*HEADER    STRUCTURAL GENOMICS, UNKNOWN FUNCTION   14-NOV-08   2KAT              
*TITLE     SOLUTION STRUCTURE OF PROTEIN BPP2914 FROM BORDETELLA                 
*TITLE    2 PARAPERTUSSIS. NORTHEAST STRUCTURAL GENOMICS CONSORTIUM              
*TITLE    3 TARGET BPR206                                                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: UNCHARACTERIZED PROTEIN;                                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: BORDETELLA PARAPERTUSSIS;                       
*SOURCE   3 ORGANISM_TAXID: 519;                                                 
*SOURCE   4 GENE: BPP2914;                                                       
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   7 EXPRESSION_SYSTEM_PLASMID: PET 21-23C                                
*KEYWDS    NESG, NMR, STRUCTURE, STRUCTURAL GENOMICS, PSI-2, PROTEIN             
*KEYWDS   2 STRUCTURE INITIATIVE, NORTHEAST STRUCTURAL GENOMICS                  
*KEYWDS   3 CONSORTIUM, UNKNOWN FUNCTION                                         
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    Y.WU, J.L.MILLS, D.WANG, M.JIANG, E.L.FOOTE, R.XIAO,                  
*AUTHOR   2 B.SATHYAMOORTHY, D.SUKUMARAN, R.NAIR, J.K.EVERETT, G.SWAPNA,         
*AUTHOR   3 T.B.ACTON, B.ROST, G.T.MONTELIONE, T.SZYPERSKI, NORTHEAST            
*AUTHOR   4 STRUCTURAL GENOMICS CONSORTIUM (NESG)                                
*REVDAT   1   16-DEC-08 2KAT    0                                                


assign ( resid    3 and name C    )   ( resid    4 and name N    ) 
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assign ( resid    4 and name C    )   ( resid    5 and name N    ) 
        (resid    5 and name CA   )   ( resid    5 and name C    )  1  -64.00    7.00 2
assign ( resid    5 and name N    )   ( resid    5 and name CA   ) 
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assign ( resid    5 and name C    )   ( resid    6 and name N    ) 
        (resid    6 and name CA   )   ( resid    6 and name C    )  1  -62.00    9.00 2
assign ( resid    6 and name N    )   ( resid    6 and name CA   ) 
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assign ( resid    6 and name C    )   ( resid    7 and name N    ) 
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assign ( resid    7 and name N    )   ( resid    7 and name CA   ) 
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assign ( resid    8 and name N    )   ( resid    8 and name CA   ) 
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assign ( resid   27 and name N    )   ( resid   27 and name CA   ) 
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assign ( resid   28 and name N    )   ( resid   28 and name CA   ) 
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assign ( resid   29 and name N    )   ( resid   29 and name CA   ) 
        (resid   29 and name C    )   ( resid   30 and name N    )  1  -41.00    6.00 2
assign ( resid   29 and name C    )   ( resid   30 and name N    ) 
        (resid   30 and name CA   )   ( resid   30 and name C    )  1  -65.00    6.00 2
assign ( resid   30 and name N    )   ( resid   30 and name CA   ) 
        (resid   30 and name C    )   ( resid   31 and name N    )  1  -38.00    7.00 2
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        (resid   31 and name CA   )   ( resid   31 and name C    )  1  -65.00    6.00 2
assign ( resid   31 and name N    )   ( resid   31 and name CA   ) 
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        (resid   32 and name C    )   ( resid   33 and name N    )  1   12.00    9.00 2
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        (resid   35 and name CA   )   ( resid   35 and name C    )  1  -58.00    7.00 2
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        (resid   35 and name C    )   ( resid   36 and name N    )  1  -38.00    9.00 2
assign ( resid   35 and name C    )   ( resid   36 and name N    ) 
        (resid   36 and name CA   )   ( resid   36 and name C    )  1  -62.00    9.00 2
assign ( resid   36 and name N    )   ( resid   36 and name CA   ) 
        (resid   36 and name C    )   ( resid   37 and name N    )  1  -43.00    8.00 2
assign ( resid   36 and name C    )   ( resid   37 and name N    ) 
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assign ( resid   37 and name N    )   ( resid   37 and name CA   ) 
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assign ( resid   37 and name C    )   ( resid   38 and name N    ) 
        (resid   38 and name CA   )   ( resid   38 and name C    )  1  -65.00    6.00 2
assign ( resid   38 and name N    )   ( resid   38 and name CA   ) 
        (resid   38 and name C    )   ( resid   39 and name N    )  1  -45.00    6.00 2
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        (resid   39 and name CA   )   ( resid   39 and name C    )  1  -61.35   11.45 2
assign ( resid   39 and name N    )   ( resid   39 and name CA   ) 
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        (resid   41 and name CA   )   ( resid   41 and name C    )  1  -64.00    7.00 2
assign ( resid   41 and name N    )   ( resid   41 and name CA   ) 
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assign ( resid   41 and name C    )   ( resid   42 and name N    ) 
        (resid   42 and name CA   )   ( resid   42 and name C    )  1  -63.00    8.00 2
assign ( resid   42 and name N    )   ( resid   42 and name CA   ) 
        (resid   42 and name C    )   ( resid   43 and name N    )  1  -41.00    6.00 2
assign ( resid   42 and name C    )   ( resid   43 and name N    ) 
        (resid   43 and name CA   )   ( resid   43 and name C    )  1  -65.00    6.00 2
assign ( resid   43 and name N    )   ( resid   43 and name CA   ) 
        (resid   43 and name C    )   ( resid   44 and name N    )  1  -42.00    9.00 2
assign ( resid   43 and name C    )   ( resid   44 and name N    ) 
        (resid   44 and name CA   )   ( resid   44 and name C    )  1  -66.00    7.00 2
assign ( resid   44 and name N    )   ( resid   44 and name CA   ) 
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assign ( resid   44 and name C    )   ( resid   45 and name N    ) 
        (resid   45 and name CA   )   ( resid   45 and name C    )  1  -63.00    6.00 2
assign ( resid   45 and name N    )   ( resid   45 and name CA   ) 
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assign ( resid   45 and name C    )   ( resid   46 and name N    ) 
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assign ( resid   46 and name N    )   ( resid   46 and name CA   ) 
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assign ( resid   46 and name C    )   ( resid   47 and name N    ) 
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assign ( resid   47 and name N    )   ( resid   47 and name CA   ) 
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assign ( resid   47 and name C    )   ( resid   48 and name N    ) 
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assign ( resid   48 and name N    )   ( resid   48 and name CA   ) 
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assign ( resid   53 and name N    )   ( resid   53 and name CA   ) 
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assign ( resid   53 and name C    )   ( resid   54 and name N    ) 
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assign ( resid   54 and name N    )   ( resid   54 and name CA   ) 
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assign ( resid   55 and name N    )   ( resid   55 and name CA   ) 
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assign ( resid   55 and name C    )   ( resid   56 and name N    ) 
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assign ( resid   56 and name N    )   ( resid   56 and name CA   ) 
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assign ( resid   57 and name C    )   ( resid   58 and name N    ) 
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assign ( resid   58 and name N    )   ( resid   58 and name CA   ) 
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assign ( resid   59 and name N    )   ( resid   59 and name CA   ) 
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        (resid   60 and name CA   )   ( resid   60 and name C    )  1  -64.00    7.00 2
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assign ( resid   61 and name N    )   ( resid   61 and name CA   ) 
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assign ( resid   61 and name C    )   ( resid   62 and name N    ) 
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assign ( resid   62 and name N    )   ( resid   62 and name CA   ) 
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assign ( resid   63 and name N    )   ( resid   63 and name CA   ) 
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assign ( resid   70 and name N    )   ( resid   70 and name CA   ) 
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assign ( resid   70 and name C    )   ( resid   71 and name N    ) 
        (resid   71 and name CA   )   ( resid   71 and name C    )  1  -65.00    6.00 2
assign ( resid   71 and name N    )   ( resid   71 and name CA   ) 
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assign ( resid   71 and name C    )   ( resid   72 and name N    ) 
        (resid   72 and name CA   )   ( resid   72 and name C    )  1  -61.00    6.00 2
assign ( resid   72 and name N    )   ( resid   72 and name CA   ) 
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assign ( resid   72 and name C    )   ( resid   73 and name N    ) 
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assign ( resid   73 and name N    )   ( resid   73 and name CA   ) 
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        (resid   74 and name CA   )   ( resid   74 and name C    )  1  -63.00    6.00 2
assign ( resid   74 and name N    )   ( resid   74 and name CA   ) 
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assign ( resid   74 and name C    )   ( resid   75 and name N    ) 
        (resid   75 and name CA   )   ( resid   75 and name C    )  1  -61.00    6.00 2
assign ( resid   75 and name N    )   ( resid   75 and name CA   ) 
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assign ( resid   76 and name N    )   ( resid   76 and name CA   ) 
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assign ( resid   76 and name C    )   ( resid   77 and name N    ) 
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assign ( resid   77 and name N    )   ( resid   77 and name CA   ) 
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assign ( resid   77 and name C    )   ( resid   78 and name N    ) 
        (resid   78 and name CA   )   ( resid   78 and name C    )  1  -66.00    7.00 2
assign ( resid   78 and name N    )   ( resid   78 and name CA   ) 
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        (resid   80 and name CA   )   ( resid   80 and name C    )  1  -61.00    6.00 2
assign ( resid   80 and name N    )   ( resid   80 and name CA   ) 
        (resid   80 and name C    )   ( resid   81 and name N    )  1  -41.00   12.00 2
assign ( resid   80 and name C    )   ( resid   81 and name N    ) 
        (resid   81 and name CA   )   ( resid   81 and name C    )  1  -61.00    6.00 2
assign ( resid   81 and name N    )   ( resid   81 and name CA   ) 
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assign ( resid   81 and name C    )   ( resid   82 and name N    ) 
        (resid   82 and name CA   )   ( resid   82 and name C    )  1  -65.00    8.00 2
assign ( resid   82 and name N    )   ( resid   82 and name CA   ) 
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assign ( resid   82 and name C    )   ( resid   83 and name N    ) 
        (resid   83 and name CA   )   ( resid   83 and name C    )  1  -65.00    8.00 2
assign ( resid   83 and name N    )   ( resid   83 and name CA   ) 
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assign ( resid   83 and name C    )   ( resid   84 and name N    ) 
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assign ( resid   84 and name N    )   ( resid   84 and name CA   ) 
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assign ( resid   85 and name N    )   ( resid   85 and name CA   ) 
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assign ( resid   85 and name C    )   ( resid   86 and name N    ) 
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assign ( resid   86 and name N    )   ( resid   86 and name CA   ) 
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assign ( resid   89 and name N    )   ( resid   89 and name CA   ) 
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assign ( resid   89 and name C    )   ( resid   90 and name N    ) 
        (resid   90 and name CA   )   ( resid   90 and name C    )  1  -65.00    8.00 2
assign ( resid   90 and name N    )   ( resid   90 and name CA   ) 
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assign ( resid   90 and name C    )   ( resid   91 and name N    ) 
        (resid   91 and name CA   )   ( resid   91 and name C    )  1  -65.00    8.00 2
assign ( resid   91 and name N    )   ( resid   91 and name CA   ) 
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assign ( resid   91 and name C    )   ( resid   92 and name N    ) 
        (resid   92 and name CA   )   ( resid   92 and name C    )  1  -65.00    6.00 2
assign ( resid   92 and name N    )   ( resid   92 and name CA   ) 
        (resid   92 and name C    )   ( resid   93 and name N    )  1  -46.00    7.00 2
assign ( resid   92 and name C    )   ( resid   93 and name N    ) 
        (resid   93 and name CA   )   ( resid   93 and name C    )  1  -60.00    7.00 2
assign ( resid   93 and name N    )   ( resid   93 and name CA   ) 
        (resid   93 and name C    )   ( resid   94 and name N    )  1  -40.00    9.00 2
assign ( resid   93 and name C    )   ( resid   94 and name N    ) 
        (resid   94 and name CA   )   ( resid   94 and name C    )  1  -66.00    7.00 2
assign ( resid   94 and name N    )   ( resid   94 and name CA   ) 
        (resid   94 and name C    )   ( resid   95 and name N    )  1  -41.00    8.00 2
assign ( resid   94 and name C    )   ( resid   95 and name N    ) 
        (resid   95 and name CA   )   ( resid   95 and name C    )  1  -63.00    6.00 2
assign ( resid   95 and name N    )   ( resid   95 and name CA   ) 
        (resid   95 and name C    )   ( resid   96 and name N    )  1  -39.00    6.00 2
assign ( resid   95 and name C    )   ( resid   96 and name N    ) 
        (resid   96 and name CA   )   ( resid   96 and name C    )  1  -63.00    6.00 2
assign ( resid   96 and name N    )   ( resid   96 and name CA   ) 
        (resid   96 and name C    )   ( resid   97 and name N    )  1  -37.00   10.00 2
assign ( resid   96 and name C    )   ( resid   97 and name N    ) 
        (resid   97 and name CA   )   ( resid   97 and name C    )  1  -67.00    6.00 2
assign ( resid   97 and name N    )   ( resid   97 and name CA   ) 
        (resid   97 and name C    )   ( resid   98 and name N    )  1  -45.00    6.00 2
assign ( resid   97 and name C    )   ( resid   98 and name N    ) 
        (resid   98 and name CA   )   ( resid   98 and name C    )  1  -61.00    6.00 2
assign ( resid   98 and name N    )   ( resid   98 and name CA   ) 
        (resid   98 and name C    )   ( resid   99 and name N    )  1  -39.00    8.00 2
assign ( resid   98 and name C    )   ( resid   99 and name N    ) 
        (resid   99 and name CA   )   ( resid   99 and name C    )  1  -62.00    7.00 2
assign ( resid   99 and name N    )   ( resid   99 and name CA   ) 
        (resid   99 and name C    )   ( resid  100 and name N    )  1  -40.00    7.00 2
assign ( resid   99 and name C    )   ( resid  100 and name N    ) 
        (resid  100 and name CA   )   ( resid  100 and name C    )  1  -70.00    5.00 2
assign ( resid  100 and name N    )   ( resid  100 and name CA   ) 
        (resid  100 and name C    )   ( resid  101 and name N    )  1  -46.00    1.00 2
assign ( resid  100 and name C    )   ( resid  101 and name N    ) 
        (resid  101 and name CA   )   ( resid  101 and name C    )  1  -65.00    8.00 2
assign ( resid  101 and name N    )   ( resid  101 and name CA   ) 
        (resid  101 and name C    )   ( resid  102 and name N    )  1  -41.00    6.00 2
assign ( resid  101 and name C    )   ( resid  102 and name N    ) 
        (resid  102 and name CA   )   ( resid  102 and name C    )  1  -60.00    7.00 2
assign ( resid  102 and name N    )   ( resid  102 and name CA   ) 
        (resid  102 and name C    )   ( resid  103 and name N    )  1  -39.00    6.00 2
assign ( resid  102 and name C    )   ( resid  103 and name N    ) 
        (resid  103 and name CA   )   ( resid  103 and name C    )  1  -62.00    9.00 2
assign ( resid  103 and name N    )   ( resid  103 and name CA   ) 
        (resid  103 and name C    )   ( resid  104 and name N    )  1  -43.00   10.00 2
assign ( resid  103 and name C    )   ( resid  104 and name N    ) 
        (resid  104 and name CA   )   ( resid  104 and name C    )  1  -65.00    8.00 2
assign ( resid  104 and name N    )   ( resid  104 and name CA   ) 
        (resid  104 and name C    )   ( resid  105 and name N    )  1  -38.00    9.00 2
assign ( resid  104 and name C    )   ( resid  105 and name N    ) 
        (resid  105 and name CA   )   ( resid  105 and name C    )  1  -69.00    6.00 2
assign ( resid  105 and name N    )   ( resid  105 and name CA   ) 
        (resid  105 and name C    )   ( resid  106 and name N    )  1  -39.00    8.00 2
assign ( resid  105 and name C    )   ( resid  106 and name N    ) 
        (resid  106 and name CA   )   ( resid  106 and name C    )  1  -63.00    8.00 2
assign ( resid  106 and name N    )   ( resid  106 and name CA   ) 
        (resid  106 and name C    )   ( resid  107 and name N    )  1  -41.00    6.00 2
assign ( resid  106 and name C    )   ( resid  107 and name N    ) 
        (resid  107 and name CA   )   ( resid  107 and name C    )  1  -64.00    9.00 2
assign ( resid  107 and name N    )   ( resid  107 and name CA   ) 
        (resid  107 and name C    )   ( resid  108 and name N    )  1  -41.00   12.00 2
assign ( resid  107 and name C    )   ( resid  108 and name N    ) 
        (resid  108 and name CA   )   ( resid  108 and name C    )  1  -66.55   13.05 2
assign ( resid  108 and name N    )   ( resid  108 and name CA   ) 
        (resid  108 and name C    )   ( resid  109 and name N    )  1  -30.85   22.15 2
assign ( resid    1 and name C    )   ( resid    2 and name N    ) 
        (resid    2 and name CA   )   ( resid    2 and name C    )  1 -115.00   70.00 2
assign ( resid    2 and name N    )   ( resid    2 and name CA   ) 
        (resid    2 and name C    )   ( resid    3 and name N    )  1  165.00   30.00 2
assign ( resid    2 and name C    )   ( resid    3 and name N    ) 
        (resid    3 and name CA   )   ( resid    3 and name C    )  1 -180.00  135.00 2
assign ( resid    2 and name C    )   ( resid    3 and name N    ) 
        (resid    3 and name CA   )   ( resid    3 and name C    )  1  -55.00  130.00 2
assign ( resid    3 and name N    )   ( resid    3 and name CA   ) 
        (resid    3 and name C    )   ( resid    4 and name N    )  1  115.00   90.00 2
assign ( resid   14 and name C    )   ( resid   15 and name N    ) 
        (resid   15 and name CA   )   ( resid   15 and name C    )  1 -180.00  135.00 2
assign ( resid   15 and name N    )   ( resid   15 and name CA   ) 
        (resid   15 and name C    )   ( resid   16 and name N    )  1 -180.00  175.00 2
assign ( resid   15 and name N    )   ( resid   15 and name CA   ) 
        (resid   15 and name C    )   ( resid   16 and name N    )  1    0.00  105.00 2
assign ( resid   15 and name C    )   ( resid   16 and name N    ) 
        (resid   16 and name CA   )   ( resid   16 and name C    )  1  165.00  120.00 2
assign ( resid   15 and name C    )   ( resid   16 and name N    ) 
        (resid   16 and name CA   )   ( resid   16 and name C    )  1  -55.00  120.00 2
assign ( resid   16 and name N    )   ( resid   16 and name CA   ) 
        (resid   16 and name C    )   ( resid   17 and name N    )  1   70.00   45.00 2
assign ( resid   16 and name N    )   ( resid   16 and name CA   ) 
        (resid   16 and name C    )   ( resid   17 and name N    )  1 -120.00  175.00 2
assign ( resid   16 and name C    )   ( resid   17 and name N    ) 
        (resid   17 and name CA   )   ( resid   17 and name C    )  1 -180.00  135.00 2
assign ( resid   16 and name C    )   ( resid   17 and name N    ) 
        (resid   17 and name CA   )   ( resid   17 and name C    )  1  -60.00  125.00 2
assign ( resid   17 and name N    )   ( resid   17 and name CA   ) 
        (resid   17 and name C    )   ( resid   18 and name N    )  1   60.00  145.00 2
assign ( resid   17 and name C    )   ( resid   18 and name N    ) 
        (resid   18 and name CA   )   ( resid   18 and name C    )  1 -180.00  135.00 2
assign ( resid   17 and name C    )   ( resid   18 and name N    ) 
        (resid   18 and name CA   )   ( resid   18 and name C    )  1  -55.00  130.00 2
assign ( resid   18 and name N    )   ( resid   18 and name CA   ) 
        (resid   18 and name C    )   ( resid   19 and name N    )  1 -120.00  105.00 2
assign ( resid   18 and name N    )   ( resid   18 and name CA   ) 
        (resid   18 and name C    )   ( resid   19 and name N    )  1   60.00  145.00 2
assign ( resid   18 and name C    )   ( resid   19 and name N    ) 
        (resid   19 and name CA   )   ( resid   19 and name C    )  1 -180.00  135.00 2
assign ( resid   18 and name C    )   ( resid   19 and name N    ) 
        (resid   19 and name CA   )   ( resid   19 and name C    )  1  -55.00  130.00 2
assign ( resid   19 and name N    )   ( resid   19 and name CA   ) 
        (resid   19 and name C    )   ( resid   20 and name N    )  1   15.00  100.00 2
assign ( resid   19 and name C    )   ( resid   20 and name N    ) 
        (resid   20 and name CA   )   ( resid   20 and name C    )  1 -180.00  135.00 2
assign ( resid   19 and name C    )   ( resid   20 and name N    ) 
        (resid   20 and name CA   )   ( resid   20 and name C    )  1  -55.00  130.00 2
assign ( resid   20 and name N    )   ( resid   20 and name CA   ) 
        (resid   20 and name C    )   ( resid   21 and name N    )  1   15.00  100.00 2
assign ( resid   20 and name C    )   ( resid   21 and name N    ) 
        (resid   21 and name CA   )   ( resid   21 and name C    )  1 -180.00  135.00 2
assign ( resid   20 and name C    )   ( resid   21 and name N    ) 
        (resid   21 and name CA   )   ( resid   21 and name C    )  1  -55.00  130.00 2
assign ( resid   21 and name N    )   ( resid   21 and name CA   ) 
        (resid   21 and name C    )   ( resid   22 and name N    )  1   25.00  110.00 2
assign ( resid   21 and name C    )   ( resid   22 and name N    ) 
        (resid   22 and name CA   )   ( resid   22 and name C    )  1 -180.00  135.00 2
assign ( resid   21 and name C    )   ( resid   22 and name N    ) 
        (resid   22 and name CA   )   ( resid   22 and name C    )  1  -55.00  130.00 2
assign ( resid   22 and name N    )   ( resid   22 and name CA   ) 
        (resid   22 and name C    )   ( resid   23 and name N    )  1   55.00  140.00 2
assign ( resid   32 and name C    )   ( resid   33 and name N    ) 
        (resid   33 and name CA   )   ( resid   33 and name C    )  1 -180.00  135.00 2
assign ( resid   32 and name C    )   ( resid   33 and name N    ) 
        (resid   33 and name CA   )   ( resid   33 and name C    )  1  -55.00  130.00 2
assign ( resid   33 and name N    )   ( resid   33 and name CA   ) 
        (resid   33 and name C    )   ( resid   34 and name N    )  1   10.00   95.00 2
assign ( resid   33 and name C    )   ( resid   34 and name N    ) 
        (resid   34 and name CA   )   ( resid   34 and name C    )  1  170.00  125.00 2
assign ( resid   33 and name C    )   ( resid   34 and name N    ) 
        (resid   34 and name CA   )   ( resid   34 and name C    )  1  -55.00  130.00 2
assign ( resid   34 and name N    )   ( resid   34 and name CA   ) 
        (resid   34 and name C    )   ( resid   35 and name N    )  1   75.00   60.00 2
assign ( resid   34 and name N    )   ( resid   34 and name CA   ) 
        (resid   34 and name C    )   ( resid   35 and name N    )  1 -120.00  165.00 2
assign ( resid   40 and name N    )   ( resid   40 and name CA   ) 
        (resid   40 and name C    )   ( resid   41 and name N    )  1  -35.00   20.00 2
assign ( resid   48 and name C    )   ( resid   49 and name N    ) 
        (resid   49 and name CA   )   ( resid   49 and name C    )  1 -180.00  135.00 2
assign ( resid   48 and name C    )   ( resid   49 and name N    ) 
        (resid   49 and name CA   )   ( resid   49 and name C    )  1  -55.00  130.00 2
assign ( resid   49 and name N    )   ( resid   49 and name CA   ) 
        (resid   49 and name C    )   ( resid   50 and name N    )  1  110.00   55.00 2
assign ( resid   49 and name N    )   ( resid   49 and name CA   ) 
        (resid   49 and name C    )   ( resid   50 and name N    )  1  -65.00  150.00 2
assign ( resid   50 and name N    )   ( resid   50 and name CA   ) 
        (resid   50 and name C    )   ( resid   51 and name N    )  1  -30.00   25.00 2
assign ( resid   50 and name C    )   ( resid   51 and name N    ) 
        (resid   51 and name CA   )   ( resid   51 and name C    )  1 -180.00  135.00 2
assign ( resid   50 and name C    )   ( resid   51 and name N    ) 
        (resid   51 and name CA   )   ( resid   51 and name C    )  1  -55.00  130.00 2
assign ( resid   51 and name N    )   ( resid   51 and name CA   ) 
        (resid   51 and name C    )   ( resid   52 and name N    )  1   10.00   95.00 2
assign ( resid   51 and name C    )   ( resid   52 and name N    ) 
        (resid   52 and name CA   )   ( resid   52 and name C    )  1 -180.00  135.00 2
assign ( resid   51 and name C    )   ( resid   52 and name N    ) 
        (resid   52 and name CA   )   ( resid   52 and name C    )  1  -55.00  120.00 2
assign ( resid   52 and name N    )   ( resid   52 and name CA   ) 
        (resid   52 and name C    )   ( resid   53 and name N    )  1   95.00  100.00 2
assign ( resid   64 and name C    )   ( resid   65 and name N    ) 
        (resid   65 and name CA   )   ( resid   65 and name C    )  1 -180.00  135.00 2
assign ( resid   65 and name N    )   ( resid   65 and name CA   ) 
        (resid   65 and name C    )   ( resid   66 and name N    )  1    0.00  125.00 2
assign ( resid   65 and name C    )   ( resid   66 and name N    ) 
        (resid   66 and name CA   )   ( resid   66 and name C    )  1 -180.00  135.00 2
assign ( resid   65 and name C    )   ( resid   66 and name N    ) 
        (resid   66 and name CA   )   ( resid   66 and name C    )  1  -55.00  130.00 2
assign ( resid   66 and name N    )   ( resid   66 and name CA   ) 
        (resid   66 and name C    )   ( resid   67 and name N    )  1   10.00   95.00 2
assign ( resid   66 and name C    )   ( resid   67 and name N    ) 
        (resid   67 and name CA   )   ( resid   67 and name C    )  1 -180.00  135.00 2
assign ( resid   67 and name N    )   ( resid   67 and name CA   ) 
        (resid   67 and name C    )   ( resid   68 and name N    )  1    0.00  105.00 2
assign ( resid   78 and name C    )   ( resid   79 and name N    ) 
        (resid   79 and name CA   )   ( resid   79 and name C    )  1 -180.00  135.00 2
assign ( resid   86 and name C    )   ( resid   87 and name N    ) 
        (resid   87 and name CA   )   ( resid   87 and name C    )  1 -180.00  135.00 2
assign ( resid   87 and name N    )   ( resid   87 and name CA   ) 
        (resid   87 and name C    )   ( resid   88 and name N    )  1    0.00   95.00 2
assign ( resid   87 and name C    )   ( resid   88 and name N    ) 
        (resid   88 and name CA   )   ( resid   88 and name C    )  1 -180.00  135.00 2
assign ( resid   87 and name C    )   ( resid   88 and name N    ) 
        (resid   88 and name CA   )   ( resid   88 and name C    )  1  -60.00  125.00 2
assign ( resid   88 and name N    )   ( resid   88 and name CA   ) 
        (resid   88 and name C    )   ( resid   89 and name N    )  1   20.00  105.00 2
assign ( resid    2 and name HB1  )   ( resid    3 and name HN   )   2.80  1.00  1.00
assign ( resid    6 and name HN   )   ( resid    7 and name HN   )   2.55  0.75  0.75
assign ( resid    6 and name HB1  )   ( resid    7 and name HN   )   3.07  1.27  1.27
assign ( resid    8 and name HB2  )   ( resid    9 and name HN   )   3.18  1.38  1.38
assign ( resid    8 and name HB1  )   ( resid    9 and name HN   )   3.18  1.38  1.38
assign ( resid    9 and name HN   )   ( resid   10 and name HN   )   2.64  0.84  0.84
assign ( resid    9 and name HB2  )   ( resid   10 and name HN   )   3.00  1.20  1.20
assign ( resid    9 and name HB1  )   ( resid   10 and name HN   )   3.00  1.20  1.20
assign ( resid   12 and name HB2  )   ( resid   13 and name HN   )   2.80  1.00  1.00
assign ( resid   12 and name HB1  )   ( resid   13 and name HN   )   2.80  1.00  1.00
assign ( resid   14 and name HA   )   ( resid   15 and name HN   )   2.66  0.86  0.86
assign ( resid   14 and name HB2  )   ( resid   15 and name HN   )   3.16  1.36  1.36
assign ( resid   14 and name HB1  )   ( resid   15 and name HN   )   3.16  1.36  1.36
assign ( resid   15 and name HN   )   ( resid   16 and name HN   )   2.40  0.61  0.61
assign ( resid   16 and name HA   )   ( resid   17 and name HN   )   2.26  0.46  0.46
assign ( resid   18 and name HA   )   ( resid   19 and name HN   )   2.67  0.88  0.88
assign ( resid   18 and name HB1  )   ( resid   19 and name HN   )   2.71  0.91  0.91
assign ( resid   19 and name HN   )   ( resid   20 and name HN   )   2.69  0.90  0.90
assign ( resid   22 and name HN   )   ( resid   23 and name HN   )   3.03  1.24  1.24
assign ( resid   24 and name HN   )   ( resid   25 and name HN   )   3.00  1.20  1.20
assign ( resid   26 and name HN   )   ( resid   27 and name HN   )   2.67  0.88  0.88
assign ( resid   27 and name HB2  )   ( resid   28 and name HN   )   3.16  1.36  1.36
assign ( resid   27 and name HB1  )   ( resid   28 and name HN   )   3.16  1.36  1.36
assign ( resid   30 and name HN   )   ( resid   31 and name HN   )   2.71  0.91  0.91
assign ( resid   33 and name HN   )   ( resid   34 and name HN   )   2.58  0.79  0.79
assign ( resid   34 and name HN   )   ( resid   35 and name HN   )   2.84  1.04  1.04
assign ( resid   34 and name HA   )   ( resid   35 and name HN   )   2.37  0.57  0.57
assign ( resid   35 and name HN   )   ( resid   36 and name HN   )   2.60  0.81  0.81
assign ( resid   35 and name HB1  )   ( resid   36 and name HN   )   2.98  1.18  1.18
assign ( resid   35 and name HB2  )   ( resid   36 and name HN   )   2.64  0.84  0.84
assign ( resid   36 and name HB2  )   ( resid   37 and name HN   )   2.71  0.91  0.91
assign ( resid   36 and name HB1  )   ( resid   37 and name HN   )   2.71  0.91  0.91
assign ( resid   40 and name HB2  )   ( resid   41 and name HN   )   3.05  1.26  1.26
assign ( resid   43 and name HN   )   ( resid   44 and name HN   )   2.62  0.82  0.82
assign ( resid   46 and name HN   )   ( resid   47 and name HN   )   2.58  0.79  0.79
assign ( resid   46 and name HB1  )   ( resid   47 and name HN   )   3.11  1.31  1.31
assign ( resid   47 and name HN   )   ( resid   48 and name HN   )   2.46  0.66  0.66
assign ( resid   47 and name HB2  )   ( resid   48 and name HN   )   2.75  0.95  0.95
assign ( resid   47 and name HB1  )   ( resid   48 and name HN   )   2.75  0.95  0.95
assign ( resid   48 and name HB*  )   ( resid   49 and name HN   )   3.13  1.34  1.34
assign ( resid   51 and name HN   )   ( resid   52 and name HN   )   2.53  0.73  0.73
assign ( resid   51 and name HB   )   ( resid   52 and name HN   )   3.14  1.35  1.35
assign ( resid   52 and name HN   )   ( resid   53 and name HN   )   3.07  1.27  1.27
assign ( resid   52 and name HA   )   ( resid   53 and name HN   )   2.46  0.66  0.66
assign ( resid   53 and name HN   )   ( resid   54 and name HN   )   2.93  1.13  1.13
assign ( resid   53 and name HB2  )   ( resid   54 and name HN   )   3.43  1.63  1.63
assign ( resid   53 and name HB1  )   ( resid   54 and name HN   )   3.43  1.63  1.63
assign ( resid   55 and name HN   )   ( resid   56 and name HN   )   2.51  0.72  0.72
assign ( resid   56 and name HN   )   ( resid   57 and name HN   )   2.73  0.93  0.93
assign ( resid   56 and name HB2  )   ( resid   57 and name HN   )   2.78  0.99  0.99
assign ( resid   56 and name HB1  )   ( resid   57 and name HN   )   2.78  0.99  0.99
assign ( resid   57 and name HN   )   ( resid   58 and name HN   )   2.82  1.02  1.02
assign ( resid   58 and name HN   )   ( resid   59 and name HN   )   2.87  1.08  1.08
assign ( resid   59 and name HB2  )   ( resid   60 and name HN   )   2.85  1.06  1.06
assign ( resid   59 and name HB1  )   ( resid   60 and name HN   )   2.53  0.73  0.73
assign ( resid   60 and name HN   )   ( resid   61 and name HN   )   2.78  0.99  0.99
assign ( resid   63 and name HN   )   ( resid   64 and name HN   )   2.67  0.88  0.88
assign ( resid   64 and name HN   )   ( resid   65 and name HN   )   2.69  0.90  0.90
assign ( resid   64 and name HB2  )   ( resid   65 and name HN   )   2.82  1.02  1.02
assign ( resid   64 and name HB1  )   ( resid   65 and name HN   )   2.82  1.02  1.02
assign ( resid   68 and name HA   )   ( resid   69 and name HN   )   2.33  0.54  0.54
assign ( resid   69 and name HB2  )   ( resid   70 and name HN   )   2.98  1.18  1.18
assign ( resid   69 and name HB1  )   ( resid   70 and name HN   )   2.98  1.18  1.18
assign ( resid   71 and name HN   )   ( resid   72 and name HN   )   2.60  0.81  0.81
assign ( resid   73 and name HN   )   ( resid   74 and name HN   )   2.51  0.72  0.72
assign ( resid   74 and name HN   )   ( resid   75 and name HN   )   2.49  0.70  0.70
assign ( resid   76 and name HN   )   ( resid   77 and name HN   )   2.60  0.81  0.81
assign ( resid   76 and name HB1  )   ( resid   77 and name HN   )   3.27  1.47  1.47
assign ( resid   76 and name HB2  )   ( resid   77 and name HN   )   3.02  1.22  1.22
assign ( resid   77 and name HB2  )   ( resid   78 and name HN   )   2.71  0.91  0.91
assign ( resid   77 and name HB1  )   ( resid   78 and name HN   )   2.71  0.91  0.91
assign ( resid   78 and name HN   )   ( resid   79 and name HN   )   2.64  0.84  0.84
assign ( resid   80 and name HN   )   ( resid   81 and name HN   )   2.75  0.95  0.95
assign ( resid   80 and name HB1  )   ( resid   81 and name HN   )   2.48  0.68  0.68
assign ( resid   80 and name HB2  )   ( resid   81 and name HN   )   2.51  0.72  0.72
assign ( resid   81 and name HN   )   ( resid   82 and name HN   )   2.46  0.66  0.66
assign ( resid   83 and name HN   )   ( resid   84 and name HN   )   2.57  0.77  0.77
assign ( resid   84 and name HN   )   ( resid   85 and name HN   )   2.55  0.75  0.75
assign ( resid   84 and name HB2  )   ( resid   85 and name HN   )   2.62  0.82  0.82
assign ( resid   84 and name HB1  )   ( resid   85 and name HN   )   2.62  0.82  0.82
assign ( resid   85 and name HA   )   ( resid   86 and name HN   )   2.64  0.84  0.84
assign ( resid   86 and name HN   )   ( resid   87 and name HN   )   2.46  0.66  0.66
assign ( resid   86 and name HB2  )   ( resid   87 and name HN   )   3.43  1.63  1.63
assign ( resid   86 and name HB1  )   ( resid   87 and name HN   )   3.43  1.63  1.63
assign ( resid   87 and name HN   )   ( resid   88 and name HN   )   2.39  0.59  0.59
assign ( resid   87 and name HA2  )   ( resid   88 and name HN   )   2.58  0.79  0.79
assign ( resid   87 and name HA1  )   ( resid   88 and name HN   )   2.58  0.79  0.79
assign ( resid   88 and name HN   )   ( resid   89 and name HN   )   2.76  0.97  0.97
assign ( resid   90 and name HB2  )   ( resid   91 and name HN   )   2.84  1.04  1.04
assign ( resid   91 and name HN   )   ( resid   92 and name HN   )   2.49  0.70  0.70
assign ( resid   91 and name HB   )   ( resid   92 and name HN   )   2.35  0.55  0.55
assign ( resid   92 and name HB   )   ( resid   93 and name HN   )   2.49  0.70  0.70
assign ( resid   94 and name HN   )   ( resid   95 and name HN   )   2.62  0.82  0.82
assign ( resid   94 and name HB1  )   ( resid   95 and name HN   )   2.78  0.99  0.99
assign ( resid   97 and name HB   )   ( resid   98 and name HN   )   2.55  0.75  0.75
assign ( resid   98 and name HB2  )   ( resid   99 and name HN   )   3.03  1.24  1.24
assign ( resid  100 and name HN   )   ( resid  101 and name HN   )   2.53  0.73  0.73
assign ( resid  103 and name HN   )   ( resid  104 and name HN   )   2.46  0.66  0.66
assign ( resid  104 and name HB*  )   ( resid  105 and name HN   )   2.83  1.03  1.03
assign ( resid  105 and name HB2  )   ( resid  106 and name HN   )   2.64  0.84  0.84
assign ( resid  105 and name HB1  )   ( resid  106 and name HN   )   2.69  0.90  0.90
assign ( resid  106 and name HB1  )   ( resid  107 and name HN   )   2.69  0.90  0.90
assign ( resid  108 and name HB2  )   ( resid  109 and name HN   )   3.05  1.26  1.26
assign ( resid  108 and name HB1  )   ( resid  109 and name HN   )   3.05  1.26  1.26
assign ( resid  109 and name HN   )   ( resid  110 and name HN   )   2.35  0.55  0.55
assign ( resid  110 and name HN   )   ( resid  111 and name HN   )   2.35  0.55  0.55
assign ( resid  110 and name HA   )   ( resid  111 and name HN   )   2.51  0.72  0.72
assign ( resid  112 and name HN   )   ( resid  113 and name HN   )   2.49  0.70  0.70
assign ( resid    2 and name HN   )   ( resid    2 and name HB2  )   2.58  0.79  0.79
assign ( resid    2 and name HN   )   ( resid    2 and name HB1  )   2.58  0.79  0.79
assign ( resid    6 and name HN   )   ( resid    6 and name HB2  )   2.67  0.88  0.88
assign ( resid    6 and name HN   )   ( resid    6 and name HB1  )   2.67  0.88  0.88
assign ( resid    8 and name HN   )   ( resid    8 and name HB2  )   2.82  1.02  1.02
assign ( resid    8 and name HN   )   ( resid    8 and name HB1  )   2.82  1.02  1.02
assign ( resid    9 and name HN   )   ( resid    9 and name HB2  )   2.73  0.93  0.93
assign ( resid    9 and name HN   )   ( resid    9 and name HB1  )   2.73  0.93  0.93
assign ( resid   11 and name HN   )   ( resid   11 and name HB2  )   2.64  0.84  0.84
assign ( resid   11 and name HN   )   ( resid   11 and name HB1  )   2.64  0.84  0.84
assign ( resid   13 and name HN   )   ( resid   13 and name HA   )   2.37  0.57  0.57
assign ( resid   14 and name HN   )   ( resid   14 and name HB1  )   2.73  0.93  0.93
assign ( resid   16 and name HN   )   ( resid   16 and name HB   )   2.60  0.81  0.81
assign ( resid   17 and name HN   )   ( resid   17 and name HB2  )   2.69  0.90  0.90
assign ( resid   17 and name HN   )   ( resid   17 and name HB1  )   2.69  0.90  0.90
assign ( resid   23 and name HN   )   ( resid   23 and name HB1  )   2.75  0.95  0.95
assign ( resid   25 and name HN   )   ( resid   25 and name HB1  )   2.75  0.95  0.95
assign ( resid   27 and name HN   )   ( resid   27 and name HB2  )   2.66  0.86  0.86
assign ( resid   27 and name HN   )   ( resid   27 and name HB1  )   2.66  0.86  0.86
assign ( resid   29 and name HN   )   ( resid   29 and name HB2  )   2.94  1.15  1.15
assign ( resid   29 and name HN   )   ( resid   29 and name HB1  )   2.94  1.15  1.15
assign ( resid   31 and name HN   )   ( resid   31 and name HB1  )   2.71  0.91  0.91
assign ( resid   32 and name HN   )   ( resid   32 and name HB2  )   2.66  0.86  0.86
assign ( resid   32 and name HN   )   ( resid   32 and name HB1  )   2.66  0.86  0.86
assign ( resid   33 and name HN   )   ( resid   33 and name HB1  )   2.89  1.09  1.09
assign ( resid   34 and name HN   )   ( resid   34 and name HB2  )   2.91  1.11  1.11
assign ( resid   34 and name HN   )   ( resid   34 and name HB1  )   2.91  1.11  1.11
assign ( resid   35 and name HN   )   ( resid   35 and name HB1  )   2.82  1.02  1.02
assign ( resid   35 and name HN   )   ( resid   35 and name HB2  )   2.64  0.84  0.84
assign ( resid   36 and name HN   )   ( resid   36 and name HB2  )   2.53  0.73  0.73
assign ( resid   36 and name HN   )   ( resid   36 and name HB1  )   2.53  0.73  0.73
assign ( resid   39 and name HN   )   ( resid   39 and name HB2  )   2.58  0.79  0.79
assign ( resid   39 and name HN   )   ( resid   39 and name HB1  )   2.66  0.86  0.86
assign ( resid   41 and name HN   )   ( resid   41 and name HB2  )   2.80  1.00  1.00
assign ( resid   41 and name HN   )   ( resid   41 and name HB1  )   2.80  1.00  1.00
assign ( resid   43 and name HN   )   ( resid   43 and name HB2  )   2.58  0.79  0.79
assign ( resid   43 and name HN   )   ( resid   43 and name HB1  )   2.58  0.79  0.79
assign ( resid   46 and name HN   )   ( resid   46 and name HB1  )   2.71  0.91  0.91
assign ( resid   46 and name HN   )   ( resid   46 and name HB2  )   2.66  0.86  0.86
assign ( resid   47 and name HN   )   ( resid   47 and name HB1  )   2.51  0.72  0.72
assign ( resid   49 and name HN   )   ( resid   49 and name HB2  )   2.73  0.93  0.93
assign ( resid   49 and name HN   )   ( resid   49 and name HB1  )   2.73  0.93  0.93
assign ( resid   52 and name HN   )   ( resid   52 and name HB2  )   2.57  0.77  0.77
assign ( resid   52 and name HN   )   ( resid   52 and name HB1  )   2.57  0.77  0.77
assign ( resid   53 and name HN   )   ( resid   53 and name HB2  )   2.91  1.11  1.11
assign ( resid   53 and name HN   )   ( resid   53 and name HB1  )   2.91  1.11  1.11
assign ( resid   56 and name HN   )   ( resid   56 and name HB2  )   2.73  0.93  0.93
assign ( resid   56 and name HN   )   ( resid   56 and name HB1  )   2.73  0.93  0.93
assign ( resid   57 and name HN   )   ( resid   57 and name HB1  )   2.39  0.59  0.59
assign ( resid   57 and name HN   )   ( resid   57 and name HB2  )   2.37  0.57  0.57
assign ( resid   58 and name HN   )   ( resid   58 and name HB1  )   2.75  0.95  0.95
assign ( resid   59 and name HN   )   ( resid   59 and name HB1  )   2.69  0.90  0.90
assign ( resid   61 and name HN   )   ( resid   61 and name HB2  )   2.76  0.97  0.97
assign ( resid   61 and name HN   )   ( resid   61 and name HB1  )   2.76  0.97  0.97
assign ( resid   62 and name HN   )   ( resid   62 and name HB   )   2.51  0.72  0.72
assign ( resid   63 and name HN   )   ( resid   63 and name HB1  )   2.69  0.90  0.90
assign ( resid   76 and name HN   )   ( resid   76 and name HB1  )   2.67  0.88  0.88
assign ( resid   76 and name HN   )   ( resid   76 and name HB2  )   2.62  0.82  0.82
assign ( resid   77 and name HN   )   ( resid   77 and name HB2  )   2.73  0.93  0.93
assign ( resid   77 and name HN   )   ( resid   77 and name HB1  )   2.73  0.93  0.93
assign ( resid   80 and name HN   )   ( resid   80 and name HB2  )   2.55  0.75  0.75
assign ( resid   84 and name HN   )   ( resid   84 and name HB1  )   2.64  0.84  0.84
assign ( resid   86 and name HN   )   ( resid   86 and name HB1  )   2.66  0.86  0.86
assign ( resid   88 and name HN   )   ( resid   88 and name HB2  )   2.69  0.90  0.90
assign ( resid   89 and name HN   )   ( resid   89 and name HB1  )   2.62  0.82  0.82
assign ( resid   91 and name HN   )   ( resid   91 and name HB   )   2.46  0.66  0.66
assign ( resid   92 and name HN   )   ( resid   92 and name HB   )   2.53  0.73  0.73
assign ( resid   94 and name HN   )   ( resid   94 and name HB2  )   2.51  0.72  0.72
assign ( resid   95 and name HN   )   ( resid   95 and name HB1  )   2.71  0.91  0.91
assign ( resid   97 and name HN   )   ( resid   97 and name HB   )   2.44  0.64  0.64
assign ( resid   98 and name HN   )   ( resid   98 and name HB2  )   2.80  1.00  1.00
assign ( resid  105 and name HN   )   ( resid  105 and name HB2  )   2.51  0.72  0.72
assign ( resid  105 and name HN   )   ( resid  105 and name HB1  )   2.58  0.79  0.79
assign ( resid  106 and name HN   )   ( resid  106 and name HB2  )   2.51  0.72  0.72
assign ( resid  106 and name HN   )   ( resid  106 and name HB1  )   2.51  0.72  0.72
assign ( resid  110 and name HN   )   ( resid  110 and name HA   )   2.37  0.57  0.57
assign ( resid  110 and name HN   )   ( resid  110 and name HB2  )   2.60  0.81  0.81
assign ( resid  110 and name HN   )   ( resid  110 and name HB1  )   2.60  0.81  0.81
assign ( resid    3 and name HN   )   ( resid    4 and name HN   )   3.03  1.24  1.24
assign ( resid    4 and name HN   )   ( resid    5 and name HN   )   2.69  0.90  0.90
assign ( resid    5 and name HN   )   ( resid    6 and name HN   )   2.64  0.84  0.84
assign ( resid    7 and name HN   )   ( resid    8 and name HN   )   2.49  0.70  0.70
assign ( resid    8 and name HN   )   ( resid    9 and name HN   )   2.62  0.82  0.82
assign ( resid   10 and name HN   )   ( resid   11 and name HN   )   2.55  0.75  0.75
assign ( resid   11 and name HN   )   ( resid   12 and name HN   )   2.66  0.86  0.86
assign ( resid   13 and name HN   )   ( resid   14 and name HN   )   2.51  0.72  0.72
assign ( resid   14 and name HN   )   ( resid   15 and name HN   )   2.53  0.73  0.73
assign ( resid   16 and name HN   )   ( resid   17 and name HN   )   2.73  0.93  0.93
assign ( resid   20 and name HN   )   ( resid   21 and name HN   )   2.71  0.91  0.91
assign ( resid   21 and name HN   )   ( resid   22 and name HN   )   2.84  1.04  1.04
assign ( resid   23 and name HN   )   ( resid   24 and name HN   )   3.02  1.22  1.22
assign ( resid   25 and name HN   )   ( resid   26 and name HN   )   2.93  1.13  1.13
assign ( resid   27 and name HN   )   ( resid   28 and name HN   )   2.84  1.04  1.04
assign ( resid   28 and name HN   )   ( resid   29 and name HN   )   2.82  1.02  1.02
assign ( resid   29 and name HN   )   ( resid   30 and name HN   )   2.71  0.91  0.91
assign ( resid   31 and name HN   )   ( resid   32 and name HN   )   2.69  0.90  0.90
assign ( resid   32 and name HN   )   ( resid   33 and name HN   )   2.53  0.73  0.73
assign ( resid   36 and name HN   )   ( resid   37 and name HN   )   2.46  0.66  0.66
assign ( resid   37 and name HN   )   ( resid   38 and name HN   )   2.48  0.68  0.68
assign ( resid   38 and name HN   )   ( resid   39 and name HN   )   2.64  0.84  0.84
assign ( resid   41 and name HN   )   ( resid   42 and name HN   )   2.62  0.82  0.82
assign ( resid   42 and name HN   )   ( resid   43 and name HN   )   2.62  0.82  0.82
assign ( resid   44 and name HN   )   ( resid   45 and name HN   )   2.67  0.88  0.88
assign ( resid   45 and name HN   )   ( resid   46 and name HN   )   2.66  0.86  0.86
assign ( resid   48 and name HN   )   ( resid   49 and name HN   )   2.51  0.72  0.72
assign ( resid   54 and name HN   )   ( resid   55 and name HN   )   2.58  0.79  0.79
assign ( resid   59 and name HN   )   ( resid   60 and name HN   )   2.76  0.97  0.97
assign ( resid   61 and name HN   )   ( resid   62 and name HN   )   2.69  0.90  0.90
assign ( resid   65 and name HN   )   ( resid   66 and name HN   )   2.62  0.82  0.82
assign ( resid   66 and name HN   )   ( resid   67 and name HN   )   2.53  0.73  0.73
assign ( resid   67 and name HN   )   ( resid   68 and name HN   )   2.49  0.70  0.70
assign ( resid   68 and name HN   )   ( resid   69 and name HN   )   2.87  1.08  1.08
assign ( resid   69 and name HN   )   ( resid   70 and name HN   )   2.55  0.75  0.75
assign ( resid   72 and name HN   )   ( resid   73 and name HN   )   2.62  0.82  0.82
assign ( resid   75 and name HN   )   ( resid   76 and name HN   )   2.60  0.81  0.81
assign ( resid   77 and name HN   )   ( resid   78 and name HN   )   2.66  0.86  0.86
assign ( resid   82 and name HN   )   ( resid   83 and name HN   )   2.64  0.84  0.84
assign ( resid   85 and name HN   )   ( resid   86 and name HN   )   2.44  0.64  0.64
assign ( resid   89 and name HN   )   ( resid   90 and name HN   )   2.58  0.79  0.79
assign ( resid   90 and name HN   )   ( resid   91 and name HN   )   2.49  0.70  0.70
assign ( resid   92 and name HN   )   ( resid   93 and name HN   )   2.55  0.75  0.75
assign ( resid   96 and name HN   )   ( resid   97 and name HN   )   2.53  0.73  0.73
assign ( resid   98 and name HN   )   ( resid   99 and name HN   )   2.53  0.73  0.73
assign ( resid  101 and name HN   )   ( resid  102 and name HN   )   2.57  0.77  0.77
assign ( resid  106 and name HN   )   ( resid  107 and name HN   )   2.39  0.59  0.59
assign ( resid  107 and name HN   )   ( resid  108 and name HN   )   2.42  0.63  0.63
assign ( resid  111 and name HN   )   ( resid  112 and name HN   )   2.49  0.70  0.70
assign ( resid    4 and name HA   )   ( resid    7 and name HN   )   2.89  1.09  1.09
assign ( resid    5 and name HA   )   ( resid    8 and name HN   )   2.96  1.17  1.17
assign ( resid    4 and name HA   )   ( resid    8 and name HN   )   3.09  1.29  1.29
assign ( resid    7 and name HN   )   ( resid    9 and name HN   )   3.36  1.56  1.56
assign ( resid    6 and name HA   )   ( resid    9 and name HN   )   3.45  1.65  1.65
assign ( resid    8 and name HN   )   ( resid   10 and name HN   )   3.14  1.35  1.35
assign ( resid    9 and name HN   )   ( resid   11 and name HN   )   3.32  1.53  1.53
assign ( resid   28 and name HN   )   ( resid   30 and name HN   )   3.27  1.47  1.47
assign ( resid   27 and name HA   )   ( resid   29 and name HN   )   3.48  1.69  1.69
assign ( resid   28 and name HA   )   ( resid   30 and name HN   )   3.05  1.26  1.26
assign ( resid   27 and name HA   )   ( resid   30 and name HN   )   3.23  1.44  1.44
assign ( resid   29 and name HN   )   ( resid   31 and name HN   )   3.81  2.01  2.01
assign ( resid   35 and name HN   )   ( resid   37 and name HN   )   3.12  1.33  1.33
assign ( resid   36 and name HN   )   ( resid   38 and name HN   )   3.20  1.40  1.40
assign ( resid   37 and name HN   )   ( resid   39 and name HN   )   2.94  1.15  1.15
assign ( resid   43 and name HN   )   ( resid   45 and name HN   )   3.20  1.40  1.40
assign ( resid   43 and name HA   )   ( resid   46 and name HN   )   3.29  1.49  1.49
assign ( resid   44 and name HA   )   ( resid   47 and name HN   )   2.78  0.99  0.99
assign ( resid   46 and name HA   )   ( resid   48 and name HN   )   2.98  1.18  1.18
assign ( resid   45 and name HA   )   ( resid   48 and name HN   )   3.02  1.22  1.22
assign ( resid   62 and name HA   )   ( resid   65 and name HN   )   2.82  1.02  1.02
assign ( resid   70 and name HN   )   ( resid   72 and name HN   )   3.00  1.20  1.20
assign ( resid   70 and name HA   )   ( resid   72 and name HN   )   3.25  1.45  1.45
assign ( resid   69 and name HA   )   ( resid   72 and name HN   )   3.00  1.20  1.20
assign ( resid   72 and name HN   )   ( resid   74 and name HN   )   3.02  1.22  1.22
assign ( resid   80 and name HN   )   ( resid   82 and name HN   )   3.43  1.63  1.63
assign ( resid   80 and name HA   )   ( resid   82 and name HN   )   3.02  1.22  1.22
assign ( resid   81 and name HN   )   ( resid   83 and name HN   )   3.36  1.56  1.56
assign ( resid   80 and name HA   )   ( resid   83 and name HN   )   2.85  1.06  1.06
assign ( resid   80 and name HA   )   ( resid   84 and name HN   )   3.05  1.26  1.26
assign ( resid   84 and name HN   )   ( resid   86 and name HN   )   3.20  1.40  1.40
assign ( resid   83 and name HN   )   ( resid   85 and name HN   )   3.83  2.03  2.03
assign ( resid   90 and name HN   )   ( resid   92 and name HN   )   3.07  1.27  1.27
assign ( resid   89 and name HA   )   ( resid   91 and name HN   )   3.05  1.26  1.26
assign ( resid   90 and name HA   )   ( resid   92 and name HN   )   3.16  1.36  1.36
assign ( resid   89 and name HA   )   ( resid   92 and name HN   )   2.71  0.91  0.91
assign ( resid   92 and name HN   )   ( resid   94 and name HN   )   3.25  1.45  1.45
assign ( resid   91 and name HA   )   ( resid   94 and name HN   )   2.60  0.81  0.81
assign ( resid  100 and name HN   )   ( resid  102 and name HN   )   2.85  1.06  1.06
assign ( resid  105 and name HN   )   ( resid  106 and name HN   )   2.44  0.64  0.64
assign ( resid    3 and name HA   )   ( resid    5 and name HN   )   3.29  1.49  1.49
assign ( resid    5 and name HB   )   ( resid    6 and name HN   )   3.05  1.26  1.26
assign ( resid    8 and name HA   )   ( resid   11 and name HN   )   2.94  1.15  1.15
assign ( resid   11 and name HA   )   ( resid   14 and name HN   )   2.82  1.02  1.02
assign ( resid   12 and name HN   )   ( resid   14 and name HN   )   3.16  1.36  1.36
assign ( resid   12 and name HA   )   ( resid   15 and name HN   )   3.02  1.22  1.22
assign ( resid   13 and name HA   )   ( resid   15 and name HN   )   2.93  1.13  1.13
assign ( resid   14 and name HN   )   ( resid   16 and name HN   )   2.91  1.11  1.11
assign ( resid   29 and name HB1  )   ( resid   30 and name HN   )   3.07  1.27  1.27
assign ( resid   29 and name HB2  )   ( resid   30 and name HN   )   3.07  1.27  1.27
assign ( resid   31 and name HN   )   ( resid   33 and name HN   )   3.36  1.56  1.56
assign ( resid   32 and name HN   )   ( resid   33 and name HA   )   3.32  1.53  1.53
assign ( resid   30 and name HA   )   ( resid   33 and name HN   )   3.21  1.42  1.42
assign ( resid   30 and name HA   )   ( resid   34 and name HN   )   2.60  0.81  0.81
assign ( resid   33 and name HA   )   ( resid   35 and name HN   )   2.98  1.18  1.18
assign ( resid   34 and name HA   )   ( resid   36 and name HN   )   3.14  1.35  1.35
assign ( resid   36 and name HA   )   ( resid   39 and name HN   )   3.00  1.20  1.20
assign ( resid   40 and name HA   )   ( resid   44 and name HN   )   3.09  1.29  1.29
assign ( resid   41 and name HA   )   ( resid   44 and name HN   )   3.20  1.40  1.40
assign ( resid   42 and name HA   )   ( resid   45 and name HN   )   2.73  0.93  0.93
assign ( resid   46 and name HA   )   ( resid   49 and name HN   )   2.66  0.86  0.86
assign ( resid   95 and name HB1  )   ( resid   96 and name HN   )   2.94  1.15  1.15
assign ( resid   95 and name HB2  )   ( resid   96 and name HN   )   2.94  1.15  1.15
assign ( resid   55 and name HA   )   ( resid   59 and name HN   )   2.93  1.13  1.13
assign ( resid   64 and name HA   )   ( resid   67 and name HN   )   2.94  1.15  1.15
assign ( resid   66 and name HN   )   ( resid   68 and name HN   )   2.98  1.18  1.18
assign ( resid   64 and name HA   )   ( resid   68 and name HN   )   2.94  1.15  1.15
assign ( resid   68 and name HA   )   ( resid   70 and name HN   )   2.96  1.17  1.17
assign ( resid   70 and name HA   )   ( resid   74 and name HN   )   2.96  1.17  1.17
assign ( resid   74 and name HA   )   ( resid   76 and name HN   )   3.25  1.45  1.45
assign ( resid   73 and name HA   )   ( resid   76 and name HN   )   3.00  1.20  1.20
assign ( resid   73 and name HA   )   ( resid   77 and name HN   )   3.14  1.35  1.35
assign ( resid   76 and name HN   )   ( resid   78 and name HN   )   2.91  1.11  1.11
assign ( resid   81 and name HA   )   ( resid   84 and name HN   )   2.78  0.99  0.99
assign ( resid   81 and name HA   )   ( resid   85 and name HN   )   2.69  0.90  0.90
assign ( resid   85 and name HN   )   ( resid   87 and name HN   )   2.87  1.08  1.08
assign ( resid   86 and name HN   )   ( resid   88 and name HN   )   2.80  1.00  1.00
assign ( resid   88 and name HA   )   ( resid   90 and name HN   )   3.03  1.24  1.24
assign ( resid   90 and name HN   )   ( resid   93 and name HN   )   3.47  1.67  1.67
assign ( resid   94 and name HA   )   ( resid   97 and name HN   )   2.76  0.97  0.97
assign ( resid   95 and name HA   )   ( resid   98 and name HN   )   2.64  0.84  0.84
assign ( resid  103 and name HA   )   ( resid  106 and name HN   )   2.53  0.73  0.73
assign ( resid   71 and name HN   )   ( resid   73 and name HN   )   3.05  1.26  1.26
assign ( resid   83 and name HA   )   ( resid   88 and name HN   )   2.82  1.02  1.02
assign ( resid   98 and name HA   )   ( resid  100 and name HN   )   2.98  1.18  1.18
assign ( resid  106 and name HA   )   ( resid  109 and name HN   )   2.87  1.08  1.08
assign ( resid  109 and name HN   )   ( resid  111 and name HN   )   2.85  1.06  1.06
assign ( resid   18 and name HB2  )   ( resid   19 and name HN   )   2.71  0.91  0.91
assign ( resid   28 and name HA   )   ( resid   31 and name HN   )   3.18  1.38  1.38
assign ( resid   32 and name HN   )   ( resid   34 and name HN   )   2.96  1.17  1.17
assign ( resid   58 and name HA   )   ( resid   61 and name HN   )   2.84  1.04  1.04
assign ( resid    9 and name HA   )   ( resid   11 and name HN   )   3.23  1.44  1.44
assign ( resid   28 and name HN   )   ( resid   28 and name HB   )   2.78  0.99  0.99
assign ( resid    6 and name HG*  )   ( resid    7 and name HN   )   4.03  2.24  2.24
assign ( resid    7 and name HG2  )   ( resid    8 and name HN   )   3.23  1.44  1.44
assign ( resid    7 and name HG1  )   ( resid    8 and name HN   )   3.23  1.44  1.44
assign ( resid    8 and name HG   )   ( resid    9 and name HN   )   3.63  1.83  1.83
assign ( resid   35 and name HD*  )   ( resid   36 and name HN   )   4.62  2.82  2.82
assign ( resid   40 and name HG2  )   ( resid   41 and name HN   )   2.96  1.17  1.17
assign ( resid   40 and name HG1  )   ( resid   41 and name HN   )   2.96  1.17  1.17
assign ( resid   40 and name HD2  )   ( resid   41 and name HN   )   3.00  1.20  1.20
assign ( resid   43 and name HD*  )   ( resid   44 and name HN   )   4.34  2.54  2.54
assign ( resid   46 and name HG   )   ( resid   47 and name HN   )   3.72  1.92  1.92
assign ( resid   59 and name HG   )   ( resid   60 and name HN   )   3.36  1.56  1.56
assign ( resid   74 and name HG*  )   ( resid   75 and name HN   )   3.89  2.09  2.09
assign ( resid   84 and name HG2  )   ( resid   85 and name HN   )   3.34  1.54  1.54
assign ( resid   84 and name HG1  )   ( resid   85 and name HN   )   3.34  1.54  1.54
assign ( resid   89 and name HG1  )   ( resid   90 and name HN   )   3.68  1.89  1.89
assign ( resid   93 and name HD*  )   ( resid   94 and name HN   )   4.34  2.54  2.54
assign ( resid  105 and name HG1  )   ( resid  106 and name HN   )   3.68  1.89  1.89
assign ( resid  108 and name HG   )   ( resid  109 and name HN   )   3.32  1.53  1.53
assign ( resid    2 and name HN   )   ( resid    2 and name HG*  )   3.40  1.61  1.61
assign ( resid    7 and name HN   )   ( resid    7 and name HG2  )   3.20  1.40  1.40
assign ( resid    7 and name HN   )   ( resid    7 and name HG1  )   3.20  1.40  1.40
assign ( resid    9 and name HN   )   ( resid    9 and name HG2  )   3.07  1.27  1.27
assign ( resid    9 and name HN   )   ( resid    9 and name HG1  )   3.07  1.27  1.27
assign ( resid   14 and name HN   )   ( resid   14 and name HG2  )   2.85  1.06  1.06
assign ( resid   25 and name HN   )   ( resid   25 and name HG   )   2.98  1.18  1.18
assign ( resid   27 and name HN   )   ( resid   27 and name HG2  )   3.90  2.10  2.10
assign ( resid   27 and name HN   )   ( resid   27 and name HG1  )   3.90  2.10  2.10
assign ( resid   31 and name HN   )   ( resid   31 and name HG2  )   2.85  1.06  1.06
assign ( resid   31 and name HN   )   ( resid   31 and name HG1  )   2.85  1.06  1.06
assign ( resid   33 and name HN   )   ( resid   33 and name HG2  )   3.57  1.78  1.78
assign ( resid   33 and name HN   )   ( resid   33 and name HG1  )   3.57  1.78  1.78
assign ( resid   39 and name HN   )   ( resid   39 and name HG   )   2.93  1.13  1.13
assign ( resid   42 and name HN   )   ( resid   42 and name HG   )   3.25  1.45  1.45
assign ( resid   46 and name HN   )   ( resid   46 and name HG   )   2.91  1.11  1.11
assign ( resid   56 and name HN   )   ( resid   56 and name HD1  )   3.23  1.44  1.44
assign ( resid   57 and name HN   )   ( resid   57 and name HG2  )   3.47  1.67  1.67
assign ( resid   58 and name HN   )   ( resid   58 and name HD1  )   3.03  1.24  1.24
assign ( resid   59 and name HN   )   ( resid   59 and name HG   )   3.21  1.42  1.42
assign ( resid   61 and name HN   )   ( resid   61 and name HG2  )   3.02  1.22  1.22
assign ( resid   61 and name HN   )   ( resid   61 and name HG1  )   3.02  1.22  1.22
assign ( resid   61 and name HN   )   ( resid   61 and name HD2  )   3.90  2.10  2.10
assign ( resid   61 and name HN   )   ( resid   61 and name HD1  )   3.90  2.10  2.10
assign ( resid   63 and name HN   )   ( resid   63 and name HG   )   2.71  0.91  0.91
assign ( resid   69 and name HN   )   ( resid   69 and name HD*  )   4.21  2.42  2.42
assign ( resid   77 and name HN   )   ( resid   77 and name HG2  )   2.66  0.86  0.86
assign ( resid   77 and name HN   )   ( resid   77 and name HG1  )   2.66  0.86  0.86
assign ( resid   86 and name HN   )   ( resid   86 and name HG2  )   2.89  1.09  1.09
assign ( resid   93 and name HN   )   ( resid   93 and name HG2  )   2.71  0.91  0.91
assign ( resid   93 and name HN   )   ( resid   93 and name HD*  )   4.30  2.51  2.51
assign ( resid   94 and name HN   )   ( resid   94 and name HG2  )   2.57  0.77  0.77
assign ( resid   94 and name HN   )   ( resid   94 and name HG1  )   2.57  0.77  0.77
assign ( resid   99 and name HN   )   ( resid   99 and name HG   )   3.52  1.72  1.72
assign ( resid  104 and name HN   )   ( resid  104 and name HG2  )   2.69  0.90  0.90
assign ( resid  104 and name HN   )   ( resid  104 and name HG1  )   2.69  0.90  0.90
assign ( resid  108 and name HN   )   ( resid  108 and name HG   )   2.44  0.64  0.64
assign ( resid   33 and name HN   )   ( resid   35 and name HE*  )   4.96  3.17  3.17
assign ( resid   34 and name HN   )   ( resid   35 and name HE*  )   4.96  3.17  3.17
assign ( resid   29 and name HB2  )   ( resid   38 and name HN   )   3.66  1.87  1.87
assign ( resid   29 and name HB1  )   ( resid   38 and name HN   )   3.66  1.87  1.87
assign ( resid   22 and name HD*  )   ( resid   45 and name HN   )   4.34  2.54  2.54
assign ( resid   19 and name HB*  )   ( resid   49 and name HN   )   4.34  2.54  2.54
assign ( resid   48 and name HD*  )   ( resid   49 and name HN   )   4.26  2.46  2.46
assign ( resid   52 and name HN   )   ( resid   56 and name HE1  )   3.90  2.10  2.10
assign ( resid   53 and name HN   )   ( resid   56 and name HD1  )   3.90  2.10  2.10
assign ( resid   52 and name HD*  )   ( resid   54 and name HN   )   4.96  3.17  3.17
assign ( resid   52 and name HD*  )   ( resid   55 and name HN   )   4.26  2.46  2.46
assign ( resid   60 and name HN   )   ( resid   76 and name HE1  )   3.68  1.89  1.89
assign ( resid   63 and name HB2  )   ( resid   72 and name HN   )   3.21  1.42  1.42
assign ( resid    5 and name HG2* )   ( resid    6 and name HN   )   4.41  2.61  2.61
assign ( resid   10 and name HB*  )   ( resid   11 and name HN   )   2.95  1.15  1.15
assign ( resid   16 and name HG2* )   ( resid   17 and name HN   )   3.18  1.39  1.39
assign ( resid   24 and name HG2* )   ( resid   25 and name HN   )   3.58  1.78  1.78
assign ( resid   28 and name HG2* )   ( resid   29 and name HN   )   3.76  1.96  1.96
assign ( resid   46 and name HD1* )   ( resid   47 and name HN   )   4.35  2.56  2.56
assign ( resid   51 and name HG2* )   ( resid   52 and name HN   )   4.14  2.34  2.34
assign ( resid   54 and name HG2* )   ( resid   55 and name HN   )   3.54  1.75  1.75
assign ( resid   59 and name HD2* )   ( resid   60 and name HN   )   3.81  2.02  2.02
assign ( resid   59 and name HD1* )   ( resid   60 and name HN   )   4.10  2.31  2.31
assign ( resid   70 and name HB*  )   ( resid   71 and name HN   )   2.97  1.17  1.17
assign ( resid   80 and name HD2* )   ( resid   81 and name HN   )   3.72  1.93  1.93
assign ( resid   80 and name HD1* )   ( resid   81 and name HN   )   3.92  2.13  2.13
assign ( resid   81 and name HB*  )   ( resid   82 and name HN   )   2.95  1.15  1.15
assign ( resid   92 and name HG2* )   ( resid   93 and name HN   )   3.45  1.66  1.66
assign ( resid   92 and name HG1* )   ( resid   93 and name HN   )   3.29  1.50  1.50
assign ( resid   97 and name HG1* )   ( resid   98 and name HN   )   3.27  1.48  1.48
assign ( resid   99 and name HD1* )   ( resid  100 and name HN   )   3.98  2.18  2.18
assign ( resid   99 and name HD2* )   ( resid  100 and name HN   )   4.41  2.61  2.61
assign ( resid  103 and name HB*  )   ( resid  104 and name HN   )   2.97  1.17  1.17
assign ( resid    4 and name HN   )   ( resid    4 and name HD1* )   3.54  1.75  1.75
assign ( resid    5 and name HN   )   ( resid    5 and name HG2* )   3.11  1.32  1.32
assign ( resid    8 and name HN   )   ( resid    8 and name HD2* )   3.29  1.50  1.50
assign ( resid    8 and name HN   )   ( resid    8 and name HD1* )   3.61  1.82  1.82
assign ( resid   10 and name HN   )   ( resid   10 and name HB*  )   2.73  0.94  0.94
assign ( resid   11 and name HN   )   ( resid   11 and name HE*  )   3.90  2.11  2.11
assign ( resid   20 and name HN   )   ( resid   20 and name HD1* )   4.17  2.38  2.38
assign ( resid   20 and name HN   )   ( resid   20 and name HD2* )   4.17  2.38  2.38
assign ( resid   25 and name HN   )   ( resid   25 and name HD2* )   4.03  2.23  2.23
assign ( resid   25 and name HN   )   ( resid   25 and name HD1* )   3.88  2.09  2.09
assign ( resid   28 and name HN   )   ( resid   28 and name HG2* )   3.18  1.39  1.39
assign ( resid   39 and name HN   )   ( resid   39 and name HD1* )   3.40  1.60  1.60
assign ( resid   39 and name HN   )   ( resid   39 and name HD2* )   3.47  1.68  1.68
assign ( resid   42 and name HN   )   ( resid   42 and name HD1* )   3.81  2.02  2.02
assign ( resid   42 and name HN   )   ( resid   42 and name HD2* )   3.81  2.02  2.02
assign ( resid   46 and name HN   )   ( resid   46 and name HD1* )   3.63  1.84  1.84
assign ( resid   46 and name HN   )   ( resid   46 and name HD2* )   3.74  1.95  1.95
assign ( resid   51 and name HN   )   ( resid   51 and name HG2* )   3.18  1.39  1.39
assign ( resid   54 and name HN   )   ( resid   54 and name HG2* )   3.00  1.21  1.21
assign ( resid   59 and name HN   )   ( resid   59 and name HD2* )   3.36  1.57  1.57
assign ( resid   59 and name HN   )   ( resid   59 and name HD1* )   3.85  2.05  2.05
assign ( resid   63 and name HN   )   ( resid   63 and name HD2* )   3.27  1.48  1.48
assign ( resid   70 and name HN   )   ( resid   70 and name HB*  )   2.73  0.94  0.94
assign ( resid   80 and name HN   )   ( resid   80 and name HD2* )   3.72  1.93  1.93
assign ( resid   80 and name HN   )   ( resid   80 and name HD1* )   4.21  2.41  2.41
assign ( resid   82 and name HN   )   ( resid   82 and name HB*  )   2.68  0.88  0.88
assign ( resid   91 and name HN   )   ( resid   91 and name HG2* )   2.90  1.10  1.10
assign ( resid   91 and name HN   )   ( resid   91 and name HG1* )   3.29  1.50  1.50
assign ( resid   92 and name HN   )   ( resid   92 and name HG2* )   3.00  1.21  1.21
assign ( resid   92 and name HN   )   ( resid   92 and name HG1* )   3.16  1.37  1.37
assign ( resid   95 and name HN   )   ( resid   95 and name HD1* )   3.38  1.59  1.59
assign ( resid   95 and name HN   )   ( resid   95 and name HD2* )   3.49  1.69  1.69
assign ( resid   97 and name HN   )   ( resid   97 and name HG2* )   2.91  1.12  1.12
assign ( resid   97 and name HN   )   ( resid   97 and name HG1* )   3.22  1.42  1.42
assign ( resid   99 and name HN   )   ( resid   99 and name HD1* )   3.47  1.68  1.68
assign ( resid   99 and name HN   )   ( resid   99 and name HD2* )   3.40  1.60  1.60
assign ( resid  107 and name HN   )   ( resid  107 and name HB*  )   2.66  0.87  0.87
assign ( resid    3 and name HB*  )   ( resid    5 and name HN   )   3.52  1.73  1.73
assign ( resid    4 and name HG2* )   ( resid    5 and name HN   )   3.18  1.39  1.39
assign ( resid    5 and name HN   )   ( resid   28 and name HG2* )   4.05  2.25  2.25
assign ( resid    3 and name HB*  )   ( resid    6 and name HN   )   3.69  1.89  1.89
assign ( resid    4 and name HG2* )   ( resid    7 and name HN   )   3.72  1.93  1.93
assign ( resid    8 and name HN   )   ( resid   25 and name HD2* )   4.19  2.40  2.40
assign ( resid    8 and name HN   )   ( resid   25 and name HD1* )   4.41  2.61  2.61
assign ( resid    9 and name HN   )   ( resid   25 and name HD2* )   4.01  2.22  2.22
assign ( resid    9 and name HN   )   ( resid   25 and name HD1* )   4.41  2.61  2.61
assign ( resid   13 and name HB*  )   ( resid   15 and name HN   )   4.14  2.34  2.34
assign ( resid   23 and name HN   )   ( resid   45 and name HB*  )   3.52  1.73  1.73
assign ( resid    8 and name HD2* )   ( resid   25 and name HN   )   4.16  2.36  2.36
assign ( resid   27 and name HN   )   ( resid   30 and name HB*  )   4.15  2.36  2.36
assign ( resid   30 and name HB*  )   ( resid   32 and name HN   )   3.60  1.80  1.80
assign ( resid   30 and name HB*  )   ( resid   33 and name HN   )   4.41  2.61  2.61
assign ( resid   34 and name HN   )   ( resid   37 and name HB*  )   4.41  2.61  2.61
assign ( resid   35 and name HN   )   ( resid   62 and name HG2* )   3.72  1.93  1.93
assign ( resid   36 and name HN   )   ( resid   62 and name HG2* )   4.41  2.61  2.61
assign ( resid   36 and name HN   )   ( resid   37 and name HB*  )   3.67  1.87  1.87
assign ( resid   38 and name HN   )   ( resid   62 and name HG2* )   4.41  2.61  2.61
assign ( resid   39 and name HN   )   ( resid   62 and name HG2* )   3.36  1.57  1.57
assign ( resid   41 and name HN   )   ( resid   44 and name HB*  )   3.69  1.89  1.89
assign ( resid   46 and name HN   )   ( resid   55 and name HB*  )   3.51  1.71  1.71
assign ( resid   46 and name HD2* )   ( resid   49 and name HN   )   4.17  2.38  2.38
assign ( resid   46 and name HD2* )   ( resid   52 and name HN   )   3.88  2.09  2.09
assign ( resid   52 and name HN   )   ( resid   55 and name HB*  )   4.33  2.54  2.54
assign ( resid   54 and name HN   )   ( resid   91 and name HG1* )   4.26  2.47  2.47
assign ( resid   46 and name HD2* )   ( resid   55 and name HN   )   4.15  2.36  2.36
assign ( resid   46 and name HD2* )   ( resid   56 and name HN   )   3.94  2.14  2.14
assign ( resid   57 and name HN   )   ( resid   95 and name HD1* )   3.00  1.21  1.21
assign ( resid   54 and name HG1* )   ( resid   58 and name HN   )   3.81  2.02  2.02
assign ( resid   70 and name HN   )   ( resid  102 and name HD2* )   4.26  2.47  2.47
assign ( resid   71 and name HN   )   ( resid   72 and name HB*  )   4.24  2.45  2.45
assign ( resid   63 and name HD1* )   ( resid   71 and name HN   )   3.72  1.93  1.93
assign ( resid   70 and name HB*  )   ( resid   72 and name HN   )   3.58  1.78  1.78
assign ( resid   63 and name HD1* )   ( resid   72 and name HN   )   3.51  1.71  1.71
assign ( resid   63 and name HD1* )   ( resid   75 and name HN   )   4.23  2.43  2.43
assign ( resid   76 and name HN   )   ( resid   99 and name HD2* )   3.45  1.66  1.66
assign ( resid   77 and name HN   )   ( resid   99 and name HD2* )   3.56  1.77  1.77
assign ( resid   77 and name HN   )   ( resid   99 and name HD1* )   4.08  2.29  2.29
assign ( resid   79 and name HN   )   ( resid   82 and name HB*  )   4.10  2.31  2.31
assign ( resid   79 and name HN   )   ( resid   95 and name HD1* )   4.05  2.25  2.25
assign ( resid   79 and name HN   )   ( resid   81 and name HB*  )   4.41  2.61  2.61
assign ( resid   80 and name HN   )   ( resid   95 and name HD1* )   3.31  1.51  1.51
assign ( resid   83 and name HN   )   ( resid   92 and name HG2* )   3.92  2.13  2.13
assign ( resid   83 and name HN   )   ( resid   92 and name HG1* )   4.24  2.45  2.45
assign ( resid   84 and name HN   )   ( resid   92 and name HG2* )   3.36  1.57  1.57
assign ( resid   84 and name HN   )   ( resid   92 and name HG1* )   4.03  2.23  2.23
assign ( resid   83 and name HB*  )   ( resid   85 and name HN   )   3.70  1.91  1.91
assign ( resid   81 and name HB*  )   ( resid   85 and name HN   )   4.41  2.61  2.61
assign ( resid   29 and name HN   )   ( resid   30 and name HB*  )   3.74  1.95  1.95
assign ( resid   83 and name HB*  )   ( resid   88 and name HN   )   3.45  1.66  1.66
assign ( resid   90 and name HN   )   ( resid   91 and name HG2* )   3.83  2.04  2.04
assign ( resid   83 and name HB*  )   ( resid   91 and name HN   )   3.76  1.96  1.96
assign ( resid   92 and name HG1* )   ( resid   94 and name HN   )   3.94  2.14  2.14
assign ( resid  106 and name HN   )   ( resid  107 and name HB*  )   3.45  1.66  1.66
assign ( resid   91 and name HG2* )   ( resid   95 and name HN   )   4.23  2.43  2.43
assign ( resid   63 and name HN   )   ( resid   72 and name HB*  )   4.14  2.34  2.34
assign ( resid   83 and name HB*  )   ( resid   92 and name HN   )   3.31  1.51  1.51
assign ( resid   73 and name HN   )   ( resid  102 and name HD2* )   3.34  1.55  1.55
assign ( resid   29 and name HN   )   ( resid   38 and name HB*  )   3.67  1.87  1.87
assign ( resid    4 and name HN   )   ( resid    4 and name HB   )   2.37  0.57  0.57
assign ( resid    4 and name HA   )   ( resid    4 and name HB   )   2.40  0.61  0.61
assign ( resid   14 and name HN   )   ( resid   14 and name HB2  )   2.73  0.93  0.93
assign ( resid   23 and name HN   )   ( resid   23 and name HB2  )   2.75  0.95  0.95
assign ( resid   24 and name HN   )   ( resid   24 and name HB   )   2.64  0.84  0.84
assign ( resid   25 and name HN   )   ( resid   25 and name HB2  )   2.75  0.95  0.95
assign ( resid   31 and name HN   )   ( resid   31 and name HB2  )   2.71  0.91  0.91
assign ( resid   33 and name HN   )   ( resid   33 and name HB2  )   2.67  0.88  0.88
assign ( resid   47 and name HN   )   ( resid   47 and name HB2  )   2.51  0.72  0.72
assign ( resid   51 and name HN   )   ( resid   51 and name HB   )   2.76  0.97  0.97
assign ( resid   54 and name HN   )   ( resid   54 and name HB   )   2.57  0.77  0.77
assign ( resid   58 and name HN   )   ( resid   58 and name HB2  )   2.75  0.95  0.95
assign ( resid   59 and name HN   )   ( resid   59 and name HB2  )   2.67  0.88  0.88
assign ( resid   63 and name HN   )   ( resid   63 and name HB2  )   2.64  0.84  0.84
assign ( resid   80 and name HN   )   ( resid   80 and name HB1  )   2.66  0.86  0.86
assign ( resid   84 and name HN   )   ( resid   84 and name HB2  )   2.64  0.84  0.84
assign ( resid   86 and name HN   )   ( resid   86 and name HB2  )   2.66  0.86  0.86
assign ( resid   88 and name HN   )   ( resid   88 and name HB1  )   2.69  0.90  0.90
assign ( resid   89 and name HN   )   ( resid   89 and name HB2  )   2.62  0.82  0.82
assign ( resid   90 and name HN   )   ( resid   90 and name HB2  )   2.44  0.64  0.64
assign ( resid   90 and name HN   )   ( resid   90 and name HB1  )   2.44  0.64  0.64
assign ( resid   94 and name HN   )   ( resid   94 and name HB1  )   2.62  0.82  0.82
assign ( resid   95 and name HN   )   ( resid   95 and name HB2  )   2.71  0.91  0.91
assign ( resid   98 and name HN   )   ( resid   98 and name HB1  )   2.80  1.00  1.00
assign ( resid   99 and name HN   )   ( resid   99 and name HB2  )   2.66  0.86  0.86
assign ( resid  100 and name HN   )   ( resid  100 and name HB1  )   2.64  0.84  0.84
assign ( resid  100 and name HN   )   ( resid  100 and name HB2  )   2.58  0.79  0.79
assign ( resid  102 and name HN   )   ( resid  102 and name HB2  )   2.58  0.79  0.79
assign ( resid  102 and name HN   )   ( resid  102 and name HB1  )   2.58  0.79  0.79
assign ( resid  105 and name HA   )   ( resid  105 and name HB2  )   2.40  0.61  0.61
assign ( resid  107 and name HN   )   ( resid  107 and name HA   )   2.33  0.54  0.54
assign ( resid  108 and name HN   )   ( resid  108 and name HB2  )   2.64  0.84  0.84
assign ( resid  108 and name HN   )   ( resid  108 and name HB1  )   2.64  0.84  0.84
assign ( resid  109 and name HN   )   ( resid  109 and name HB*  )   2.81  1.01  1.01
assign ( resid  111 and name HN   )   ( resid  111 and name HB2  )   2.66  0.86  0.86
assign ( resid  111 and name HN   )   ( resid  111 and name HB1  )   2.66  0.86  0.86
assign ( resid    1 and name HA   )   ( resid    2 and name HN   )   2.22  0.43  0.43
assign ( resid    2 and name HA   )   ( resid    3 and name HN   )   2.19  0.39  0.39
assign ( resid    2 and name HB2  )   ( resid    3 and name HN   )   2.80  1.00  1.00
assign ( resid    3 and name HA   )   ( resid    4 and name HN   )   2.30  0.50  0.50
assign ( resid    4 and name HB   )   ( resid    5 and name HN   )   2.69  0.90  0.90
assign ( resid    6 and name HB2  )   ( resid    7 and name HN   )   3.07  1.27  1.27
assign ( resid   32 and name HA   )   ( resid   33 and name HN   )   2.66  0.86  0.86
assign ( resid   40 and name HB1  )   ( resid   41 and name HN   )   3.05  1.26  1.26
assign ( resid   54 and name HB   )   ( resid   55 and name HN   )   2.67  0.88  0.88
assign ( resid   74 and name HB*  )   ( resid   75 and name HN   )   3.08  1.28  1.28
assign ( resid   88 and name HB2  )   ( resid   89 and name HN   )   3.34  1.54  1.54
assign ( resid   88 and name HB1  )   ( resid   89 and name HN   )   3.34  1.54  1.54
assign ( resid   89 and name HB2  )   ( resid   90 and name HN   )   2.66  0.86  0.86
assign ( resid   89 and name HB1  )   ( resid   90 and name HN   )   2.66  0.86  0.86
assign ( resid   90 and name HB1  )   ( resid   91 and name HN   )   2.84  1.04  1.04
assign ( resid   98 and name HB1  )   ( resid   99 and name HN   )   3.03  1.24  1.24
assign ( resid  100 and name HA   )   ( resid  101 and name HN   )   2.66  0.86  0.86
assign ( resid  100 and name HB1  )   ( resid  101 and name HN   )   2.76  0.97  0.97
assign ( resid  100 and name HB2  )   ( resid  101 and name HN   )   2.69  0.90  0.90
assign ( resid  106 and name HA   )   ( resid  107 and name HN   )   2.64  0.84  0.84
assign ( resid  106 and name HB2  )   ( resid  107 and name HN   )   2.69  0.90  0.90
assign ( resid  109 and name HA   )   ( resid  110 and name HN   )   2.44  0.64  0.64
assign ( resid  109 and name HB*  )   ( resid  110 and name HN   )   3.11  1.32  1.32
assign ( resid    4 and name HA   )   ( resid    7 and name HB*  )   3.38  1.59  1.59
assign ( resid    7 and name HA   )   ( resid    9 and name HN   )   3.25  1.45  1.45
assign ( resid    7 and name HA   )   ( resid   10 and name HN   )   2.71  0.91  0.91
assign ( resid   28 and name HA   )   ( resid   31 and name HB2  )   3.11  1.31  1.31
assign ( resid   28 and name HA   )   ( resid   31 and name HB1  )   3.11  1.31  1.31
assign ( resid   43 and name HA   )   ( resid   46 and name HB1  )   3.34  1.54  1.54
assign ( resid   43 and name HA   )   ( resid   46 and name HB2  )   3.12  1.33  1.33
assign ( resid   44 and name HA   )   ( resid   47 and name HB2  )   2.69  0.90  0.90
assign ( resid   44 and name HA   )   ( resid   47 and name HB1  )   2.69  0.90  0.90
assign ( resid   70 and name HA   )   ( resid   73 and name HN   )   2.82  1.02  1.02
assign ( resid   81 and name HA   )   ( resid   84 and name HB2  )   2.73  0.93  0.93
assign ( resid   81 and name HA   )   ( resid   84 and name HB1  )   2.73  0.93  0.93
assign ( resid   83 and name HA   )   ( resid   86 and name HB2  )   3.23  1.44  1.44
assign ( resid   83 and name HA   )   ( resid   86 and name HB1  )   3.23  1.44  1.44
assign ( resid   89 and name HA   )   ( resid   92 and name HB   )   2.53  0.73  0.73
assign ( resid   90 and name HA   )   ( resid   93 and name HB*  )   3.38  1.59  1.59
assign ( resid   91 and name HA   )   ( resid   94 and name HB2  )   2.80  1.00  1.00
assign ( resid   91 and name HA   )   ( resid   94 and name HB1  )   3.03  1.24  1.24
assign ( resid  101 and name HA   )   ( resid  104 and name HB*  )   3.04  1.25  1.25
assign ( resid  103 and name HA   )   ( resid  106 and name HB2  )   2.67  0.88  0.88
assign ( resid  103 and name HA   )   ( resid  106 and name HB1  )   2.67  0.88  0.88
assign ( resid    3 and name HA   )   ( resid    4 and name HB   )   3.18  1.38  1.38
assign ( resid   30 and name HA   )   ( resid   35 and name HN   )   3.00  1.20  1.20
assign ( resid   30 and name HA   )   ( resid   35 and name HA   )   2.71  0.91  0.91
assign ( resid   88 and name HB2  )   ( resid   91 and name HN   )   3.43  1.63  1.63
assign ( resid   88 and name HB1  )   ( resid   91 and name HN   )   3.43  1.63  1.63
assign ( resid  106 and name HA   )   ( resid  109 and name HB*  )   3.26  1.46  1.46
assign ( resid   55 and name HA   )   ( resid   58 and name HB1  )   3.14  1.35  1.35
assign ( resid   55 and name HA   )   ( resid   58 and name HB2  )   3.14  1.35  1.35
assign ( resid    4 and name HA   )   ( resid    4 and name HG12 )   2.73  0.93  0.93
assign ( resid    4 and name HN   )   ( resid    4 and name HG12 )   2.82  1.02  1.02
assign ( resid    4 and name HN   )   ( resid    4 and name HG11 )   2.82  1.02  1.02
assign ( resid    4 and name HA   )   ( resid    4 and name HG11 )   2.73  0.93  0.93
assign ( resid    6 and name HN   )   ( resid    6 and name HG*  )   3.26  1.46  1.46
assign ( resid    8 and name HN   )   ( resid    8 and name HG   )   2.84  1.04  1.04
assign ( resid    8 and name HA   )   ( resid    8 and name HG   )   2.78  0.99  0.99
assign ( resid   11 and name HA   )   ( resid   11 and name HG2  )   2.87  1.08  1.08
assign ( resid   11 and name HA   )   ( resid   11 and name HG1  )   2.87  1.08  1.08
assign ( resid   14 and name HA   )   ( resid   14 and name HG2  )   2.91  1.11  1.11
assign ( resid   14 and name HN   )   ( resid   14 and name HG1  )   2.85  1.06  1.06
assign ( resid   14 and name HA   )   ( resid   14 and name HG1  )   2.91  1.11  1.11
assign ( resid   27 and name HB2  )   ( resid   27 and name HE2  )   3.86  2.07  2.07
assign ( resid   27 and name HB1  )   ( resid   27 and name HE2  )   3.86  2.07  2.07
assign ( resid   27 and name HB2  )   ( resid   27 and name HE1  )   3.86  2.07  2.07
assign ( resid   27 and name HB1  )   ( resid   27 and name HE1  )   3.86  2.07  2.07
assign ( resid   34 and name HN   )   ( resid   34 and name HG*  )   3.87  2.08  2.08
assign ( resid   39 and name HA   )   ( resid   39 and name HG   )   2.93  1.13  1.13
assign ( resid   57 and name HN   )   ( resid   57 and name HG1  )   3.47  1.67  1.67
assign ( resid   57 and name HN   )   ( resid   57 and name HD*  )   4.34  2.54  2.54
assign ( resid   61 and name HN   )   ( resid   61 and name HE2  )   3.84  2.05  2.05
assign ( resid   61 and name HB2  )   ( resid   61 and name HE2  )   3.09  1.29  1.29
assign ( resid   61 and name HB1  )   ( resid   61 and name HE2  )   3.09  1.29  1.29
assign ( resid   61 and name HN   )   ( resid   61 and name HE1  )   3.84  2.05  2.05
assign ( resid   61 and name HB2  )   ( resid   61 and name HE1  )   3.09  1.29  1.29
assign ( resid   61 and name HB1  )   ( resid   61 and name HE1  )   3.09  1.29  1.29
assign ( resid   64 and name HA   )   ( resid   64 and name HG2  )   2.85  1.06  1.06
assign ( resid   74 and name HN   )   ( resid   74 and name HG*  )   3.13  1.34  1.34
assign ( resid   77 and name HA   )   ( resid   77 and name HG2  )   2.85  1.06  1.06
assign ( resid   77 and name HA   )   ( resid   77 and name HG1  )   2.85  1.06  1.06
assign ( resid   84 and name HN   )   ( resid   84 and name HG2  )   2.71  0.91  0.91
assign ( resid   84 and name HA   )   ( resid   84 and name HG2  )   2.78  0.99  0.99
assign ( resid   84 and name HN   )   ( resid   84 and name HG1  )   2.71  0.91  0.91
assign ( resid   84 and name HA   )   ( resid   84 and name HG1  )   2.78  0.99  0.99
assign ( resid   86 and name HA   )   ( resid   86 and name HG2  )   2.71  0.91  0.91
assign ( resid   86 and name HN   )   ( resid   86 and name HG1  )   2.89  1.09  1.09
assign ( resid   86 and name HA   )   ( resid   86 and name HG1  )   2.71  0.91  0.91
assign ( resid   86 and name HN   )   ( resid   86 and name HD2  )   3.32  1.53  1.53
assign ( resid   86 and name HA   )   ( resid   86 and name HD2  )   3.11  1.31  1.31
assign ( resid   86 and name HN   )   ( resid   86 and name HD1  )   3.32  1.53  1.53
assign ( resid   86 and name HA   )   ( resid   86 and name HD1  )   3.11  1.31  1.31
assign ( resid   89 and name HN   )   ( resid   89 and name HG2  )   2.66  0.86  0.86
assign ( resid   89 and name HA   )   ( resid   89 and name HG2  )   2.78  0.99  0.99
assign ( resid   89 and name HB2  )   ( resid   89 and name HG2  )   2.39  0.59  0.59
assign ( resid   89 and name HB1  )   ( resid   89 and name HG2  )   2.39  0.59  0.59
assign ( resid   89 and name HN   )   ( resid   89 and name HG1  )   2.66  0.86  0.86
assign ( resid   89 and name HA   )   ( resid   89 and name HG1  )   2.78  0.99  0.99
assign ( resid   89 and name HB2  )   ( resid   89 and name HG1  )   2.39  0.59  0.59
assign ( resid   89 and name HB1  )   ( resid   89 and name HG1  )   2.39  0.59  0.59
assign ( resid   90 and name HN   )   ( resid   90 and name HG*  )   3.19  1.39  1.39
assign ( resid   93 and name HB*  )   ( resid   93 and name HE*  )   4.78  2.98  2.98
assign ( resid   93 and name HA   )   ( resid   93 and name HG2  )   2.98  1.18  1.18
assign ( resid   93 and name HN   )   ( resid   93 and name HG1  )   2.71  0.91  0.91
assign ( resid   93 and name HA   )   ( resid   93 and name HG1  )   2.98  1.18  1.18
assign ( resid   93 and name HA   )   ( resid   93 and name HD*  )   3.80  2.00  2.00
assign ( resid   94 and name HA   )   ( resid   94 and name HG2  )   2.71  0.91  0.91
assign ( resid   94 and name HA   )   ( resid   94 and name HG1  )   2.71  0.91  0.91
assign ( resid   95 and name HN   )   ( resid   95 and name HG   )   2.91  1.11  1.11
assign ( resid   99 and name HA   )   ( resid   99 and name HG   )   2.80  1.00  1.00
assign ( resid  100 and name HN   )   ( resid  100 and name HG2  )   2.80  1.00  1.00
assign ( resid  102 and name HN   )   ( resid  102 and name HG   )   3.12  1.33  1.33
assign ( resid  104 and name HA   )   ( resid  104 and name HG2  )   2.51  0.72  0.72
assign ( resid  104 and name HA   )   ( resid  104 and name HG1  )   2.51  0.72  0.72
assign ( resid  104 and name HN   )   ( resid  104 and name HD*  )   3.74  1.95  1.95
assign ( resid  104 and name HA   )   ( resid  104 and name HD*  )   3.42  1.63  1.63
assign ( resid  105 and name HA   )   ( resid  105 and name HG2  )   2.80  1.00  1.00
assign ( resid  105 and name HN   )   ( resid  105 and name HG2  )   2.67  0.88  0.88
assign ( resid  105 and name HN   )   ( resid  105 and name HG1  )   2.67  0.88  0.88
assign ( resid  105 and name HA   )   ( resid  105 and name HG1  )   2.80  1.00  1.00
assign ( resid  108 and name HA   )   ( resid  108 and name HG   )   2.73  0.93  0.93
assign ( resid  108 and name HB2  )   ( resid  108 and name HG   )   2.33  0.54  0.54
assign ( resid  108 and name HB1  )   ( resid  108 and name HG   )   2.33  0.54  0.54
assign ( resid  109 and name HN   )   ( resid  109 and name HG2  )   2.69  0.90  0.90
assign ( resid  109 and name HA   )   ( resid  109 and name HG2  )   2.66  0.86  0.86
assign ( resid  109 and name HN   )   ( resid  109 and name HG1  )   2.69  0.90  0.90
assign ( resid  109 and name HA   )   ( resid  109 and name HG1  )   2.66  0.86  0.86
assign ( resid    1 and name HG*  )   ( resid    2 and name HN   )   3.82  2.02  2.02
assign ( resid    2 and name HG*  )   ( resid    3 and name HN   )   3.47  1.68  1.68
assign ( resid   34 and name HG*  )   ( resid   35 and name HN   )   4.34  2.54  2.54
assign ( resid   40 and name HD1  )   ( resid   41 and name HN   )   3.00  1.20  1.20
assign ( resid   86 and name HG2  )   ( resid   87 and name HN   )   3.90  2.10  2.10
assign ( resid   86 and name HG1  )   ( resid   87 and name HN   )   3.90  2.10  2.10
assign ( resid   90 and name HG*  )   ( resid   91 and name HN   )   3.67  1.88  1.88
assign ( resid  100 and name HG2  )   ( resid  101 and name HN   )   3.02  1.22  1.22
assign ( resid  100 and name HG1  )   ( resid  101 and name HN   )   2.85  1.06  1.06
assign ( resid  105 and name HG2  )   ( resid  106 and name HN   )   3.68  1.89  1.89
assign ( resid   27 and name HE1  )   ( resid   58 and name HZ2  )   2.78  0.99  0.99
assign ( resid   27 and name HD2  )   ( resid   58 and name HE1  )   3.57  1.78  1.78
assign ( resid   27 and name HD1  )   ( resid   58 and name HE1  )   3.57  1.78  1.78
assign ( resid   31 and name HB2  )   ( resid   32 and name HD2  )   3.54  1.74  1.74
assign ( resid   31 and name HG2  )   ( resid   58 and name HH2  )   3.30  1.51  1.51
assign ( resid   33 and name HA   )   ( resid   35 and name HE*  )   4.48  2.68  2.68
assign ( resid   39 and name HB2  )   ( resid   40 and name HD2  )   3.23  1.44  1.44
assign ( resid   39 and name HB2  )   ( resid   40 and name HD1  )   3.23  1.44  1.44
assign ( resid   39 and name HB1  )   ( resid   40 and name HD2  )   3.21  1.42  1.42
assign ( resid   39 and name HB1  )   ( resid   40 and name HD1  )   3.21  1.42  1.42
assign ( resid   39 and name HG   )   ( resid   40 and name HD2  )   3.65  1.85  1.85
assign ( resid   39 and name HG   )   ( resid   40 and name HD1  )   3.65  1.85  1.85
assign ( resid   49 and name HA   )   ( resid   50 and name HG2  )   3.38  1.58  1.58
assign ( resid   49 and name HA   )   ( resid   50 and name HG1  )   3.38  1.58  1.58
assign ( resid   57 and name HB1  )   ( resid   95 and name HG   )   3.25  1.45  1.45
assign ( resid   35 and name HD*  )   ( resid   62 and name HA   )   4.58  2.79  2.79
assign ( resid   64 and name HA   )   ( resid   64 and name HG1  )   2.85  1.06  1.06
assign ( resid   88 and name HB2  )   ( resid   91 and name HB   )   3.02  1.22  1.22
assign ( resid   91 and name HA   )   ( resid   94 and name HG1  )   3.12  1.33  1.33
assign ( resid   93 and name HN   )   ( resid   93 and name HE*  )   3.13  1.34  1.34
assign ( resid   90 and name HA   )   ( resid   93 and name HE*  )   4.03  2.24  2.24
assign ( resid   97 and name HA   )   ( resid  100 and name HG1  )   3.09  1.29  1.29
assign ( resid   92 and name HB   )   ( resid   93 and name HB*  )   4.23  2.43  2.43
assign ( resid   91 and name HA   )   ( resid   94 and name HG2  )   3.12  1.33  1.33
assign ( resid   19 and name HG2  )   ( resid   48 and name HB*  )   4.25  2.45  2.45
assign ( resid   19 and name HG2  )   ( resid   49 and name HB1  )   4.49  2.69  2.69
assign ( resid   19 and name HG1  )   ( resid   48 and name HB*  )   4.25  2.45  2.45
assign ( resid   19 and name HG1  )   ( resid   49 and name HB1  )   4.49  2.69  2.69
assign ( resid   27 and name HE2  )   ( resid   58 and name HZ2  )   2.78  0.99  0.99
assign ( resid   58 and name HZ3  )   ( resid   61 and name HE2  )   3.20  1.40  1.40
assign ( resid   58 and name HE3  )   ( resid   61 and name HE2  )   3.20  1.40  1.40
assign ( resid   58 and name HZ3  )   ( resid   61 and name HE1  )   3.20  1.40  1.40
assign ( resid   58 and name HE3  )   ( resid   61 and name HE1  )   3.20  1.40  1.40
assign ( resid   61 and name HD2  )   ( resid   98 and name HE*  )   4.96  3.17  3.17
assign ( resid   61 and name HD1  )   ( resid   98 and name HE*  )   4.96  3.17  3.17
assign ( resid   57 and name HA   )   ( resid   57 and name HD*  )   3.80  2.00  2.00
assign ( resid   92 and name HB   )   ( resid   93 and name HE*  )   3.60  1.81  1.81
assign ( resid   88 and name HB1  )   ( resid   91 and name HB   )   3.02  1.22  1.22
assign ( resid   89 and name HG2  )   ( resid   90 and name HN   )   3.68  1.89  1.89
assign ( resid    4 and name HN   )   ( resid    4 and name HG2* )   3.31  1.51  1.51
assign ( resid    8 and name HA   )   ( resid    8 and name HD2* )   3.00  1.21  1.21
assign ( resid    8 and name HA   )   ( resid    8 and name HD1* )   4.19  2.40  2.40
assign ( resid   11 and name HA   )   ( resid   11 and name HE*  )   3.74  1.95  1.95
assign ( resid   11 and name HB2  )   ( resid   11 and name HE*  )   3.74  1.95  1.95
assign ( resid   11 and name HB1  )   ( resid   11 and name HE*  )   3.74  1.95  1.95
assign ( resid   12 and name HN   )   ( resid   12 and name HD1* )   3.98  2.18  2.18
assign ( resid   12 and name HA   )   ( resid   12 and name HD1* )   4.07  2.27  2.27
assign ( resid   12 and name HN   )   ( resid   12 and name HD2* )   3.98  2.18  2.18
assign ( resid   12 and name HA   )   ( resid   12 and name HD2* )   4.07  2.27  2.27
assign ( resid   19 and name HN   )   ( resid   19 and name HE*  )   4.14  2.34  2.34
assign ( resid   19 and name HA   )   ( resid   19 and name HE*  )   4.41  2.61  2.61
assign ( resid   25 and name HA   )   ( resid   25 and name HD1* )   3.70  1.91  1.91
assign ( resid   25 and name HA   )   ( resid   25 and name HD2* )   3.54  1.75  1.75
assign ( resid   39 and name HA   )   ( resid   39 and name HD1* )   3.06  1.26  1.26
assign ( resid   39 and name HA   )   ( resid   39 and name HD2* )   3.52  1.73  1.73
assign ( resid   42 and name HA   )   ( resid   42 and name HD1* )   3.27  1.48  1.48
assign ( resid   42 and name HA   )   ( resid   42 and name HD2* )   3.27  1.48  1.48
assign ( resid   46 and name HA   )   ( resid   46 and name HD1* )   4.34  2.54  2.54
assign ( resid   46 and name HA   )   ( resid   46 and name HD2* )   3.38  1.59  1.59
assign ( resid   54 and name HN   )   ( resid   54 and name HG1* )   3.20  1.41  1.41
assign ( resid   59 and name HA   )   ( resid   59 and name HD2* )   3.36  1.57  1.57
assign ( resid   59 and name HA   )   ( resid   59 and name HD1* )   3.58  1.78  1.78
assign ( resid   63 and name HN   )   ( resid   63 and name HD1* )   3.53  1.73  1.73
assign ( resid   63 and name HA   )   ( resid   63 and name HD1* )   3.90  2.11  2.11
assign ( resid   63 and name HA   )   ( resid   63 and name HD2* )   2.98  1.19  1.19
assign ( resid   80 and name HA   )   ( resid   80 and name HD2* )   3.29  1.50  1.50
assign ( resid   80 and name HA   )   ( resid   80 and name HD1* )   3.27  1.48  1.48
assign ( resid   95 and name HA   )   ( resid   95 and name HD1* )   3.58  1.78  1.78
assign ( resid   95 and name HA   )   ( resid   95 and name HD2* )   2.93  1.14  1.14
assign ( resid   99 and name HA   )   ( resid   99 and name HD1* )   3.72  1.93  1.93
assign ( resid   99 and name HA   )   ( resid   99 and name HD2* )   3.20  1.41  1.41
assign ( resid  102 and name HN   )   ( resid  102 and name HD1* )   3.99  2.20  2.20
assign ( resid  102 and name HA   )   ( resid  102 and name HD1* )   3.22  1.42  1.42
assign ( resid  102 and name HN   )   ( resid  102 and name HD2* )   3.65  1.86  1.86
assign ( resid  102 and name HA   )   ( resid  102 and name HD2* )   3.18  1.39  1.39
assign ( resid  108 and name HN   )   ( resid  108 and name HD1* )   3.69  1.89  1.89
assign ( resid  108 and name HA   )   ( resid  108 and name HD1* )   3.44  1.64  1.64
assign ( resid  108 and name HN   )   ( resid  108 and name HD2* )   3.69  1.89  1.89
assign ( resid  108 and name HA   )   ( resid  108 and name HD2* )   3.44  1.64  1.64
assign ( resid    4 and name HD1* )   ( resid    5 and name HN   )   4.41  2.61  2.61
assign ( resid   19 and name HE*  )   ( resid   20 and name HN   )   3.79  2.00  2.00
assign ( resid   25 and name HD2* )   ( resid   26 and name HN   )   4.17  2.38  2.38
assign ( resid   25 and name HD1* )   ( resid   26 and name HN   )   3.97  2.18  2.18
assign ( resid   46 and name HD2* )   ( resid   47 and name HN   )   4.41  2.61  2.61
assign ( resid   54 and name HG1* )   ( resid   55 and name HN   )   3.40  1.60  1.60
assign ( resid   62 and name HG2* )   ( resid   63 and name HN   )   4.05  2.25  2.25
assign ( resid   91 and name HG1* )   ( resid   92 and name HN   )   3.96  2.16  2.16
assign ( resid   95 and name HD1* )   ( resid   96 and name HN   )   3.90  2.11  2.11
assign ( resid   95 and name HD2* )   ( resid   96 and name HN   )   3.78  1.98  1.98
assign ( resid   97 and name HG2* )   ( resid   98 and name HN   )   3.33  1.53  1.53
assign ( resid  107 and name HB*  )   ( resid  108 and name HN   )   3.04  1.24  1.24
assign ( resid    7 and name HA   )   ( resid   10 and name HB*  )   3.24  1.44  1.44
assign ( resid   27 and name HA   )   ( resid   30 and name HB*  )   3.81  2.02  2.02
assign ( resid   35 and name HA   )   ( resid   38 and name HB*  )   3.85  2.05  2.05
assign ( resid   69 and name HA   )   ( resid   72 and name HB*  )   3.45  1.66  1.66
assign ( resid   79 and name HA2  )   ( resid   82 and name HB*  )   3.79  2.00  2.00
assign ( resid   80 and name HA   )   ( resid   83 and name HB*  )   3.25  1.46  1.46
assign ( resid  104 and name HA   )   ( resid  107 and name HB*  )   3.07  1.28  1.28
assign ( resid    3 and name HB*  )   ( resid    4 and name HA   )   4.33  2.54  2.54
assign ( resid    3 and name HB*  )   ( resid    6 and name HA   )   4.41  2.61  2.61
assign ( resid    4 and name HG2* )   ( resid    8 and name HG   )   3.83  2.04  2.04
assign ( resid    4 and name HD1* )   ( resid    8 and name HG   )   3.78  1.98  1.98
assign ( resid    4 and name HG2* )   ( resid   28 and name HB   )   4.33  2.54  2.54
assign ( resid    4 and name HG2* )   ( resid    5 and name HA   )   4.17  2.38  2.38
assign ( resid    3 and name HA   )   ( resid    4 and name HG2* )   4.41  2.61  2.61
assign ( resid    4 and name HG2* )   ( resid    6 and name HN   )   4.41  2.61  2.61
assign ( resid    4 and name HG2* )   ( resid    8 and name HN   )   4.41  2.61  2.61
assign ( resid   83 and name HB*  )   ( resid   91 and name HG1* )   4.21  2.42  2.42
assign ( resid    8 and name HD2* )   ( resid   11 and name HB2  )   4.41  2.61  2.61
assign ( resid    8 and name HD2* )   ( resid   11 and name HB1  )   4.41  2.61  2.61
assign ( resid    8 and name HD1* )   ( resid   25 and name HD2* )   4.50  2.71  2.71
assign ( resid    8 and name HD1* )   ( resid   25 and name HD1* )   4.66  2.87  2.87
assign ( resid    8 and name HD2* )   ( resid   25 and name HD2* )   4.81  3.01  3.01
assign ( resid    8 and name HD1* )   ( resid   24 and name HG2* )   4.12  2.33  2.33
assign ( resid   53 and name HB1  )   ( resid   91 and name HG1* )   3.90  2.11  2.11
assign ( resid   53 and name HB2  )   ( resid   91 and name HG1* )   3.90  2.11  2.11
assign ( resid    5 and name HA   )   ( resid    8 and name HD1* )   4.14  2.34  2.34
assign ( resid    8 and name HD1* )   ( resid   25 and name HA   )   3.85  2.05  2.05
assign ( resid    8 and name HD1* )   ( resid   25 and name HN   )   4.30  2.50  2.50
assign ( resid   84 and name HG1  )   ( resid   92 and name HG2* )   3.26  1.46  1.46
assign ( resid   84 and name HG1  )   ( resid   92 and name HG1* )   3.87  2.07  2.07
assign ( resid   19 and name HE*  )   ( resid   52 and name HN   )   4.01  2.22  2.22
assign ( resid   19 and name HE*  )   ( resid   48 and name HD*  )   5.47  3.68  3.68
assign ( resid   11 and name HE*  )   ( resid   12 and name HN   )   4.01  2.22  2.22
assign ( resid    8 and name HA   )   ( resid   11 and name HE*  )   3.60  1.80  1.80
assign ( resid    8 and name HD1* )   ( resid   11 and name HE*  )   4.92  3.12  3.12
assign ( resid    8 and name HD2* )   ( resid   11 and name HE*  )   4.11  2.31  2.31
assign ( resid   11 and name HE*  )   ( resid   16 and name HG2* )   4.12  2.33  2.33
assign ( resid   13 and name HB*  )   ( resid   14 and name HG2  )   4.05  2.25  2.25
assign ( resid   13 and name HB*  )   ( resid   14 and name HG1  )   4.05  2.25  2.25
assign ( resid   25 and name HD1* )   ( resid   29 and name HD*  )   5.47  3.68  3.68
assign ( resid    5 and name HA   )   ( resid   25 and name HD2* )   3.65  1.86  1.86
assign ( resid    8 and name HA   )   ( resid   25 and name HD2* )   4.25  2.45  2.45
assign ( resid    5 and name HA   )   ( resid   25 and name HD1* )   3.72  1.93  1.93
assign ( resid    8 and name HA   )   ( resid   25 and name HD1* )   4.15  2.36  2.36
assign ( resid   21 and name HG   )   ( resid   25 and name HD1* )   4.26  2.47  2.47
assign ( resid   24 and name HG2* )   ( resid   25 and name HD1* )   4.59  2.80  2.80
assign ( resid    8 and name HD2* )   ( resid   25 and name HD1* )   4.48  2.69  2.69
assign ( resid    8 and name HG   )   ( resid   25 and name HD2* )   4.14  2.34  2.34
assign ( resid    4 and name HB   )   ( resid   28 and name HG2* )   3.43  1.64  1.64
assign ( resid   30 and name HB*  )   ( resid   34 and name HN   )   4.24  2.45  2.45
assign ( resid   30 and name HB*  )   ( resid   58 and name HE3  )   3.70  1.91  1.91
assign ( resid   30 and name HB*  )   ( resid   35 and name HD*  )   5.15  3.35  3.35
assign ( resid   30 and name HB*  )   ( resid   31 and name HA   )   3.83  2.04  2.04
assign ( resid   30 and name HB*  )   ( resid   62 and name HG2* )   4.92  3.12  3.12
assign ( resid   29 and name HN   )   ( resid   37 and name HB*  )   4.41  2.61  2.61
assign ( resid   29 and name HB1  )   ( resid   37 and name HB*  )   3.79  2.00  2.00
assign ( resid   29 and name HB2  )   ( resid   37 and name HB*  )   3.79  2.00  2.00
assign ( resid   37 and name HB*  )   ( resid   38 and name HA   )   4.01  2.22  2.22
assign ( resid   38 and name HB*  )   ( resid   62 and name HG2* )   4.16  2.37  2.37
assign ( resid   38 and name HB*  )   ( resid   42 and name HD1* )   4.92  3.12  3.12
assign ( resid   37 and name HB*  )   ( resid   38 and name HB*  )   4.92  3.12  3.12
assign ( resid   30 and name HA   )   ( resid   38 and name HB*  )   3.58  1.78  1.78
assign ( resid   29 and name HB1  )   ( resid   38 and name HB*  )   3.54  1.75  1.75
assign ( resid   29 and name HB2  )   ( resid   38 and name HB*  )   3.54  1.75  1.75
assign ( resid   29 and name HA   )   ( resid   38 and name HB*  )   3.92  2.13  2.13
assign ( resid   35 and name HD*  )   ( resid   38 and name HB*  )   5.33  3.53  3.53
assign ( resid   35 and name HN   )   ( resid   38 and name HB*  )   4.41  2.61  2.61
assign ( resid   29 and name HD*  )   ( resid   38 and name HB*  )   5.47  3.68  3.68
assign ( resid   37 and name HN   )   ( resid   38 and name HB*  )   4.10  2.31  2.31
assign ( resid   38 and name HB*  )   ( resid   42 and name HN   )   4.41  2.61  2.61
assign ( resid   30 and name HN   )   ( resid   38 and name HB*  )   3.69  1.89  1.89
assign ( resid   39 and name HD1* )   ( resid   40 and name HD2  )   4.41  2.61  2.61
assign ( resid   39 and name HD1* )   ( resid   40 and name HD1  )   4.41  2.61  2.61
assign ( resid   39 and name HD2* )   ( resid   40 and name HD2  )   4.41  2.61  2.61
assign ( resid   39 and name HD2* )   ( resid   40 and name HD1  )   4.41  2.61  2.61
assign ( resid   39 and name HD2* )   ( resid   43 and name HD*  )   4.85  3.05  3.05
assign ( resid   39 and name HB2  )   ( resid   62 and name HG2* )   4.15  2.36  2.36
assign ( resid   39 and name HB1  )   ( resid   62 and name HG2* )   4.41  2.61  2.61
assign ( resid   39 and name HD2* )   ( resid   62 and name HG2* )   4.65  2.85  2.85
assign ( resid   39 and name HD2* )   ( resid   63 and name HD1* )   4.92  3.12  3.12
assign ( resid   39 and name HD2* )   ( resid   63 and name HN   )   4.41  2.61  2.61
assign ( resid   39 and name HD1* )   ( resid   63 and name HN   )   4.17  2.38  2.38
assign ( resid   26 and name HA1  )   ( resid   42 and name HD2* )   5.29  3.49  3.49
assign ( resid   42 and name HD2* )   ( resid   58 and name HB2  )   5.39  3.60  3.60
assign ( resid   42 and name HD2* )   ( resid   58 and name HB1  )   5.39  3.60  3.60
assign ( resid   26 and name HA1  )   ( resid   42 and name HD1* )   5.29  3.49  3.49
assign ( resid   42 and name HD2* )   ( resid   55 and name HB*  )   4.83  3.03  3.03
assign ( resid   41 and name HA   )   ( resid   44 and name HB*  )   3.88  2.09  2.09
assign ( resid   44 and name HB*  )   ( resid   45 and name HB*  )   3.75  1.95  1.95
assign ( resid   45 and name HB*  )   ( resid   46 and name HG   )   3.97  2.18  2.18
assign ( resid   43 and name HN   )   ( resid   44 and name HB*  )   4.41  2.61  2.61
assign ( resid   19 and name HG1  )   ( resid   45 and name HB*  )   3.92  2.13  2.13
assign ( resid   19 and name HG2  )   ( resid   45 and name HB*  )   3.92  2.13  2.13
assign ( resid   22 and name HD*  )   ( resid   45 and name HB*  )   4.74  2.94  2.94
assign ( resid   45 and name HB*  )   ( resid   48 and name HB*  )   4.63  2.84  2.84
assign ( resid   19 and name HA   )   ( resid   45 and name HB*  )   3.96  2.16  2.16
assign ( resid   43 and name HA   )   ( resid   45 and name HB*  )   4.41  2.61  2.61
assign ( resid   23 and name HA   )   ( resid   45 and name HB*  )   3.52  1.73  1.73
assign ( resid   42 and name HA   )   ( resid   45 and name HB*  )   3.43  1.64  1.64
assign ( resid   23 and name HD*  )   ( resid   45 and name HB*  )   5.31  3.51  3.51
assign ( resid   44 and name HN   )   ( resid   45 and name HB*  )   3.78  1.98  1.98
assign ( resid   46 and name HD2* )   ( resid   56 and name HZ2  )   4.41  2.61  2.61
assign ( resid   46 and name HD1* )   ( resid   55 and name HN   )   4.41  2.61  2.61
assign ( resid   46 and name HD2* )   ( resid   56 and name HD1  )   4.41  2.61  2.61
assign ( resid   46 and name HD2* )   ( resid   50 and name HA   )   3.76  1.96  1.96
assign ( resid   43 and name HA   )   ( resid   46 and name HD1* )   4.37  2.58  2.58
assign ( resid   46 and name HD2* )   ( resid   52 and name HB2  )   4.41  2.61  2.61
assign ( resid   46 and name HD2* )   ( resid   52 and name HB1  )   4.41  2.61  2.61
assign ( resid   50 and name HG1  )   ( resid   51 and name HG2* )   4.23  2.43  2.43
assign ( resid   50 and name HB2  )   ( resid   51 and name HG2* )   4.41  2.61  2.61
assign ( resid   46 and name HD2* )   ( resid   50 and name HB2  )   4.41  2.61  2.61
assign ( resid   46 and name HD2* )   ( resid   50 and name HB1  )   4.41  2.61  2.61
assign ( resid   50 and name HG2  )   ( resid   51 and name HG2* )   4.23  2.43  2.43
assign ( resid   54 and name HG1* )   ( resid   57 and name HN   )   4.41  2.61  2.61
assign ( resid   54 and name HG2* )   ( resid   58 and name HD1  )   3.72  1.93  1.93
assign ( resid   54 and name HG2* )   ( resid   57 and name HN   )   4.41  2.61  2.61
assign ( resid   46 and name HD2* )   ( resid   55 and name HB*  )   4.43  2.64  2.64
assign ( resid   54 and name HG2* )   ( resid   55 and name HB*  )   4.92  3.12  3.12
assign ( resid   46 and name HG   )   ( resid   55 and name HB*  )   3.56  1.77  1.77
assign ( resid   57 and name HB1  )   ( resid   91 and name HG2* )   3.96  2.16  2.16
assign ( resid   57 and name HB1  )   ( resid   95 and name HD1* )   3.76  1.96  1.96
assign ( resid   57 and name HB2  )   ( resid   91 and name HG2* )   3.72  1.93  1.93
assign ( resid   57 and name HB2  )   ( resid   95 and name HD1* )   3.80  2.00  2.00
assign ( resid   59 and name HD2* )   ( resid   63 and name HD1* )   4.50  2.71  2.71
assign ( resid   46 and name HD2* )   ( resid   59 and name HD2* )   4.92  3.12  3.12
assign ( resid   46 and name HD1* )   ( resid   59 and name HD2* )   4.18  2.38  2.38
assign ( resid   59 and name HD1* )   ( resid   63 and name HD1* )   4.39  2.60  2.60
assign ( resid   46 and name HD1* )   ( resid   59 and name HD1* )   4.92  3.12  3.12
assign ( resid   63 and name HD1* )   ( resid   71 and name HA2  )   3.89  2.09  2.09
assign ( resid   63 and name HD1* )   ( resid   72 and name HA   )   3.94  2.14  2.14
assign ( resid    5 and name HG2* )   ( resid   25 and name HD2* )   4.21  2.42  2.42
assign ( resid    5 and name HG2* )   ( resid   25 and name HD1* )   4.34  2.55  2.55
assign ( resid    4 and name HG2* )   ( resid    5 and name HG2* )   4.43  2.64  2.64
assign ( resid    5 and name HG2* )   ( resid   28 and name HG2* )   4.12  2.33  2.33
assign ( resid    5 and name HG2* )   ( resid   25 and name HG   )   4.15  2.36  2.36
assign ( resid    4 and name HB   )   ( resid    5 and name HG2* )   3.88  2.09  2.09
assign ( resid    5 and name HG2* )   ( resid    6 and name HG*  )   4.85  3.05  3.05
assign ( resid    5 and name HG2* )   ( resid   29 and name HD*  )   5.47  3.68  3.68
assign ( resid    5 and name HG2* )   ( resid   29 and name HN   )   4.41  2.61  2.61
assign ( resid    4 and name HN   )   ( resid    5 and name HG2* )   4.41  2.61  2.61
assign ( resid   19 and name HE*  )   ( resid   20 and name HD2* )   4.50  2.71  2.71
assign ( resid   19 and name HE*  )   ( resid   20 and name HD1* )   4.50  2.71  2.71
assign ( resid   19 and name HE*  )   ( resid   20 and name HA   )   3.76  1.96  1.96
assign ( resid   63 and name HD1* )   ( resid   71 and name HA1  )   3.89  2.09  2.09
assign ( resid   70 and name HB*  )   ( resid   71 and name HA1  )   3.90  2.11  2.11
assign ( resid   70 and name HB*  )   ( resid   71 and name HA2  )   3.90  2.11  2.11
assign ( resid   72 and name HB*  )   ( resid   74 and name HN   )   4.08  2.29  2.29
assign ( resid   64 and name HN   )   ( resid   72 and name HB*  )   3.56  1.77  1.77
assign ( resid   70 and name HN   )   ( resid   72 and name HB*  )   4.41  2.61  2.61
assign ( resid   72 and name HB*  )   ( resid   76 and name HH2  )   4.10  2.31  2.31
assign ( resid   72 and name HB*  )   ( resid   73 and name HA   )   3.90  2.11  2.11
assign ( resid   63 and name HA   )   ( resid   72 and name HB*  )   4.41  2.61  2.61
assign ( resid   64 and name HA   )   ( resid   72 and name HB*  )   3.61  1.82  1.82
assign ( resid   60 and name HA2  )   ( resid   72 and name HB*  )   4.23  2.43  2.43
assign ( resid   60 and name HA1  )   ( resid   72 and name HB*  )   4.23  2.43  2.43
assign ( resid   72 and name HB*  )   ( resid   75 and name HB*  )   4.45  2.65  2.65
assign ( resid   63 and name HB2  )   ( resid   72 and name HB*  )   3.79  2.00  2.00
assign ( resid   72 and name HB*  )   ( resid  102 and name HD2* )   4.34  2.55  2.55
assign ( resid   63 and name HD2* )   ( resid   72 and name HB*  )   4.92  3.12  3.12
assign ( resid   72 and name HA   )   ( resid   75 and name HB*  )   3.83  2.04  2.04
assign ( resid   59 and name HD2* )   ( resid   75 and name HB*  )   4.61  2.82  2.82
assign ( resid   63 and name HD1* )   ( resid   75 and name HB*  )   4.39  2.60  2.60
assign ( resid   77 and name HG1  )   ( resid   99 and name HD2* )   3.78  1.98  1.98
assign ( resid   80 and name HA   )   ( resid   95 and name HD1* )   3.27  1.48  1.48
assign ( resid   80 and name HD1* )   ( resid   92 and name HA   )   3.36  1.57  1.57
assign ( resid   80 and name HD2* )   ( resid   92 and name HA   )   4.05  2.25  2.25
assign ( resid   80 and name HD2* )   ( resid   96 and name HA   )   3.44  1.64  1.64
assign ( resid   80 and name HD1* )   ( resid   96 and name HA   )   3.72  1.93  1.93
assign ( resid   80 and name HD2* )   ( resid   81 and name HA   )   3.72  1.93  1.93
assign ( resid   80 and name HD2* )   ( resid   93 and name HN   )   4.21  2.41  2.41
assign ( resid   80 and name HD2* )   ( resid   96 and name HN   )   3.96  2.16  2.16
assign ( resid   80 and name HD1* )   ( resid   92 and name HN   )   4.41  2.61  2.61
assign ( resid   80 and name HD1* )   ( resid   96 and name HN   )   3.88  2.09  2.09
assign ( resid   80 and name HD1* )   ( resid   84 and name HN   )   4.41  2.61  2.61
assign ( resid   78 and name HA   )   ( resid   81 and name HB*  )   3.38  1.59  1.59
assign ( resid   79 and name HA1  )   ( resid   82 and name HB*  )   3.79  2.00  2.00
assign ( resid   81 and name HN   )   ( resid   82 and name HB*  )   4.08  2.29  2.29
assign ( resid   83 and name HB*  )   ( resid   92 and name HG2* )   3.84  2.04  2.04
assign ( resid   84 and name HA   )   ( resid   92 and name HG2* )   3.51  1.71  1.71
assign ( resid   84 and name HA   )   ( resid   92 and name HG1* )   3.69  1.89  1.89
assign ( resid   84 and name HG2  )   ( resid   92 and name HG2* )   3.26  1.46  1.46
assign ( resid   84 and name HG2  )   ( resid   92 and name HG1* )   3.87  2.07  2.07
assign ( resid   83 and name HB*  )   ( resid   88 and name HB2  )   3.70  1.91  1.91
assign ( resid   83 and name HB*  )   ( resid   88 and name HB1  )   3.70  1.91  1.91
assign ( resid   89 and name HG2  )   ( resid   92 and name HG2* )   4.35  2.56  2.56
assign ( resid   90 and name HB2  )   ( resid   91 and name HG2* )   4.32  2.52  2.52
assign ( resid   90 and name HB1  )   ( resid   91 and name HG2* )   4.32  2.52  2.52
assign ( resid   91 and name HG1* )   ( resid   95 and name HN   )   4.37  2.58  2.58
assign ( resid    8 and name HD2* )   ( resid    9 and name HN   )   4.41  2.61  2.61
assign ( resid   57 and name HD*  )   ( resid   91 and name HG2* )   3.77  1.97  1.97
assign ( resid   83 and name HB*  )   ( resid   92 and name HA   )   3.65  1.86  1.86
assign ( resid   80 and name HG   )   ( resid   92 and name HG2* )   2.88  1.08  1.08
assign ( resid   92 and name HG1* )   ( resid   93 and name HB*  )   4.77  2.98  2.98
assign ( resid   89 and name HA   )   ( resid   92 and name HG2* )   3.54  1.75  1.75
assign ( resid   92 and name HG1* )   ( resid   95 and name HN   )   4.41  2.61  2.61
assign ( resid   94 and name HA   )   ( resid   97 and name HG1* )   3.72  1.93  1.93
assign ( resid   96 and name HN   )   ( resid   97 and name HG1* )   4.41  2.61  2.61
assign ( resid   97 and name HG1* )   ( resid   98 and name HD*  )   5.47  3.68  3.68
assign ( resid   94 and name HA   )   ( resid   97 and name HG2* )   3.27  1.48  1.48
assign ( resid   97 and name HG1* )   ( resid  101 and name HD*  )   4.51  2.71  2.71
assign ( resid   97 and name HG1* )   ( resid   98 and name HA   )   3.90  2.11  2.11
assign ( resid   72 and name HN   )   ( resid  102 and name HD1* )   4.41  2.61  2.61
assign ( resid   72 and name HN   )   ( resid  102 and name HD2* )   4.35  2.56  2.56
assign ( resid   73 and name HN   )   ( resid  102 and name HD1* )   3.87  2.07  2.07
assign ( resid   64 and name HE22 )   ( resid  102 and name HD1* )   4.05  2.25  2.25
assign ( resid   64 and name HE22 )   ( resid  102 and name HD2* )   3.79  2.00  2.00
assign ( resid   76 and name HZ3  )   ( resid  102 and name HD1* )   3.92  2.13  2.13
assign ( resid   64 and name HE21 )   ( resid  102 and name HD1* )   4.05  2.25  2.25
assign ( resid   64 and name HE21 )   ( resid  102 and name HD2* )   3.79  2.00  2.00
assign ( resid   73 and name HA   )   ( resid  102 and name HD1* )   3.85  2.05  2.05
assign ( resid   69 and name HA   )   ( resid  102 and name HD1* )   4.08  2.29  2.29
assign ( resid   69 and name HD*  )   ( resid  102 and name HD1* )   4.45  2.66  2.66
assign ( resid   73 and name HA   )   ( resid  102 and name HD2* )   3.83  2.04  2.04
assign ( resid   69 and name HA   )   ( resid  102 and name HD2* )   4.21  2.41  2.41
assign ( resid   69 and name HD*  )   ( resid  102 and name HD2* )   4.38  2.58  2.58
assign ( resid  106 and name HB2  )   ( resid  107 and name HB*  )   4.41  2.61  2.61
assign ( resid  104 and name HD*  )   ( resid  107 and name HB*  )   4.85  3.05  3.05
assign ( resid  106 and name HB1  )   ( resid  107 and name HB*  )   4.41  2.61  2.61
assign ( resid   19 and name HE*  )   ( resid   52 and name HA   )   4.41  2.61  2.61
assign ( resid   89 and name HG1  )   ( resid   92 and name HG2* )   4.35  2.56  2.56
assign ( resid   54 and name HA   )   ( resid   91 and name HG2* )   3.71  1.91  1.91
assign ( resid   92 and name HG1* )   ( resid   93 and name HA   )   3.74  1.95  1.95
assign ( resid   80 and name HN   )   ( resid   95 and name HD2* )   4.14  2.34  2.34
assign ( resid   95 and name HD2* )   ( resid   98 and name HD*  )   5.02  3.23  3.23
assign ( resid   76 and name HA   )   ( resid   95 and name HD2* )   3.61  1.82  1.82
assign ( resid   80 and name HA   )   ( resid   95 and name HD2* )   3.92  2.13  2.13
assign ( resid   57 and name HA   )   ( resid   95 and name HD1* )   3.63  1.84  1.84
assign ( resid   76 and name HB1  )   ( resid   95 and name HD2* )   4.12  2.32  2.32
assign ( resid   57 and name HB1  )   ( resid   95 and name HD2* )   4.10  2.31  2.31
assign ( resid   91 and name HG2* )   ( resid   92 and name HN   )   3.35  1.55  1.55
assign ( resid   39 and name HD1* )   ( resid   43 and name HD*  )   4.85  3.05  3.05
assign ( resid   45 and name HB*  )   ( resid   46 and name HD1* )   4.92  3.12  3.12
assign ( resid   45 and name HB*  )   ( resid   46 and name HD2* )   4.92  3.12  3.12
assign ( resid   35 and name HE*  )   ( resid   62 and name HG2* )   5.47  3.68  3.68
assign ( resid   39 and name HA   )   ( resid   62 and name HG2* )   3.33  1.53  1.53
assign ( resid   35 and name HA   )   ( resid   62 and name HG2* )   3.38  1.59  1.59
assign ( resid   35 and name HB1  )   ( resid   62 and name HG2* )   3.49  1.69  1.69
assign ( resid   39 and name HG   )   ( resid   62 and name HG2* )   3.31  1.51  1.51
assign ( resid   35 and name HB2  )   ( resid   62 and name HG2* )   3.90  2.11  2.11
assign ( resid   63 and name HD2* )   ( resid   68 and name HB*  )   4.72  2.93  2.93
assign ( resid   72 and name HB*  )   ( resid  102 and name HD1* )   4.57  2.78  2.78
assign ( resid    5 and name HB   )   ( resid   25 and name HD2* )   4.10  2.31  2.31
assign ( resid    5 and name HB   )   ( resid   25 and name HD1* )   4.12  2.32  2.32
assign ( resid    5 and name HG2* )   ( resid   28 and name HB   )   3.31  1.51  1.51
assign ( resid   22 and name HD*  )   ( resid   44 and name HB*  )   4.85  3.05  3.05
assign ( resid   12 and name HD2* )   ( resid   17 and name HB2  )   5.50  3.71  3.71
assign ( resid   12 and name HD2* )   ( resid   17 and name HB1  )   5.50  3.71  3.71
assign ( resid   73 and name HA   )   ( resid   99 and name HD2* )   3.47  1.68  1.68
assign ( resid   76 and name HB2  )   ( resid   99 and name HD2* )   3.38  1.59  1.59
assign ( resid   77 and name HG2  )   ( resid   99 and name HD2* )   3.78  1.98  1.98
assign ( resid   77 and name HG1  )   ( resid   99 and name HD1* )   4.01  2.22  2.22
assign ( resid   77 and name HG2  )   ( resid   99 and name HD1* )   4.01  2.22  2.22
assign ( resid   76 and name HB1  )   ( resid   99 and name HD1* )   3.99  2.20  2.20
assign ( resid   77 and name HA   )   ( resid   99 and name HD1* )   3.26  1.46  1.46
assign ( resid   76 and name HN   )   ( resid   99 and name HD1* )   4.01  2.22  2.22
assign ( resid   76 and name HB1  )   ( resid   99 and name HD2* )   4.08  2.29  2.29
assign ( resid   54 and name HG1* )   ( resid   57 and name HD*  )   4.56  2.77  2.77
assign ( resid   57 and name HD*  )   ( resid   95 and name HD1* )   4.60  2.80  2.80
assign ( resid   54 and name HG2* )   ( resid   57 and name HD*  )   4.81  3.02  3.02
assign ( resid   57 and name HE*  )   ( resid   91 and name HG2* )   4.85  3.05  3.05
assign ( resid   46 and name HD1* )   ( resid   56 and name HN   )   4.41  2.61  2.61
assign ( resid   46 and name HD1* )   ( resid   55 and name HB*  )   4.25  2.46  2.46
assign ( resid    3 and name HB*  )   ( resid    4 and name HG2* )   4.92  3.12  3.12
assign ( resid    3 and name HB*  )   ( resid    5 and name HG2* )   4.92  3.12  3.12
assign ( resid   30 and name HB*  )   ( resid   58 and name HH2  )   3.69  1.89  1.89
assign ( resid   34 and name HG*  )   ( resid   37 and name HB*  )   4.85  3.05  3.05
assign ( resid   44 and name HB*  )   ( resid   46 and name HN   )   4.14  2.34  2.34
assign ( resid   51 and name HG2* )   ( resid   82 and name HB*  )   4.86  3.07  3.07
assign ( resid    3 and name HB*  )   ( resid    6 and name HG*  )   4.29  2.49  2.49
assign ( resid    3 and name HB*  )   ( resid   28 and name HG2* )   4.92  3.12  3.12
assign ( resid   38 and name HB*  )   ( resid   42 and name HD2* )   4.92  3.12  3.12
assign ( resid   50 and name HB1  )   ( resid   51 and name HG2* )   4.41  2.61  2.61
assign ( resid   42 and name HD1* )   ( resid   55 and name HB*  )   4.83  3.03  3.03
assign ( resid   46 and name HB1  )   ( resid   55 and name HB*  )   4.03  2.23  2.23
assign ( resid   39 and name HD1* )   ( resid   62 and name HG2* )   4.54  2.74  2.74
assign ( resid   59 and name HD2* )   ( resid   62 and name HG2* )   4.52  2.73  2.73
assign ( resid   63 and name HD2* )   ( resid   75 and name HB*  )   4.57  2.78  2.78
assign ( resid   89 and name HA   )   ( resid   92 and name HG1* )   3.52  1.73  1.73
assign ( resid   80 and name HD1* )   ( resid   84 and name HG2  )   3.90  2.11  2.11
assign ( resid   80 and name HD1* )   ( resid   84 and name HG1  )   3.90  2.11  2.11
assign ( resid   83 and name HB*  )   ( resid   91 and name HB   )   3.42  1.62  1.62
assign ( resid   83 and name HB*  )   ( resid   92 and name HG1* )   4.30  2.51  2.51
assign ( resid   84 and name HB1  )   ( resid   92 and name HG2* )   3.83  2.04  2.04
assign ( resid   84 and name HB2  )   ( resid   92 and name HG2* )   3.83  2.04  2.04
assign ( resid   80 and name HA   )   ( resid   92 and name HG2* )   3.69  1.89  1.89
assign ( resid   83 and name HB*  )   ( resid   95 and name HD1* )   4.92  3.12  3.12
assign ( resid   91 and name HG2* )   ( resid   94 and name HN   )   3.96  2.16  2.16
assign ( resid   53 and name HN   )   ( resid   82 and name HB*  )   4.41  2.61  2.61
assign ( resid   93 and name HB*  )   ( resid   97 and name HG2* )   4.51  2.71  2.71
assign ( resid    2 and name HB2  )   ( resid    2 and name HE21 )   3.56  1.76  1.76
assign ( resid    2 and name HB1  )   ( resid    2 and name HE21 )   3.56  1.76  1.76
assign ( resid    2 and name HB2  )   ( resid    2 and name HE22 )   3.56  1.76  1.76
assign ( resid    2 and name HB1  )   ( resid    2 and name HE22 )   3.56  1.76  1.76
assign ( resid   14 and name HB2  )   ( resid   14 and name HE21 )   4.24  2.45  2.45
assign ( resid   14 and name HB1  )   ( resid   14 and name HE21 )   4.24  2.45  2.45
assign ( resid   74 and name HB*  )   ( resid   74 and name HE21 )   4.34  2.54  2.54
assign ( resid   74 and name HB*  )   ( resid   74 and name HE22 )   4.34  2.54  2.54
assign ( resid   84 and name HB2  )   ( resid   84 and name HE21 )   3.41  1.62  1.62
assign ( resid   84 and name HB1  )   ( resid   84 and name HE21 )   3.41  1.62  1.62
assign ( resid   84 and name HB2  )   ( resid   84 and name HE22 )   3.41  1.62  1.62
assign ( resid   84 and name HB1  )   ( resid   84 and name HE22 )   3.41  1.62  1.62
assign ( resid   89 and name HA   )   ( resid   89 and name HE21 )   3.45  1.65  1.65
assign ( resid   89 and name HA   )   ( resid   89 and name HE22 )   3.45  1.65  1.65
assign ( resid   90 and name HB2  )   ( resid   90 and name HE21 )   4.31  2.51  2.51
assign ( resid   90 and name HB1  )   ( resid   90 and name HE21 )   4.31  2.51  2.51
assign ( resid   90 and name HB2  )   ( resid   90 and name HE22 )   4.31  2.51  2.51
assign ( resid   61 and name HN   )   ( resid   76 and name HE1  )   2.75  0.95  0.95
assign ( resid   32 and name HA   )   ( resid   32 and name HD2  )   2.84  1.04  1.04
assign ( resid   53 and name HA   )   ( resid   56 and name HD1  )   3.18  1.38  1.38
assign ( resid   76 and name HA   )   ( resid   76 and name HD1  )   2.89  1.09  1.09
assign ( resid   52 and name HD*  )   ( resid   53 and name HN   )   4.55  2.75  2.75
assign ( resid   98 and name HD*  )   ( resid   99 and name HN   )   4.85  3.06  3.06
assign ( resid   25 and name HG   )   ( resid   29 and name HE*  )   4.96  3.17  3.17
assign ( resid   31 and name HB1  )   ( resid   32 and name HD2  )   3.54  1.74  1.74
assign ( resid   30 and name HA   )   ( resid   35 and name HD*  )   4.13  2.34  2.34
assign ( resid   30 and name HA   )   ( resid   35 and name HE*  )   4.44  2.65  2.65
assign ( resid   45 and name HA   )   ( resid   48 and name HD*  )   4.01  2.21  2.21
assign ( resid   20 and name HG   )   ( resid   52 and name HD*  )   4.78  2.99  2.99
assign ( resid   52 and name HE*  )   ( resid   54 and name HB   )   4.68  2.88  2.88
assign ( resid   27 and name HE1  )   ( resid   58 and name HE1  )   3.00  1.20  1.20
assign ( resid   27 and name HE2  )   ( resid   58 and name HE1  )   3.00  1.20  1.20
assign ( resid   60 and name HA1  )   ( resid   76 and name HE1  )   3.90  2.10  2.10
assign ( resid   95 and name HA   )   ( resid   98 and name HD*  )   4.03  2.23  2.23
assign ( resid   31 and name HG1  )   ( resid   58 and name HH2  )   3.30  1.51  1.51
assign ( resid   61 and name HN   )   ( resid   76 and name HZ2  )   2.94  1.15  1.15
assign ( resid   61 and name HA   )   ( resid   76 and name HZ2  )   2.78  0.99  0.99
assign ( resid   56 and name HA   )   ( resid   56 and name HD1  )   3.41  1.62  1.62
assign ( resid   60 and name HA2  )   ( resid   76 and name HE1  )   3.90  2.10  2.10
assign ( resid   29 and name HD*  )   ( resid   37 and name HB*  )   4.53  2.74  2.74
assign ( resid   29 and name HE*  )   ( resid   38 and name HB*  )   4.84  3.05  3.05
assign ( resid    5 and name HG2* )   ( resid   29 and name HE*  )   4.43  2.63  2.63
assign ( resid   29 and name HE*  )   ( resid   37 and name HB*  )   4.50  2.71  2.71
assign ( resid   25 and name HD1* )   ( resid   29 and name HE*  )   4.16  2.36  2.36
assign ( resid   28 and name HG2* )   ( resid   32 and name HD2  )   2.86  1.06  1.06
assign ( resid   35 and name HD*  )   ( resid   62 and name HG2* )   4.43  2.63  2.63
assign ( resid   30 and name HB*  )   ( resid   35 and name HE*  )   4.34  2.54  2.54
assign ( resid   52 and name HD*  )   ( resid   55 and name HB*  )   3.85  2.06  2.06
assign ( resid   19 and name HE*  )   ( resid   52 and name HD*  )   4.25  2.45  2.45
assign ( resid   52 and name HD*  )   ( resid   54 and name HG1* )   4.66  2.87  2.87
assign ( resid   52 and name HD*  )   ( resid   54 and name HG2* )   4.32  2.52  2.52
assign ( resid   46 and name HD2* )   ( resid   52 and name HD*  )   4.82  3.03  3.03
assign ( resid   52 and name HE*  )   ( resid   55 and name HB*  )   4.34  2.54  2.54
assign ( resid   19 and name HE*  )   ( resid   52 and name HE*  )   4.56  2.76  2.76
assign ( resid   52 and name HE*  )   ( resid   54 and name HG1* )   4.45  2.65  2.65
assign ( resid   52 and name HE*  )   ( resid   54 and name HG2* )   4.16  2.36  2.36
assign ( resid   56 and name HD1  )   ( resid   82 and name HB*  )   3.24  1.44  1.44
assign ( resid   56 and name HE1  )   ( resid   82 and name HB*  )   3.04  1.24  1.24
assign ( resid   46 and name HD2* )   ( resid   56 and name HE1  )   2.62  0.83  0.83
assign ( resid   54 and name HG1* )   ( resid   58 and name HD1  )   2.75  0.96  0.96
assign ( resid   54 and name HG1* )   ( resid   58 and name HE1  )   2.81  1.01  1.01
assign ( resid   54 and name HG2* )   ( resid   58 and name HE1  )   3.43  1.64  1.64
assign ( resid   76 and name HE1  )   ( resid   95 and name HD2* )   2.86  1.06  1.06
assign ( resid   16 and name HG2* )   ( resid   18 and name HD21 )   3.16  1.37  1.37
assign ( resid   16 and name HG2* )   ( resid   18 and name HD22 )   3.16  1.37  1.37
assign ( resid   30 and name HB*  )   ( resid   58 and name HZ3  )   2.88  1.08  1.08
assign ( resid   76 and name HD1  )   ( resid   95 and name HD2* )   2.93  1.14  1.14
assign ( resid   76 and name HZ3  )   ( resid  102 and name HD2* )   2.79  0.99  0.99
assign ( resid   25 and name HD2* )   ( resid   29 and name HE*  )   4.03  2.24  2.24
assign ( resid   25 and name HD2* )   ( resid   29 and name HD*  )   4.95  3.15  3.15
assign ( resid   45 and name HB*  )   ( resid   48 and name HD*  )   4.72  2.92  2.92
assign ( resid    2 and name HN   )   ( resid    2 and name HB*  )   2.46  0.67  0.67
assign ( resid    2 and name HB*  )   ( resid    3 and name HN   )   2.68  0.89  0.89
assign ( resid    2 and name HB*  )   ( resid    3 and name HB*  )   4.09  2.30  2.30
assign ( resid    3 and name HA   )   ( resid    4 and name HG1* )   3.83  2.04  2.04
assign ( resid    3 and name HB*  )   ( resid    6 and name HB*  )   4.23  2.44  2.44
assign ( resid    4 and name HN   )   ( resid    4 and name HG1* )   2.69  0.90  0.90
assign ( resid    4 and name HG1* )   ( resid    5 and name HN   )   4.34  2.54  2.54
assign ( resid    5 and name HA   )   ( resid    8 and name HB*  )   3.26  1.46  1.46
assign ( resid    6 and name HN   )   ( resid    7 and name HG*  )   3.31  1.52  1.52
assign ( resid    6 and name HB*  )   ( resid    7 and name HN   )   2.84  1.04  1.04
assign ( resid    7 and name HN   )   ( resid    7 and name HG*  )   2.89  1.09  1.09
assign ( resid    7 and name HN   )   ( resid    8 and name HB*  )   3.38  1.59  1.59
assign ( resid    7 and name HA   )   ( resid    7 and name HG*  )   2.87  1.07  1.07
assign ( resid    7 and name HG*  )   ( resid    8 and name HN   )   2.85  1.05  1.05
assign ( resid    8 and name HN   )   ( resid    8 and name HB*  )   2.69  0.89  0.89
assign ( resid    8 and name HA   )   ( resid   11 and name HB*  )   3.38  1.59  1.59
assign ( resid    8 and name HB*  )   ( resid    9 and name HN   )   3.06  1.27  1.27
assign ( resid    8 and name HD1* )   ( resid   25 and name HB*  )   4.41  2.62  2.62
assign ( resid    8 and name HD2* )   ( resid   11 and name HG*  )   4.81  3.02  3.02
assign ( resid    9 and name HN   )   ( resid    9 and name HB*  )   2.64  0.84  0.84
assign ( resid    9 and name HN   )   ( resid    9 and name HG*  )   2.99  1.19  1.19
assign ( resid    9 and name HB*  )   ( resid   10 and name HN   )   2.90  1.10  1.10
assign ( resid    9 and name HG*  )   ( resid   25 and name HD1* )   4.77  2.98  2.98
assign ( resid    9 and name HG*  )   ( resid   25 and name HD2* )   4.22  2.42  2.42
assign ( resid   11 and name HN   )   ( resid   11 and name HG*  )   2.92  1.12  1.12
assign ( resid   11 and name HN   )   ( resid   12 and name HD*  )   4.71  2.92  2.92
assign ( resid   11 and name HA   )   ( resid   11 and name HG*  )   2.77  0.97  0.97
assign ( resid   11 and name HB*  )   ( resid   12 and name HD*  )   5.62  3.83  3.83
assign ( resid   11 and name HG*  )   ( resid   12 and name HD*  )   4.94  3.14  3.14
assign ( resid   11 and name HE*  )   ( resid   12 and name HD*  )   4.83  3.03  3.03
assign ( resid   12 and name HN   )   ( resid   12 and name HB*  )   2.83  1.04  1.04
assign ( resid   12 and name HN   )   ( resid   12 and name HD*  )   3.80  2.01  2.01
assign ( resid   12 and name HB*  )   ( resid   13 and name HN   )   2.68  0.89  0.89
assign ( resid   12 and name HD*  )   ( resid   13 and name HN   )   4.46  2.67  2.67
assign ( resid   12 and name HD*  )   ( resid   15 and name HN   )   5.18  3.39  3.39
assign ( resid   12 and name HD*  )   ( resid   16 and name HN   )   4.79  2.99  2.99
assign ( resid   12 and name HD*  )   ( resid   16 and name HA   )   4.52  2.72  2.72
assign ( resid   12 and name HD*  )   ( resid   16 and name HB   )   4.30  2.50  2.50
assign ( resid   12 and name HD*  )   ( resid   17 and name HN   )   4.95  3.15  3.15
assign ( resid   12 and name HD*  )   ( resid   17 and name HA   )   4.41  2.61  2.61
assign ( resid   12 and name HD*  )   ( resid   17 and name HB*  )   4.66  2.87  2.87
assign ( resid   12 and name HD1* )   ( resid   17 and name HB2  )   5.50  3.71  3.71
assign ( resid   12 and name HD1* )   ( resid   17 and name HB1  )   5.50  3.71  3.71
assign ( resid   12 and name HD*  )   ( resid   21 and name HA   )   4.68  2.88  2.88
assign ( resid   13 and name HB*  )   ( resid   14 and name HG*  )   3.84  2.05  2.05
assign ( resid   13 and name HB*  )   ( resid   14 and name HE2* )   3.16  1.37  1.37
assign ( resid   14 and name HN   )   ( resid   14 and name HB*  )   2.60  0.81  0.81
assign ( resid   14 and name HN   )   ( resid   14 and name HG*  )   2.77  0.97  0.97
assign ( resid   14 and name HA   )   ( resid   14 and name HG*  )   2.83  1.04  1.04
assign ( resid   14 and name HB2  )   ( resid   14 and name HE22 )   4.24  2.45  2.45
assign ( resid   14 and name HB1  )   ( resid   14 and name HE22 )   4.24  2.45  2.45
assign ( resid   14 and name HB*  )   ( resid   15 and name HN   )   3.07  1.27  1.27
assign ( resid   14 and name HG*  )   ( resid   15 and name HN   )   4.34  2.54  2.54
assign ( resid   16 and name HG2* )   ( resid   18 and name HD2* )   3.02  1.23  1.23
assign ( resid   17 and name HN   )   ( resid   17 and name HB*  )   2.58  0.79  0.79
assign ( resid   18 and name HB*  )   ( resid   19 and name HN   )   2.57  0.78  0.78
assign ( resid   19 and name HG*  )   ( resid   45 and name HB*  )   3.85  2.06  2.06
assign ( resid   19 and name HG*  )   ( resid   48 and name HB*  )   4.14  2.34  2.34
assign ( resid   19 and name HG*  )   ( resid   49 and name HN   )   3.74  1.95  1.95
assign ( resid   19 and name HG*  )   ( resid   49 and name HB*  )   3.88  2.09  2.09
assign ( resid   19 and name HG2  )   ( resid   49 and name HB2  )   4.49  2.69  2.69
assign ( resid   19 and name HG1  )   ( resid   49 and name HB2  )   4.49  2.69  2.69
assign ( resid   19 and name HG*  )   ( resid   52 and name HD*  )   5.19  3.39  3.39
assign ( resid   19 and name HE*  )   ( resid   20 and name HD*  )   4.28  2.49  2.49
assign ( resid   20 and name HN   )   ( resid   20 and name HB*  )   2.80  1.00  1.00
assign ( resid   20 and name HN   )   ( resid   20 and name HD*  )   3.96  2.17  2.17
assign ( resid   20 and name HD*  )   ( resid   21 and name HN   )   5.18  3.39  3.39
assign ( resid   20 and name HD*  )   ( resid   23 and name HA   )   4.71  2.92  2.92
assign ( resid   20 and name HD*  )   ( resid   23 and name HB*  )   5.08  3.29  3.29
assign ( resid   20 and name HD*  )   ( resid   23 and name HD*  )   5.69  3.89  3.89
assign ( resid   20 and name HD*  )   ( resid   52 and name HE*  )   5.29  3.50  3.50
assign ( resid   21 and name HN   )   ( resid   21 and name HB*  )   2.83  1.03  1.03
assign ( resid   21 and name HB*  )   ( resid   25 and name HD1* )   4.25  2.46  2.46
assign ( resid   23 and name HN   )   ( resid   23 and name HB*  )   2.67  0.87  0.87
assign ( resid   23 and name HA   )   ( resid   42 and name HD*  )   4.05  2.25  2.25
assign ( resid   23 and name HB*  )   ( resid   45 and name HB*  )   4.41  2.62  2.62
assign ( resid   23 and name HD*  )   ( resid   42 and name HD*  )   5.72  3.93  3.93
assign ( resid   25 and name HN   )   ( resid   25 and name HB*  )   2.66  0.86  0.86
assign ( resid   26 and name HN   )   ( resid   41 and name HB*  )   4.00  2.20  2.20
assign ( resid   26 and name HN   )   ( resid   42 and name HD*  )   5.18  3.39  3.39
assign ( resid   26 and name HA*  )   ( resid   38 and name HB*  )   3.98  2.19  2.19
assign ( resid   26 and name HA*  )   ( resid   42 and name HD*  )   4.41  2.62  2.62
assign ( resid   26 and name HA2  )   ( resid   42 and name HD1* )   5.29  3.49  3.49
assign ( resid   26 and name HA2  )   ( resid   42 and name HD2* )   5.29  3.49  3.49
assign ( resid   27 and name HN   )   ( resid   27 and name HG*  )   3.66  1.86  1.86
assign ( resid   27 and name HN   )   ( resid   27 and name HD*  )   3.47  1.68  1.68
assign ( resid   27 and name HN   )   ( resid   42 and name HD*  )   4.46  2.67  2.67
assign ( resid   27 and name HA   )   ( resid   27 and name HD*  )   4.34  2.54  2.54
assign ( resid   27 and name HB*  )   ( resid   27 and name HE*  )   3.64  1.84  1.84
assign ( resid   27 and name HB*  )   ( resid   28 and name HN   )   3.00  1.21  1.21
assign ( resid   27 and name HG*  )   ( resid   28 and name HN   )   4.34  2.54  2.54
assign ( resid   27 and name HD*  )   ( resid   58 and name HE1  )   3.40  1.61  1.61
assign ( resid   27 and name HE*  )   ( resid   58 and name HE1  )   2.77  0.98  0.98
assign ( resid   27 and name HE*  )   ( resid   58 and name HH2  )   4.23  2.43  2.43
assign ( resid   28 and name HN   )   ( resid   31 and name HB*  )   3.76  1.97  1.97
assign ( resid   28 and name HG2* )   ( resid   31 and name HB*  )   4.85  3.05  3.05
assign ( resid   29 and name HN   )   ( resid   29 and name HB*  )   2.84  1.05  1.05
assign ( resid   29 and name HB*  )   ( resid   38 and name HN   )   3.38  1.58  1.58
assign ( resid   29 and name HB*  )   ( resid   38 and name HB*  )   3.40  1.60  1.60
assign ( resid   29 and name HD*  )   ( resid   34 and name HB*  )   4.59  2.80  2.80
assign ( resid   30 and name HB*  )   ( resid   42 and name HD*  )   5.69  3.90  3.90
assign ( resid   31 and name HN   )   ( resid   31 and name HB*  )   2.62  0.82  0.82
assign ( resid   31 and name HN   )   ( resid   31 and name HG*  )   2.75  0.95  0.95
assign ( resid   31 and name HB*  )   ( resid   32 and name HN   )   3.13  1.34  1.34
assign ( resid   31 and name HB*  )   ( resid   32 and name HD2  )   3.31  1.51  1.51
assign ( resid   31 and name HG*  )   ( resid   58 and name HH2  )   3.23  1.43  1.43
assign ( resid   32 and name HN   )   ( resid   32 and name HB*  )   2.55  0.75  0.75
assign ( resid   32 and name HB*  )   ( resid   34 and name HN   )   3.55  1.75  1.75
assign ( resid   33 and name HN   )   ( resid   33 and name HG*  )   3.37  1.57  1.57
assign ( resid   33 and name HG*  )   ( resid   35 and name HE*  )   4.86  3.07  3.07
assign ( resid   33 and name HG*  )   ( resid   35 and name HZ   )   3.24  1.44  1.44
assign ( resid   34 and name HN   )   ( resid   34 and name HB*  )   2.83  1.04  1.04
assign ( resid   34 and name HB*  )   ( resid   37 and name HB*  )   3.87  2.08  2.08
assign ( resid   36 and name HN   )   ( resid   36 and name HB*  )   2.41  0.62  0.62
assign ( resid   38 and name HB*  )   ( resid   42 and name HD*  )   4.55  2.76  2.76
assign ( resid   39 and name HN   )   ( resid   40 and name HD*  )   3.26  1.47  1.47
assign ( resid   39 and name HB2  )   ( resid   40 and name HD*  )   3.12  1.32  1.32
assign ( resid   39 and name HB1  )   ( resid   40 and name HD*  )   3.08  1.28  1.28
assign ( resid   39 and name HG   )   ( resid   40 and name HD*  )   3.47  1.67  1.67
assign ( resid   39 and name HD1* )   ( resid   40 and name HD*  )   4.35  2.56  2.56
assign ( resid   39 and name HD2* )   ( resid   40 and name HD*  )   4.32  2.52  2.52
assign ( resid   40 and name HB*  )   ( resid   41 and name HN   )   2.87  1.08  1.08
assign ( resid   40 and name HG*  )   ( resid   41 and name HN   )   2.82  1.03  1.03
assign ( resid   40 and name HD*  )   ( resid   41 and name HN   )   2.92  1.13  1.13
assign ( resid   40 and name HD*  )   ( resid   62 and name HG2* )   4.85  3.06  3.06
assign ( resid   41 and name HN   )   ( resid   41 and name HB*  )   2.67  0.87  0.87
assign ( resid   41 and name HN   )   ( resid   42 and name HD*  )   4.89  3.10  3.10
assign ( resid   42 and name HN   )   ( resid   42 and name HB*  )   2.83  1.03  1.03
assign ( resid   42 and name HN   )   ( resid   42 and name HD*  )   3.56  1.77  1.77
assign ( resid   42 and name HA   )   ( resid   42 and name HD*  )   3.10  1.30  1.30
assign ( resid   42 and name HD*  )   ( resid   45 and name HB*  )   5.69  3.90  3.90
assign ( resid   42 and name HD*  )   ( resid   55 and name HA   )   4.93  3.13  3.13
assign ( resid   42 and name HD*  )   ( resid   58 and name HB*  )   4.50  2.70  2.70
assign ( resid   42 and name HD1* )   ( resid   58 and name HB2  )   5.39  3.60  3.60
assign ( resid   42 and name HD1* )   ( resid   58 and name HB1  )   5.39  3.60  3.60
assign ( resid   42 and name HD*  )   ( resid   58 and name HE3  )   4.98  3.19  3.19
assign ( resid   42 and name HD*  )   ( resid   62 and name HN   )   4.23  2.43  2.43
assign ( resid   42 and name HD*  )   ( resid   62 and name HB   )   4.41  2.61  2.61
assign ( resid   42 and name HD*  )   ( resid   62 and name HG2* )   5.12  3.32  3.32
assign ( resid   43 and name HN   )   ( resid   43 and name HB*  )   2.45  0.66  0.66
assign ( resid   43 and name HB*  )   ( resid   44 and name HN   )   2.90  1.10  1.10
assign ( resid   44 and name HB*  )   ( resid   47 and name HB*  )   4.38  2.58  2.58
assign ( resid   49 and name HN   )   ( resid   49 and name HB*  )   2.65  0.85  0.85
assign ( resid   49 and name HN   )   ( resid   50 and name HD*  )   3.96  2.17  2.17
assign ( resid   49 and name HA   )   ( resid   50 and name HG*  )   3.28  1.49  1.49
assign ( resid   50 and name HB*  )   ( resid   51 and name HG2* )   4.20  2.41  2.41
assign ( resid   50 and name HG*  )   ( resid   51 and name HG2* )   4.05  2.25  2.25
assign ( resid   50 and name HD*  )   ( resid   51 and name HN   )   3.34  1.54  1.54
assign ( resid   50 and name HD*  )   ( resid   51 and name HG2* )   4.85  3.06  3.06
assign ( resid   51 and name HN   )   ( resid   52 and name HB*  )   3.44  1.64  1.64
assign ( resid   51 and name HG2* )   ( resid   86 and name HG*  )   4.85  3.05  3.05
assign ( resid   51 and name HG2* )   ( resid   86 and name HD*  )   4.85  3.05  3.05
assign ( resid   52 and name HN   )   ( resid   52 and name HB*  )   2.44  0.65  0.65
assign ( resid   52 and name HB*  )   ( resid   55 and name HB*  )   4.04  2.24  2.24
assign ( resid   53 and name HN   )   ( resid   53 and name HB*  )   2.81  1.02  1.02
assign ( resid   53 and name HB*  )   ( resid   54 and name HN   )   3.11  1.32  1.32
assign ( resid   53 and name HB*  )   ( resid   82 and name HB*  )   4.36  2.57  2.57
assign ( resid   53 and name HB*  )   ( resid   83 and name HN   )   4.32  2.52  2.52
assign ( resid   53 and name HB*  )   ( resid   83 and name HA   )   4.09  2.29  2.29
assign ( resid   53 and name HB*  )   ( resid   83 and name HB*  )   4.02  2.22  2.22
assign ( resid   53 and name HB*  )   ( resid   91 and name HG1* )   3.68  1.88  1.88
assign ( resid   55 and name HA   )   ( resid   58 and name HB*  )   3.04  1.24  1.24
assign ( resid   56 and name HB*  )   ( resid   57 and name HN   )   2.65  0.85  0.85
assign ( resid   56 and name HB*  )   ( resid   95 and name HD1* )   4.29  2.49  2.49
assign ( resid   57 and name HN   )   ( resid   57 and name HG*  )   3.08  1.29  1.29
assign ( resid   57 and name HA   )   ( resid   57 and name HG*  )   2.84  1.05  1.05
assign ( resid   57 and name HG*  )   ( resid   95 and name HD1* )   4.54  2.75  2.75
assign ( resid   57 and name HG*  )   ( resid   95 and name HD2* )   3.87  2.08  2.08
assign ( resid   58 and name HN   )   ( resid   58 and name HB*  )   2.67  0.87  0.87
assign ( resid   58 and name HN   )   ( resid   61 and name HD*  )   4.03  2.24  2.24
assign ( resid   58 and name HA   )   ( resid   61 and name HD*  )   4.18  2.38  2.38
assign ( resid   58 and name HE3  )   ( resid   61 and name HE*  )   3.02  1.23  1.23
assign ( resid   60 and name HA*  )   ( resid   72 and name HA   )   3.51  1.71  1.71
assign ( resid   60 and name HA*  )   ( resid   72 and name HB*  )   4.17  2.38  2.38
assign ( resid   60 and name HA*  )   ( resid   75 and name HB*  )   4.29  2.49  2.49
assign ( resid   60 and name HA*  )   ( resid   76 and name HE1  )   3.60  1.80  1.80
assign ( resid   61 and name HN   )   ( resid   61 and name HB*  )   2.65  0.85  0.85
assign ( resid   61 and name HN   )   ( resid   61 and name HG*  )   2.84  1.04  1.04
assign ( resid   61 and name HN   )   ( resid   61 and name HE*  )   3.75  1.95  1.95
assign ( resid   61 and name HB*  )   ( resid   61 and name HE*  )   2.80  1.01  1.01
assign ( resid   61 and name HB*  )   ( resid   98 and name HE*  )   5.10  3.30  3.30
assign ( resid   61 and name HG*  )   ( resid   76 and name HE1  )   3.20  1.41  1.41
assign ( resid   61 and name HG*  )   ( resid   76 and name HZ2  )   3.28  1.48  1.48
assign ( resid   61 and name HD*  )   ( resid   98 and name HZ   )   3.83  2.04  2.04
assign ( resid   61 and name HE*  )   ( resid   98 and name HZ   )   3.89  2.09  2.09
assign ( resid   63 and name HD1* )   ( resid   71 and name HA*  )   3.77  1.98  1.98
assign ( resid   64 and name HN   )   ( resid   64 and name HB*  )   2.80  1.01  1.01
assign ( resid   64 and name HA   )   ( resid   64 and name HG*  )   2.76  0.96  0.96
assign ( resid   64 and name HB*  )   ( resid   72 and name HB*  )   3.93  2.13  2.13
assign ( resid   64 and name HG*  )   ( resid   65 and name HN   )   3.62  1.82  1.82
assign ( resid   64 and name HG*  )   ( resid   72 and name HB*  )   4.09  2.30  2.30
assign ( resid   64 and name HE2* )   ( resid  102 and name HD1* )   3.93  2.13  2.13
assign ( resid   66 and name HN   )   ( resid   66 and name HB*  )   2.81  1.01  1.01
assign ( resid   69 and name HB*  )   ( resid   70 and name HN   )   2.86  1.07  1.07
assign ( resid   69 and name HG*  )   ( resid   70 and name HN   )   3.11  1.32  1.32
assign ( resid   70 and name HB*  )   ( resid   71 and name HA*  )   3.80  2.00  2.00
assign ( resid   72 and name HB*  )   ( resid   73 and name HB*  )   3.91  2.12  2.12
assign ( resid   73 and name HN   )   ( resid   73 and name HB*  )   2.78  0.98  0.98
assign ( resid   73 and name HG*  )   ( resid   77 and name HN   )   3.96  2.16  2.16
assign ( resid   74 and name HA   )   ( resid   74 and name HE2* )   3.93  2.14  2.14
assign ( resid   76 and name HZ3  )   ( resid  102 and name HB*  )   3.29  1.50  1.50
assign ( resid   77 and name HA   )   ( resid   77 and name HG*  )   2.77  0.98  0.98
assign ( resid   77 and name HB*  )   ( resid   78 and name HN   )   2.60  0.80  0.80
assign ( resid   77 and name HB*  )   ( resid   99 and name HD1* )   4.38  2.58  2.58
assign ( resid   77 and name HG*  )   ( resid   78 and name HN   )   3.67  1.88  1.88
assign ( resid   77 and name HG*  )   ( resid   99 and name HD1* )   3.94  2.15  2.15
assign ( resid   77 and name HG*  )   ( resid   99 and name HD2* )   3.71  1.91  1.91
assign ( resid   79 and name HA*  )   ( resid   82 and name HN   )   3.69  1.89  1.89
assign ( resid   79 and name HA*  )   ( resid   82 and name HB*  )   3.70  1.90  1.90
assign ( resid   80 and name HG   )   ( resid   84 and name HG*  )   3.29  1.50  1.50
assign ( resid   80 and name HD1* )   ( resid   84 and name HG*  )   3.79  2.00  2.00
assign ( resid   80 and name HD1* )   ( resid   96 and name HG*  )   3.91  2.12  2.12
assign ( resid   80 and name HD2* )   ( resid   84 and name HG*  )   4.60  2.80  2.80
assign ( resid   80 and name HD2* )   ( resid   84 and name HE2* )   4.84  3.04  3.04
assign ( resid   81 and name HA   )   ( resid   84 and name HB*  )   2.62  0.82  0.82
assign ( resid   83 and name HA   )   ( resid   86 and name HB*  )   3.16  1.37  1.37
assign ( resid   83 and name HA   )   ( resid   88 and name HB*  )   3.51  1.71  1.71
assign ( resid   83 and name HB*  )   ( resid   84 and name HB*  )   4.77  2.98  2.98
assign ( resid   83 and name HB*  )   ( resid   84 and name HG*  )   4.31  2.51  2.51
assign ( resid   83 and name HB*  )   ( resid   86 and name HB*  )   4.56  2.76  2.76
assign ( resid   83 and name HB*  )   ( resid   88 and name HB*  )   3.56  1.77  1.77
assign ( resid   84 and name HN   )   ( resid   84 and name HG*  )   2.56  0.77  0.77
assign ( resid   84 and name HA   )   ( resid   84 and name HG*  )   2.55  0.75  0.75
assign ( resid   84 and name HA   )   ( resid   84 and name HE2* )   3.84  2.05  2.05
assign ( resid   84 and name HB*  )   ( resid   84 and name HE2* )   2.99  1.19  1.19
assign ( resid   84 and name HB*  )   ( resid   92 and name HG1* )   4.07  2.28  2.28
assign ( resid   84 and name HB*  )   ( resid   92 and name HG2* )   3.71  1.91  1.91
assign ( resid   84 and name HG*  )   ( resid   92 and name HG1* )   3.81  2.01  2.01
assign ( resid   84 and name HG*  )   ( resid   92 and name HG2* )   3.16  1.37  1.37
assign ( resid   84 and name HE2* )   ( resid   92 and name HG1* )   3.99  2.20  2.20
assign ( resid   85 and name HN   )   ( resid   86 and name HB*  )   3.49  1.70  1.70
assign ( resid   85 and name HB*  )   ( resid   86 and name HG*  )   3.99  2.19  2.19
assign ( resid   86 and name HN   )   ( resid   86 and name HB*  )   2.57  0.78  0.78
assign ( resid   86 and name HN   )   ( resid   86 and name HG*  )   2.75  0.95  0.95
assign ( resid   86 and name HA   )   ( resid   86 and name HG*  )   2.61  0.81  0.81
assign ( resid   86 and name HA   )   ( resid   86 and name HD*  )   3.03  1.23  1.23
assign ( resid   86 and name HB*  )   ( resid   88 and name HN   )   3.37  1.57  1.57
assign ( resid   86 and name HB*  )   ( resid   88 and name HB*  )   4.06  2.26  2.26
assign ( resid   87 and name HN   )   ( resid   88 and name HB*  )   3.76  1.97  1.97
assign ( resid   88 and name HB*  )   ( resid   91 and name HN   )   3.20  1.40  1.40
assign ( resid   88 and name HB*  )   ( resid   91 and name HB   )   2.85  1.06  1.06
assign ( resid   88 and name HB*  )   ( resid   91 and name HG2* )   3.89  2.10  2.10
assign ( resid   88 and name HB*  )   ( resid   92 and name HG2* )   4.06  2.26  2.26
assign ( resid   89 and name HN   )   ( resid   89 and name HB*  )   2.51  0.71  0.71
assign ( resid   89 and name HA   )   ( resid   89 and name HG*  )   2.68  0.89  0.89
assign ( resid   89 and name HA   )   ( resid   89 and name HE2* )   3.21  1.41  1.41
assign ( resid   89 and name HB*  )   ( resid   89 and name HG*  )   2.08  0.29  0.29
assign ( resid   89 and name HG*  )   ( resid   90 and name HN   )   3.59  1.80  1.80
assign ( resid   89 and name HG*  )   ( resid   92 and name HG2* )   3.97  2.17  2.17
assign ( resid   89 and name HE2* )   ( resid   93 and name HD*  )   4.59  2.79  2.79
assign ( resid   89 and name HE2* )   ( resid   93 and name HE*  )   4.77  2.97  2.97
assign ( resid   90 and name HB1  )   ( resid   90 and name HE22 )   4.31  2.51  2.51
assign ( resid   90 and name HB*  )   ( resid   91 and name HN   )   2.70  0.90  0.90
assign ( resid   90 and name HB*  )   ( resid   91 and name HG2* )   4.16  2.36  2.36
assign ( resid   91 and name HA   )   ( resid   94 and name HG*  )   3.02  1.22  1.22
assign ( resid   93 and name HA   )   ( resid   93 and name HG*  )   2.73  0.94  0.94
assign ( resid   93 and name HB*  )   ( resid   94 and name HG*  )   4.36  2.57  2.57
assign ( resid   93 and name HG*  )   ( resid   94 and name HN   )   4.34  2.54  2.54
assign ( resid   94 and name HA   )   ( resid   94 and name HG*  )   2.58  0.79  0.79
assign ( resid   95 and name HB*  )   ( resid   96 and name HN   )   2.65  0.86  0.86
assign ( resid   95 and name HD2* )   ( resid   98 and name HB*  )   3.91  2.12  2.12
assign ( resid   96 and name HN   )   ( resid   96 and name HB*  )   2.67  0.87  0.87
assign ( resid   96 and name HB*  )   ( resid   97 and name HG1* )   4.54  2.75  2.75
assign ( resid   98 and name HN   )   ( resid   98 and name HB*  )   2.66  0.86  0.86
assign ( resid   98 and name HB*  )   ( resid   99 and name HN   )   2.79  1.00  1.00
assign ( resid  101 and name HA   )   ( resid  104 and name HG*  )   2.93  1.14  1.14
assign ( resid  104 and name HN   )   ( resid  104 and name HG*  )   2.51  0.72  0.72
assign ( resid  104 and name HD*  )   ( resid  108 and name HD*  )   5.50  3.70  3.70
assign ( resid  105 and name HN   )   ( resid  105 and name HG*  )   2.55  0.76  0.76
assign ( resid  105 and name HA   )   ( resid  105 and name HG*  )   2.64  0.84  0.84
assign ( resid  105 and name HG*  )   ( resid  106 and name HN   )   3.51  1.72  1.72
assign ( resid  106 and name HB*  )   ( resid  107 and name HN   )   2.59  0.80  0.80
assign ( resid  106 and name HB*  )   ( resid  107 and name HB*  )   4.33  2.54  2.54
assign ( resid  107 and name HB*  )   ( resid  108 and name HD*  )   5.37  3.57  3.57
assign ( resid  108 and name HN   )   ( resid  108 and name HB*  )   2.45  0.65  0.65
assign ( resid  108 and name HN   )   ( resid  108 and name HD*  )   3.36  1.57  1.57
assign ( resid  108 and name HA   )   ( resid  108 and name HD*  )   3.02  1.23  1.23
assign ( resid  108 and name HB*  )   ( resid  108 and name HG   )   2.23  0.44  0.44
assign ( resid  109 and name HN   )   ( resid  109 and name HG*  )   2.61  0.81  0.81
assign ( resid  109 and name HA   )   ( resid  109 and name HG*  )   2.53  0.73  0.73
assign ( resid  110 and name HN   )   ( resid  110 and name HB*  )   2.51  0.71  0.71
assign ( resid  111 and name HN   )   ( resid  111 and name HB*  )   2.56  0.76  0.76
assign ( resid  112 and name HN   )   ( resid  112 and name HB*  )   2.81  1.02  1.02
assign ( resid  114 and name HN   )   ( resid  114 and name HB*  )   2.85  1.06  1.06

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           H1       MET   1 -15.045 -11.798  20.419
    2    H2   MET   1           H2       MET   1 -14.002 -11.435  19.133
    3    H3   MET   1           H3       MET   1 -15.590 -10.838  19.134
    4    HA   MET   1           HA       MET   1 -15.147  -9.461  21.015
    5    HB2  MET   1           2HB      MET   1 -12.384 -10.678  20.835
    6    HB3  MET   1           1HB      MET   1 -12.759  -9.246  21.778
    7    HG2  MET   1           2HG      MET   1 -12.684 -11.143  23.228
    8    HG3  MET   1           1HG      MET   1 -14.348 -10.576  23.114
    9    HE1  MET   1           2HE      MET   1 -14.655 -14.482  23.569
   10    HE2  MET   1           3HE      MET   1 -15.090 -12.906  24.231
   11    HE3  MET   1           1HE      MET   1 -13.411 -13.439  24.258
   12    H    GLN   2           HN       GLN   2 -13.413  -7.523  20.897
   13    HA   GLN   2           HA       GLN   2 -13.770  -6.421  18.312
   14    HB2  GLN   2           2HB      GLN   2 -12.202  -5.455  20.706
   15    HB3  GLN   2           1HB      GLN   2 -12.523  -4.505  19.271
   16    HG2  GLN   2           2HG      GLN   2 -14.925  -4.667  19.690
   17    HG3  GLN   2           1HG      GLN   2 -14.596  -5.606  21.145
   18   HE21  GLN   2          1HE2      GLN   2 -14.476  -2.483  19.653
   19   HE22  GLN   2          2HE2      GLN   2 -14.198  -1.573  21.104
   20    H    ALA   3           HN       ALA   3 -11.865  -5.244  17.269
   21    HA   ALA   3           HA       ALA   3  -9.918  -5.278  16.114
   22    HB1  ALA   3           1HB      ALA   3  -8.757  -5.652  18.245
   23    HB2  ALA   3           2HB      ALA   3  -7.972  -6.492  16.908
   24    HB3  ALA   3           3HB      ALA   3  -8.972  -7.393  18.051
   25    H    ILE   4           HN       ILE   4 -10.068  -5.982  14.154
   26    HA   ILE   4           HA       ILE   4 -11.397  -8.347  13.418
   27    HB   ILE   4           HB       ILE   4  -9.583  -6.604  11.747
   28   HG12  ILE   4          2HG1      ILE   4 -11.442  -5.348  12.716
   29   HG13  ILE   4          1HG1      ILE   4 -11.683  -5.554  10.987
   30   HG21  ILE   4          1HG2      ILE   4 -11.641  -8.644  10.916
   31   HG22  ILE   4          2HG2      ILE   4  -9.896  -8.757  10.693
   32   HG23  ILE   4          3HG2      ILE   4 -10.818  -7.531   9.823
   33   HD11  ILE   4          3HD1      ILE   4 -13.259  -7.368  11.433
   34   HD12  ILE   4          1HD1      ILE   4 -13.759  -5.857  12.190
   35   HD13  ILE   4          2HD1      ILE   4 -13.028  -7.133  13.164
   36    H    THR   5           HN       THR   5  -7.980  -7.552  13.725
   37    HA   THR   5           HA       THR   5  -6.881  -9.794  12.479
   38    HB   THR   5           HB       THR   5  -4.920  -9.340  14.077
   39    HG1  THR   5           1HG      THR   5  -5.167  -7.816  15.548
   40   HG21  THR   5          3HG2      THR   5  -4.314  -7.265  12.908
   41   HG22  THR   5          1HG2      THR   5  -5.978  -7.095  12.356
   42   HG23  THR   5          2HG2      THR   5  -5.000  -8.452  11.802
   43    H    GLU   6           HN       GLU   6  -7.824  -9.277  15.853
   44    HA   GLU   6           HA       GLU   6  -6.780 -11.650  16.898
   45    HB2  GLU   6           2HB      GLU   6  -9.102  -9.966  17.834
   46    HB3  GLU   6           1HB      GLU   6  -8.357 -11.248  18.780
   47    HG2  GLU   6           2HG      GLU   6  -6.969  -8.770  17.787
   48    HG3  GLU   6           1HG      GLU   6  -7.552  -9.036  19.429
   49    H    ARG   7           HN       ARG   7 -10.024 -10.948  15.625
   50    HA   ARG   7           HA       ARG   7 -11.032 -13.535  16.300
   51    HB2  ARG   7           2HB      ARG   7 -13.017 -12.909  14.994
   52    HB3  ARG   7           1HB      ARG   7 -12.562 -11.659  16.140
   53    HG2  ARG   7           2HG      ARG   7 -11.591 -10.337  14.360
   54    HG3  ARG   7           1HG      ARG   7 -11.937 -11.619  13.196
   55    HD2  ARG   7           2HD      ARG   7 -13.610  -9.865  13.050
   56    HD3  ARG   7           1HD      ARG   7 -14.333 -11.360  13.638
   57    HE   ARG   7           HE       ARG   7 -13.602  -9.854  15.866
   58   HH11  ARG   7          1HH1      ARG   7 -15.830  -9.673  13.175
   59   HH12  ARG   7          2HH1      ARG   7 -16.974  -8.668  14.019
   60   HH21  ARG   7          1HH2      ARG   7 -15.120  -8.577  17.008
   61   HH22  ARG   7          2HH2      ARG   7 -16.589  -8.075  16.218
   62    H    LEU   8           HN       LEU   8  -9.531 -12.145  13.457
   63    HA   LEU   8           HA       LEU   8 -10.164 -14.253  11.677
   64    HB2  LEU   8           2HB      LEU   8  -7.922 -12.246  11.644
   65    HB3  LEU   8           1HB      LEU   8  -8.193 -13.406  10.359
   66    HG   LEU   8           HG       LEU   8 -10.055 -11.187  11.209
   67   HD11  LEU   8          1HD1      LEU   8  -8.555 -11.674   8.642
   68   HD12  LEU   8          2HD1      LEU   8  -8.134 -10.481   9.872
   69   HD13  LEU   8          3HD1      LEU   8  -9.644 -10.327   8.973
   70   HD21  LEU   8          3HD2      LEU   8 -10.443 -13.320   9.110
   71   HD22  LEU   8          1HD2      LEU   8 -11.489 -11.920   9.357
   72   HD23  LEU   8          2HD2      LEU   8 -11.355 -13.154  10.612
   73    H    GLU   9           HN       GLU   9  -7.595 -13.786  14.010
   74    HA   GLU   9           HA       GLU   9  -5.783 -15.737  13.294
   75    HB2  GLU   9           2HB      GLU   9  -6.710 -14.860  16.029
   76    HB3  GLU   9           1HB      GLU   9  -5.360 -15.958  15.785
   77    HG2  GLU   9           2HG      GLU   9  -5.508 -13.182  14.642
   78    HG3  GLU   9           1HG      GLU   9  -4.710 -13.595  16.159
   79    H    ALA  10           HN       ALA  10  -8.922 -16.120  14.811
   80    HA   ALA  10           HA       ALA  10  -8.665 -18.779  15.671
   81    HB1  ALA  10           1HB      ALA  10 -11.160 -17.351  14.758
   82    HB2  ALA  10           2HB      ALA  10 -10.482 -17.309  16.387
   83    HB3  ALA  10           3HB      ALA  10 -11.098 -18.825  15.727
   84    H    MET  11           HN       MET  11  -9.932 -17.485  12.585
   85    HA   MET  11           HA       MET  11 -10.438 -20.111  11.578
   86    HB2  MET  11           2HB      MET  11 -11.131 -19.025   9.552
   87    HB3  MET  11           1HB      MET  11 -11.788 -18.152  10.920
   88    HG2  MET  11           2HG      MET  11  -9.982 -16.485  10.669
   89    HG3  MET  11           1HG      MET  11  -9.431 -17.343   9.232
   90    HE1  MET  11           3HE      MET  11 -12.604 -16.957   6.902
   91    HE2  MET  11           1HE      MET  11 -12.307 -18.253   8.057
   92    HE3  MET  11           2HE      MET  11 -10.993 -17.660   7.043
   93    H    LEU  12           HN       LEU  12  -7.784 -17.860  11.427
   94    HA   LEU  12           HA       LEU  12  -6.359 -19.130   9.331
   95    HB2  LEU  12           2HB      LEU  12  -5.693 -17.198  11.480
   96    HB3  LEU  12           1HB      LEU  12  -4.356 -18.100  10.793
   97    HG   LEU  12           HG       LEU  12  -4.562 -15.965   9.674
   98   HD11  LEU  12          1HD1      LEU  12  -5.471 -18.249   7.933
   99   HD12  LEU  12          2HD1      LEU  12  -3.806 -17.821   8.327
  100   HD13  LEU  12          3HD1      LEU  12  -4.788 -16.728   7.351
  101   HD21  LEU  12          3HD2      LEU  12  -7.356 -16.815   8.929
  102   HD22  LEU  12          1HD2      LEU  12  -6.533 -15.350   8.397
  103   HD23  LEU  12          2HD2      LEU  12  -6.940 -15.565  10.100
  104    H    ALA  13           HN       ALA  13  -6.651 -19.728  12.762
  105    HA   ALA  13           HA       ALA  13  -4.546 -21.678  12.863
  106    HB1  ALA  13           1HB      ALA  13  -5.351 -22.135  15.116
  107    HB2  ALA  13           2HB      ALA  13  -6.787 -21.158  14.815
  108    HB3  ALA  13           3HB      ALA  13  -5.195 -20.399  14.849
  109    H    GLN  14           HN       GLN  14  -7.619 -21.723  11.549
  110    HA   GLN  14           HA       GLN  14  -8.081 -24.550  12.080
  111    HB2  GLN  14           2HB      GLN  14  -9.680 -22.535  10.496
  112    HB3  GLN  14           1HB      GLN  14 -10.151 -24.212  10.739
  113    HG2  GLN  14           2HG      GLN  14  -9.841 -22.103  12.861
  114    HG3  GLN  14           1HG      GLN  14 -11.347 -22.794  12.266
  115   HE21  GLN  14          1HE2      GLN  14  -8.591 -23.246  14.296
  116   HE22  GLN  14          2HE2      GLN  14  -9.135 -24.691  15.074
  117    H    GLY  15           HN       GLY  15  -6.162 -22.876  10.048
  118    HA2  GLY  15           2HA      GLY  15  -4.851 -23.750   8.340
  119    HA3  GLY  15           1HA      GLY  15  -5.894 -25.164   8.303
  120    H    THR  16           HN       THR  16  -7.384 -22.059   8.121
  121    HA   THR  16           HA       THR  16  -8.079 -22.570   5.340
  122    HB   THR  16           HB       THR  16  -9.145 -20.419   7.186
  123    HG1  THR  16           1HG      THR  16 -10.066 -23.053   6.580
  124   HG21  THR  16          3HG2      THR  16  -9.454 -19.904   4.814
  125   HG22  THR  16          1HG2      THR  16 -10.996 -20.297   5.575
  126   HG23  THR  16          2HG2      THR  16 -10.186 -21.488   4.557
  127    H    ASP  17           HN       ASP  17  -5.846 -22.124   4.728
  128    HA   ASP  17           HA       ASP  17  -4.899 -19.409   4.898
  129    HB2  ASP  17           2HB      ASP  17  -3.008 -20.260   3.493
  130    HB3  ASP  17           1HB      ASP  17  -3.238 -21.147   4.993
  131    H    ASN  18           HN       ASN  18  -6.307 -18.098   3.821
  132    HA   ASN  18           HA       ASN  18  -6.729 -18.676   0.962
  133    HB2  ASN  18           2HB      ASN  18  -8.442 -17.269   2.986
  134    HB3  ASN  18           1HB      ASN  18  -8.640 -16.944   1.269
  135   HD21  ASN  18          1HD2      ASN  18  -7.703 -20.097   2.423
  136   HD22  ASN  18          2HD2      ASN  18  -9.204 -20.886   2.070
  137    H    MET  19           HN       MET  19  -7.114 -16.645  -0.353
  138    HA   MET  19           HA       MET  19  -4.685 -15.177  -0.315
  139    HB2  MET  19           2HB      MET  19  -5.787 -15.768  -2.392
  140    HB3  MET  19           1HB      MET  19  -7.204 -14.831  -1.946
  141    HG2  MET  19           2HG      MET  19  -5.810 -12.787  -1.991
  142    HG3  MET  19           1HG      MET  19  -4.459 -13.764  -2.563
  143    HE1  MET  19           3HE      MET  19  -5.513 -11.743  -5.757
  144    HE2  MET  19           1HE      MET  19  -4.202 -12.126  -4.643
  145    HE3  MET  19           2HE      MET  19  -5.575 -11.168  -4.089
  146    H    LEU  20           HN       LEU  20  -8.077 -14.100   0.058
  147    HA   LEU  20           HA       LEU  20  -7.365 -11.400   0.479
  148    HB2  LEU  20           2HB      LEU  20  -9.896 -12.947   0.928
  149    HB3  LEU  20           1HB      LEU  20  -9.768 -11.271   1.425
  150    HG   LEU  20           HG       LEU  20 -10.836 -11.307  -0.700
  151   HD11  LEU  20          1HD1      LEU  20  -9.314  -9.990  -2.064
  152   HD12  LEU  20          2HD1      LEU  20  -7.954 -10.523  -1.075
  153   HD13  LEU  20          3HD1      LEU  20  -9.223  -9.522  -0.366
  154   HD21  LEU  20          3HD2      LEU  20 -10.204 -13.498  -1.485
  155   HD22  LEU  20          1HD2      LEU  20  -8.527 -12.986  -1.669
  156   HD23  LEU  20          2HD2      LEU  20  -9.779 -12.292  -2.700
  157    H    LEU  21           HN       LEU  21  -7.668 -14.099   2.641
  158    HA   LEU  21           HA       LEU  21  -7.935 -12.709   5.066
  159    HB2  LEU  21           2HB      LEU  21  -6.873 -15.407   4.324
  160    HB3  LEU  21           1HB      LEU  21  -6.673 -14.820   5.963
  161    HG   LEU  21           HG       LEU  21  -9.125 -14.592   6.168
  162   HD11  LEU  21          1HD1      LEU  21  -9.211 -15.913   3.460
  163   HD12  LEU  21          2HD1      LEU  21  -9.667 -14.245   3.811
  164   HD13  LEU  21          3HD1      LEU  21 -10.593 -15.577   4.503
  165   HD21  LEU  21          3HD2      LEU  21  -9.613 -16.969   6.304
  166   HD22  LEU  21          1HD2      LEU  21  -7.991 -16.622   6.906
  167   HD23  LEU  21          2HD2      LEU  21  -8.205 -17.327   5.303
  168    H    ARG  22           HN       ARG  22  -5.181 -13.335   3.019
  169    HA   ARG  22           HA       ARG  22  -3.183 -12.595   4.912
  170    HB2  ARG  22           2HB      ARG  22  -2.995 -12.386   1.899
  171    HB3  ARG  22           1HB      ARG  22  -1.665 -12.516   3.040
  172    HG2  ARG  22           2HG      ARG  22  -2.383 -14.786   3.612
  173    HG3  ARG  22           1HG      ARG  22  -3.700 -14.652   2.446
  174    HD2  ARG  22           2HD      ARG  22  -2.008 -14.265   0.666
  175    HD3  ARG  22           1HD      ARG  22  -0.744 -14.565   1.859
  176    HE   ARG  22           HE       ARG  22  -2.524 -16.523   0.646
  177   HH11  ARG  22          1HH1      ARG  22  -0.073 -15.817   3.031
  178   HH12  ARG  22          2HH1      ARG  22   0.325 -17.479   3.331
  179   HH21  ARG  22          1HH2      ARG  22  -2.011 -18.737   1.019
  180   HH22  ARG  22          2HH2      ARG  22  -0.783 -19.143   2.189
  181    H    PHE  23           HN       PHE  23  -5.019 -10.914   2.439
  182    HA   PHE  23           HA       PHE  23  -3.597  -8.466   2.582
  183    HB2  PHE  23           2HB      PHE  23  -4.796  -9.076   0.575
  184    HB3  PHE  23           1HB      PHE  23  -6.321  -9.124   1.453
  185    HD1  PHE  23           2HD      PHE  23  -3.554  -6.827   0.517
  186    HD2  PHE  23           1HD      PHE  23  -7.666  -7.243   1.541
  187    HE1  PHE  23           2HE      PHE  23  -3.924  -4.453  -0.010
  188    HE2  PHE  23           1HE      PHE  23  -8.040  -4.869   1.020
  189    HZ   PHE  23           HZ       PHE  23  -6.170  -3.473   0.246
  190    H    THR  24           HN       THR  24  -6.757  -9.471   3.907
  191    HA   THR  24           HA       THR  24  -7.539  -7.010   4.926
  192    HB   THR  24           HB       THR  24  -8.152  -9.717   6.133
  193    HG1  THR  24           1HG      THR  24 -10.148  -8.994   4.655
  194   HG21  THR  24          3HG2      THR  24  -8.836  -7.896   7.581
  195   HG22  THR  24          1HG2      THR  24 -10.257  -8.623   6.833
  196   HG23  THR  24          2HG2      THR  24  -9.634  -7.086   6.232
  197    H    LEU  25           HN       LEU  25  -5.623  -9.554   6.494
  198    HA   LEU  25           HA       LEU  25  -5.369  -8.304   8.999
  199    HB2  LEU  25           2HB      LEU  25  -3.583 -10.273   7.576
  200    HB3  LEU  25           1HB      LEU  25  -3.335  -9.767   9.235
  201    HG   LEU  25           HG       LEU  25  -5.856 -11.116   8.270
  202   HD11  LEU  25          1HD1      LEU  25  -4.969 -13.133   9.355
  203   HD12  LEU  25          2HD1      LEU  25  -3.439 -12.299   9.631
  204   HD13  LEU  25          3HD1      LEU  25  -3.980 -12.631   7.985
  205   HD21  LEU  25          3HD2      LEU  25  -4.746 -10.631  11.033
  206   HD22  LEU  25          1HD2      LEU  25  -6.246 -11.475  10.650
  207   HD23  LEU  25          2HD2      LEU  25  -6.087  -9.755  10.296
  208    H    GLY  26           HN       GLY  26  -3.546  -7.990   6.017
  209    HA2  GLY  26           2HA      GLY  26  -1.399  -6.482   7.144
  210    HA3  GLY  26           1HA      GLY  26  -1.777  -6.634   5.434
  211    H    LYS  27           HN       LYS  27  -4.433  -5.651   5.571
  212    HA   LYS  27           HA       LYS  27  -4.023  -2.913   5.239
  213    HB2  LYS  27           2HB      LYS  27  -5.908  -4.044   4.219
  214    HB3  LYS  27           1HB      LYS  27  -6.585  -4.424   5.796
  215    HG2  LYS  27           2HG      LYS  27  -6.808  -1.969   6.204
  216    HG3  LYS  27           1HG      LYS  27  -6.314  -1.707   4.532
  217    HD2  LYS  27           2HD      LYS  27  -8.653  -3.440   5.286
  218    HD3  LYS  27           1HD      LYS  27  -8.809  -1.707   4.996
  219    HE2  LYS  27           2HE      LYS  27  -7.946  -2.005   2.734
  220    HE3  LYS  27           1HE      LYS  27  -7.753  -3.732   3.026
  221    HZ1  LYS  27           3HZ      LYS  27  -9.793  -3.285   1.820
  222    HZ2  LYS  27           1HZ      LYS  27 -10.325  -2.238   3.047
  223    HZ3  LYS  27           2HZ      LYS  27 -10.155  -3.895   3.361
  224    H    THR  28           HN       THR  28  -5.198  -4.722   8.030
  225    HA   THR  28           HA       THR  28  -6.038  -2.564   9.585
  226    HB   THR  28           HB       THR  28  -4.856  -5.155  10.600
  227    HG1  THR  28           1HG      THR  28  -7.201  -4.569   9.256
  228   HG21  THR  28          3HG2      THR  28  -6.839  -3.234  11.838
  229   HG22  THR  28          1HG2      THR  28  -5.170  -3.477  12.352
  230   HG23  THR  28          2HG2      THR  28  -6.345  -4.781  12.527
  231    H    TYR  29           HN       TYR  29  -2.828  -4.050   9.278
  232    HA   TYR  29           HA       TYR  29  -1.584  -2.521  11.305
  233    HB2  TYR  29           2HB      TYR  29  -0.449  -3.843   8.835
  234    HB3  TYR  29           1HB      TYR  29   0.546  -3.063  10.058
  235    HD1  TYR  29           2HD      TYR  29  -0.218  -3.911  12.571
  236    HD2  TYR  29           1HD      TYR  29  -0.485  -6.130   8.950
  237    HE1  TYR  29           2HE      TYR  29  -0.151  -6.005  13.855
  238    HE2  TYR  29           1HE      TYR  29  -0.418  -8.232  10.225
  239    HH   TYR  29           HH       TYR  29  -0.918  -8.403  13.519
  240    H    ALA  30           HN       ALA  30  -2.077  -1.992   7.858
  241    HA   ALA  30           HA       ALA  30  -0.428   0.325   7.704
  242    HB1  ALA  30           1HB      ALA  30  -2.620  -0.581   5.841
  243    HB2  ALA  30           2HB      ALA  30  -0.926  -1.059   5.748
  244    HB3  ALA  30           3HB      ALA  30  -1.382   0.623   5.486
  245    H    GLU  31           HN       GLU  31  -3.875  -0.194   8.263
  246    HA   GLU  31           HA       GLU  31  -4.612   2.541   8.094
  247    HB2  GLU  31           2HB      GLU  31  -5.922   0.210   9.488
  248    HB3  GLU  31           1HB      GLU  31  -6.633   1.816   9.411
  249    HG2  GLU  31           2HG      GLU  31  -6.439   1.609   6.887
  250    HG3  GLU  31           1HG      GLU  31  -6.113  -0.102   7.170
  251    H    HIS  32           HN       HIS  32  -3.305   0.555  10.646
  252    HA   HIS  32           HA       HIS  32  -3.769   2.554  12.691
  253    HB2  HIS  32           2HB      HIS  32  -2.315  -0.097  12.695
  254    HB3  HIS  32           1HB      HIS  32  -2.371   0.964  14.092
  255    HD1  HIS  32           1HD      HIS  32  -3.513  -1.372  15.030
  256    HD2  HIS  32           2HD      HIS  32  -5.782   1.028  12.501
  257    HE1  HIS  32           1HE      HIS  32  -5.899  -2.092  15.370
  258    HE2  HIS  32           2HE      HIS  32  -7.266  -0.474  13.996
  259    H    GLU  33           HN       GLU  33  -1.856   2.596  10.178
  260    HA   GLU  33           HA       GLU  33   0.075   3.557   9.550
  261    HB2  GLU  33           2HB      GLU  33  -0.104   4.877  12.259
  262    HB3  GLU  33           1HB      GLU  33   0.997   5.353  10.975
  263    HG2  GLU  33           2HG      GLU  33  -1.145   5.609   9.552
  264    HG3  GLU  33           1HG      GLU  33  -1.975   5.627  11.106
  265    H    GLN  34           HN       GLN  34   0.056   1.025  11.043
  266    HA   GLN  34           HA       GLN  34   2.736   1.014  12.217
  267    HB2  GLN  34           2HB      GLN  34   0.834  -0.112  13.408
  268    HB3  GLN  34           1HB      GLN  34   0.722  -1.239  12.066
  269    HG2  GLN  34           2HG      GLN  34   1.926  -2.200  13.948
  270    HG3  GLN  34           1HG      GLN  34   2.951  -2.060  12.525
  271   HE21  GLN  34          1HE2      GLN  34   3.635  -2.291  15.366
  272   HE22  GLN  34          2HE2      GLN  34   4.622  -0.910  15.724
  273    H    PHE  35           HN       PHE  35   2.825   1.640   9.687
  274    HA   PHE  35           HA       PHE  35   2.731  -0.287   7.695
  275    HB2  PHE  35           2HB      PHE  35   4.544   2.124   7.888
  276    HB3  PHE  35           1HB      PHE  35   4.190   1.230   6.414
  277    HD1  PHE  35           2HD      PHE  35   1.728   1.115   5.687
  278    HD2  PHE  35           1HD      PHE  35   3.223   3.919   8.516
  279    HE1  PHE  35           2HE      PHE  35  -0.223   2.559   5.280
  280    HE2  PHE  35           1HE      PHE  35   1.272   5.363   8.121
  281    HZ   PHE  35           HZ       PHE  35  -0.452   4.688   6.501
  282    H    ASP  36           HN       ASP  36   5.202   0.365  10.066
  283    HA   ASP  36           HA       ASP  36   7.373  -0.987   8.930
  284    HB2  ASP  36           2HB      ASP  36   7.535   0.386  10.966
  285    HB3  ASP  36           1HB      ASP  36   6.596  -0.807  11.847
  286    H    ALA  37           HN       ALA  37   4.824  -2.161  11.066
  287    HA   ALA  37           HA       ALA  37   5.698  -4.892  10.969
  288    HB1  ALA  37           1HB      ALA  37   3.687  -5.408  12.211
  289    HB2  ALA  37           2HB      ALA  37   3.037  -3.803  11.877
  290    HB3  ALA  37           3HB      ALA  37   4.465  -3.982  12.898
  291    H    ALA  38           HN       ALA  38   3.566  -2.893   9.130
  292    HA   ALA  38           HA       ALA  38   2.037  -4.905   7.869
  293    HB1  ALA  38           1HB      ALA  38   1.367  -2.551   7.891
  294    HB2  ALA  38           2HB      ALA  38   1.444  -3.187   6.248
  295    HB3  ALA  38           3HB      ALA  38   2.735  -2.151   6.855
  296    H    LEU  39           HN       LEU  39   5.173  -3.467   7.139
  297    HA   LEU  39           HA       LEU  39   5.439  -4.096   4.470
  298    HB2  LEU  39           2HB      LEU  39   7.410  -3.777   6.685
  299    HB3  LEU  39           1HB      LEU  39   7.969  -4.325   5.118
  300    HG   LEU  39           HG       LEU  39   6.435  -1.762   5.549
  301   HD11  LEU  39          1HD1      LEU  39   9.402  -2.194   5.221
  302   HD12  LEU  39          2HD1      LEU  39   8.588  -1.681   6.700
  303   HD13  LEU  39          3HD1      LEU  39   8.585  -0.634   5.280
  304   HD21  LEU  39          3HD2      LEU  39   7.223  -1.232   3.298
  305   HD22  LEU  39          1HD2      LEU  39   6.253  -2.706   3.300
  306   HD23  LEU  39          2HD2      LEU  39   8.010  -2.807   3.194
  307    HA   PRO  40           HA       PRO  40   7.453  -8.393   5.484
  308    HB2  PRO  40           2HB      PRO  40   6.724  -9.497   7.896
  309    HB3  PRO  40           1HB      PRO  40   8.249  -8.658   7.603
  310    HG2  PRO  40           2HG      PRO  40   5.740  -7.648   8.876
  311    HG3  PRO  40           1HG      PRO  40   7.429  -7.351   9.330
  312    HD2  PRO  40           2HD      PRO  40   5.963  -5.532   7.992
  313    HD3  PRO  40           1HD      PRO  40   7.706  -5.730   7.710
  314    H    HIS  41           HN       HIS  41   4.323  -7.659   6.944
  315    HA   HIS  41           HA       HIS  41   3.168 -10.201   6.365
  316    HB2  HIS  41           2HB      HIS  41   2.398  -8.626   8.172
  317    HB3  HIS  41           1HB      HIS  41   1.710  -7.609   6.912
  318    HD1  HIS  41           1HD      HIS  41   0.911 -10.396   9.091
  319    HD2  HIS  41           2HD      HIS  41  -0.371  -9.028   5.374
  320    HE1  HIS  41           1HE      HIS  41  -1.282 -11.548   8.658
  321    HE2  HIS  41           2HE      HIS  41  -2.081 -10.636   6.447
  322    H    LEU  42           HN       LEU  42   3.014  -7.014   4.809
  323    HA   LEU  42           HA       LEU  42   1.218  -7.839   2.755
  324    HB2  LEU  42           2HB      LEU  42   3.137  -5.510   2.876
  325    HB3  LEU  42           1HB      LEU  42   1.932  -5.734   1.625
  326    HG   LEU  42           HG       LEU  42   1.324  -5.354   4.560
  327   HD11  LEU  42          1HD1      LEU  42   1.051  -3.453   2.238
  328   HD12  LEU  42          2HD1      LEU  42   2.226  -3.331   3.547
  329   HD13  LEU  42          3HD1      LEU  42   0.504  -3.155   3.888
  330   HD21  LEU  42          3HD2      LEU  42  -0.988  -5.121   3.823
  331   HD22  LEU  42          1HD2      LEU  42  -0.348  -6.709   3.400
  332   HD23  LEU  42          2HD2      LEU  42  -0.503  -5.462   2.162
  333    H    ARG  43           HN       ARG  43   4.711  -7.718   3.058
  334    HA   ARG  43           HA       ARG  43   5.351  -8.270   0.375
  335    HB2  ARG  43           2HB      ARG  43   6.938  -7.465   2.147
  336    HB3  ARG  43           1HB      ARG  43   6.925  -9.088   2.826
  337    HG2  ARG  43           2HG      ARG  43   7.851  -9.975   0.760
  338    HG3  ARG  43           1HG      ARG  43   7.835  -8.357   0.049
  339    HD2  ARG  43           2HD      ARG  43   9.294  -7.639   1.974
  340    HD3  ARG  43           1HD      ARG  43   9.463  -9.348   2.375
  341    HE   ARG  43           HE       ARG  43  10.291  -9.485  -0.082
  342   HH11  ARG  43          1HH1      ARG  43  10.856  -6.839   2.147
  343   HH12  ARG  43          2HH1      ARG  43  12.373  -6.382   1.420
  344   HH21  ARG  43          1HH2      ARG  43  12.266  -8.886  -1.043
  345   HH22  ARG  43          2HH2      ARG  43  13.169  -7.535  -0.415
  346    H    ALA  44           HN       ALA  44   4.696 -10.375   3.137
  347    HA   ALA  44           HA       ALA  44   5.285 -12.835   1.931
  348    HB1  ALA  44           1HB      ALA  44   4.940 -12.568   4.337
  349    HB2  ALA  44           2HB      ALA  44   3.884 -13.818   3.680
  350    HB3  ALA  44           3HB      ALA  44   3.234 -12.222   4.063
  351    H    ALA  45           HN       ALA  45   2.342 -10.888   1.977
  352    HA   ALA  45           HA       ALA  45   0.689 -12.771   0.658
  353    HB1  ALA  45           1HB      ALA  45   0.403  -9.770   0.733
  354    HB2  ALA  45           2HB      ALA  45  -0.212 -10.889   1.950
  355    HB3  ALA  45           3HB      ALA  45  -0.851 -10.934   0.306
  356    H    LEU  46           HN       LEU  46   2.602 -10.026  -0.514
  357    HA   LEU  46           HA       LEU  46   1.817 -10.154  -3.201
  358    HB2  LEU  46           2HB      LEU  46   4.389  -9.161  -1.984
  359    HB3  LEU  46           1HB      LEU  46   3.929  -8.911  -3.656
  360    HG   LEU  46           HG       LEU  46   2.438  -7.848  -1.254
  361   HD11  LEU  46          1HD1      LEU  46   4.163  -6.443  -3.289
  362   HD12  LEU  46          2HD1      LEU  46   4.583  -6.736  -1.600
  363   HD13  LEU  46          3HD1      LEU  46   3.238  -5.668  -2.003
  364   HD21  LEU  46          3HD2      LEU  46   1.131  -6.590  -2.882
  365   HD22  LEU  46          1HD2      LEU  46   0.955  -8.325  -3.138
  366   HD23  LEU  46          2HD2      LEU  46   1.997  -7.379  -4.199
  367    H    ASP  47           HN       ASP  47   4.113 -12.055  -1.418
  368    HA   ASP  47           HA       ASP  47   5.570 -13.069  -3.624
  369    HB2  ASP  47           2HB      ASP  47   6.282 -13.252  -1.228
  370    HB3  ASP  47           1HB      ASP  47   5.023 -14.455  -0.992
  371    H    PHE  48           HN       PHE  48   2.647 -14.079  -1.963
  372    HA   PHE  48           HA       PHE  48   2.370 -16.470  -3.566
  373    HB2  PHE  48           2HB      PHE  48   0.628 -15.194  -1.459
  374    HB3  PHE  48           1HB      PHE  48   0.120 -16.611  -2.370
  375    HD1  PHE  48           2HD      PHE  48   2.533 -15.335   0.094
  376    HD2  PHE  48           1HD      PHE  48   1.014 -18.763  -1.914
  377    HE1  PHE  48           2HE      PHE  48   3.709 -16.789   1.691
  378    HE2  PHE  48           1HE      PHE  48   2.180 -20.224  -0.315
  379    HZ   PHE  48           HZ       PHE  48   3.532 -19.239   1.489
  380    H    ASP  49           HN       ASP  49   0.730 -13.329  -3.307
  381    HA   ASP  49           HA       ASP  49  -0.277 -13.723  -6.016
  382    HB2  ASP  49           2HB      ASP  49  -2.476 -12.648  -5.161
  383    HB3  ASP  49           1HB      ASP  49  -2.215 -14.367  -4.919
  384    HA   PRO  50           HA       PRO  50   1.533  -9.564  -5.579
  385    HB2  PRO  50           2HB      PRO  50   2.880  -9.561  -7.894
  386    HB3  PRO  50           1HB      PRO  50   3.475 -10.435  -6.478
  387    HG2  PRO  50           2HG      PRO  50   2.039 -11.481  -8.887
  388    HG3  PRO  50           1HG      PRO  50   3.427 -12.169  -8.023
  389    HD2  PRO  50           2HD      PRO  50   0.829 -12.997  -7.680
  390    HD3  PRO  50           1HD      PRO  50   2.102 -13.174  -6.458
  391    H    THR  51           HN       THR  51  -0.826 -10.874  -7.544
  392    HA   THR  51           HA       THR  51  -0.987  -8.649  -9.408
  393    HB   THR  51           HB       THR  51  -2.998 -10.043 -10.250
  394    HG1  THR  51           1HG      THR  51  -3.400 -11.748  -9.074
  395   HG21  THR  51          3HG2      THR  51  -0.182 -11.132 -10.392
  396   HG22  THR  51          1HG2      THR  51  -0.876  -9.898 -11.444
  397   HG23  THR  51          2HG2      THR  51  -1.495 -11.548 -11.494
  398    H    TYR  52           HN       TYR  52  -1.801  -8.652  -6.375
  399    HA   TYR  52           HA       TYR  52  -4.581  -7.845  -6.670
  400    HB2  TYR  52           2HB      TYR  52  -3.664  -9.221  -4.699
  401    HB3  TYR  52           1HB      TYR  52  -3.003  -7.697  -4.114
  402    HD1  TYR  52           1HD      TYR  52  -6.213  -9.193  -5.277
  403    HD2  TYR  52           2HD      TYR  52  -4.322  -6.346  -2.749
  404    HE1  TYR  52           1HE      TYR  52  -8.391  -8.650  -4.273
  405    HE2  TYR  52           2HE      TYR  52  -6.494  -5.796  -1.738
  406    HH   TYR  52           HH       TYR  52  -8.854  -5.929  -2.248
  407    H    SER  53           HN       SER  53  -4.714  -5.960  -7.646
  408    HA   SER  53           HA       SER  53  -2.936  -3.891  -7.766
  409    HB2  SER  53           2HB      SER  53  -5.023  -2.512  -8.364
  410    HB3  SER  53           1HB      SER  53  -4.662  -3.929  -9.349
  411    HG   SER  53           HG       SER  53  -6.903  -3.424  -8.114
  412    H    VAL  54           HN       VAL  54  -5.636  -4.216  -5.487
  413    HA   VAL  54           HA       VAL  54  -5.446  -1.688  -4.320
  414    HB   VAL  54           HB       VAL  54  -6.285  -4.200  -2.867
  415   HG11  VAL  54          1HG1      VAL  54  -7.084  -1.312  -2.509
  416   HG12  VAL  54          2HG1      VAL  54  -6.033  -2.241  -1.441
  417   HG13  VAL  54          3HG1      VAL  54  -7.732  -2.679  -1.604
  418   HG21  VAL  54          3HG2      VAL  54  -7.436  -4.084  -5.003
  419   HG22  VAL  54          1HG2      VAL  54  -7.925  -2.423  -4.669
  420   HG23  VAL  54          2HG2      VAL  54  -8.551  -3.743  -3.679
  421    H    ALA  55           HN       ALA  55  -3.650  -4.642  -3.695
  422    HA   ALA  55           HA       ALA  55  -2.444  -3.852  -1.263
  423    HB1  ALA  55           1HB      ALA  55  -0.875  -5.671  -1.646
  424    HB2  ALA  55           2HB      ALA  55  -1.414  -5.804  -3.321
  425    HB3  ALA  55           3HB      ALA  55  -2.523  -6.188  -2.002
  426    H    TRP  56           HN       TRP  56  -1.517  -3.424  -4.650
  427    HA   TRP  56           HA       TRP  56   1.088  -2.435  -4.248
  428    HB2  TRP  56           2HB      TRP  56  -0.763  -1.410  -6.407
  429    HB3  TRP  56           1HB      TRP  56   0.986  -1.561  -6.463
  430    HD1  TRP  56           1HD      TRP  56   0.901  -4.711  -5.418
  431    HE1  TRP  56           1HE      TRP  56   0.293  -6.495  -7.162
  432    HE3  TRP  56           3HE      TRP  56  -1.441  -1.722  -8.818
  433    HZ2  TRP  56           2HZ      TRP  56  -1.022  -6.618  -9.647
  434    HZ3  TRP  56           3HZ      TRP  56  -2.353  -2.752 -10.853
  435    HH2  TRP  56           2HH      TRP  56  -2.149  -5.149 -11.260
  436    H    LYS  57           HN       LYS  57  -2.049  -0.910  -4.297
  437    HA   LYS  57           HA       LYS  57  -1.213   1.767  -4.083
  438    HB2  LYS  57           2HB      LYS  57  -3.404   1.202  -4.899
  439    HB3  LYS  57           1HB      LYS  57  -3.809   0.399  -3.398
  440    HG2  LYS  57           2HG      LYS  57  -3.886   2.476  -2.225
  441    HG3  LYS  57           1HG      LYS  57  -3.257   3.338  -3.633
  442    HD2  LYS  57           2HD      LYS  57  -5.245   2.829  -4.894
  443    HD3  LYS  57           1HD      LYS  57  -5.859   1.811  -3.589
  444    HE2  LYS  57           2HE      LYS  57  -5.321   4.766  -3.341
  445    HE3  LYS  57           1HE      LYS  57  -6.899   4.067  -3.705
  446    HZ1  LYS  57           3HZ      LYS  57  -6.592   4.596  -1.341
  447    HZ2  LYS  57           1HZ      LYS  57  -5.326   3.475  -1.262
  448    HZ3  LYS  57           2HZ      LYS  57  -6.900   2.949  -1.604
  449    H    TRP  58           HN       TRP  58  -1.938  -0.695  -1.646
  450    HA   TRP  58           HA       TRP  58  -1.690   1.095   0.572
  451    HB2  TRP  58           2HB      TRP  58  -1.654  -1.902   0.335
  452    HB3  TRP  58           1HB      TRP  58  -1.338  -1.096   1.867
  453    HD1  TRP  58           1HD      TRP  58  -4.108  -2.344  -0.255
  454    HE1  TRP  58           1HE      TRP  58  -6.376  -1.668   0.748
  455    HE3  TRP  58           3HE      TRP  58  -2.494   1.082   3.186
  456    HZ2  TRP  58           2HZ      TRP  58  -7.358   0.063   2.733
  457    HZ3  TRP  58           3HZ      TRP  58  -4.166   2.201   4.601
  458    HH2  TRP  58           2HH      TRP  58  -6.549   1.707   4.377
  459    H    LEU  59           HN       LEU  59   0.518  -1.044  -1.158
  460    HA   LEU  59           HA       LEU  59   2.723  -0.922   0.540
  461    HB2  LEU  59           2HB      LEU  59   2.248  -1.544  -2.275
  462    HB3  LEU  59           1HB      LEU  59   3.856  -0.921  -1.963
  463    HG   LEU  59           HG       LEU  59   3.813  -3.351  -1.920
  464   HD11  LEU  59          1HD1      LEU  59   5.438  -2.200  -0.528
  465   HD12  LEU  59          2HD1      LEU  59   4.900  -3.686   0.253
  466   HD13  LEU  59          3HD1      LEU  59   4.279  -2.129   0.797
  467   HD21  LEU  59          3HD2      LEU  59   1.514  -3.689  -1.193
  468   HD22  LEU  59          1HD2      LEU  59   1.915  -3.054   0.402
  469   HD23  LEU  59          2HD2      LEU  59   2.640  -4.563  -0.153
  470    H    GLY  60           HN       GLY  60   1.821   1.253  -2.107
  471    HA2  GLY  60           2HA      GLY  60   3.955   3.042  -1.940
  472    HA3  GLY  60           1HA      GLY  60   2.328   3.475  -2.452
  473    H    LYS  61           HN       LYS  61   0.894   3.056  -0.148
  474    HA   LYS  61           HA       LYS  61   1.435   5.368   1.383
  475    HB2  LYS  61           2HB      LYS  61  -0.406   3.023   1.822
  476    HB3  LYS  61           1HB      LYS  61  -0.314   4.371   2.945
  477    HG2  LYS  61           2HG      LYS  61  -0.966   5.899   1.131
  478    HG3  LYS  61           1HG      LYS  61  -1.120   4.513   0.048
  479    HD2  LYS  61           2HD      LYS  61  -3.273   5.328   1.076
  480    HD3  LYS  61           1HD      LYS  61  -2.924   3.614   1.314
  481    HE2  LYS  61           2HE      LYS  61  -2.206   3.998   3.557
  482    HE3  LYS  61           1HE      LYS  61  -2.251   5.741   3.335
  483    HZ1  LYS  61           3HZ      LYS  61  -4.160   4.735   4.584
  484    HZ2  LYS  61           1HZ      LYS  61  -4.668   4.045   3.122
  485    HZ3  LYS  61           2HZ      LYS  61  -4.591   5.730   3.276
  486    H    THR  62           HN       THR  62   2.452   2.072   1.678
  487    HA   THR  62           HA       THR  62   2.994   2.051   4.452
  488    HB   THR  62           HB       THR  62   4.316   0.388   2.298
  489    HG1  THR  62           1HG      THR  62   1.874   0.386   2.541
  490   HG21  THR  62          3HG2      THR  62   3.907  -0.151   5.240
  491   HG22  THR  62          1HG2      THR  62   5.434   0.321   4.493
  492   HG23  THR  62          2HG2      THR  62   4.690  -1.224   4.079
  493    H    LEU  63           HN       LEU  63   5.099   2.604   1.622
  494    HA   LEU  63           HA       LEU  63   7.449   3.030   3.093
  495    HB2  LEU  63           2HB      LEU  63   6.556   3.736   0.322
  496    HB3  LEU  63           1HB      LEU  63   8.104   4.293   0.921
  497    HG   LEU  63           HG       LEU  63   8.282   2.266  -0.439
  498   HD11  LEU  63          1HD1      LEU  63   8.995   1.861   2.455
  499   HD12  LEU  63          2HD1      LEU  63   9.957   2.733   1.262
  500   HD13  LEU  63          3HD1      LEU  63   9.701   0.996   1.090
  501   HD21  LEU  63          3HD2      LEU  63   7.518   0.112   0.417
  502   HD22  LEU  63          1HD2      LEU  63   6.166   1.199   0.091
  503   HD23  LEU  63          2HD2      LEU  63   6.707   0.934   1.749
  504    H    GLN  64           HN       GLN  64   4.975   5.308   1.928
  505    HA   GLN  64           HA       GLN  64   6.438   7.631   2.681
  506    HB2  GLN  64           2HB      GLN  64   4.399   8.872   2.274
  507    HB3  GLN  64           1HB      GLN  64   4.623   7.680   1.006
  508    HG2  GLN  64           2HG      GLN  64   2.953   6.257   1.954
  509    HG3  GLN  64           1HG      GLN  64   2.812   7.294   3.371
  510   HE21  GLN  64          1HE2      GLN  64   2.977   9.740   1.789
  511   HE22  GLN  64          2HE2      GLN  64   1.453   9.900   0.995
  512    H    GLY  65           HN       GLY  65   4.067   5.606   4.290
  513    HA2  GLY  65           2HA      GLY  65   3.760   7.278   6.585
  514    HA3  GLY  65           1HA      GLY  65   3.299   5.585   6.468
  515    H    GLN  66           HN       GLN  66   5.887   4.607   5.756
  516    HA   GLN  66           HA       GLN  66   7.094   4.250   8.272
  517    HB2  GLN  66           2HB      GLN  66   7.324   2.689   6.353
  518    HB3  GLN  66           1HB      GLN  66   8.310   3.883   5.524
  519    HG2  GLN  66           2HG      GLN  66   9.949   3.732   7.389
  520    HG3  GLN  66           1HG      GLN  66   8.987   2.415   8.062
  521   HE21  GLN  66          1HE2      GLN  66  10.653   0.918   7.837
  522   HE22  GLN  66          2HE2      GLN  66  11.147   0.314   6.289
  523    H    GLY  67           HN       GLY  67   7.684   6.485   5.632
  524    HA2  GLY  67           2HA      GLY  67   8.437   8.718   6.207
  525    HA3  GLY  67           1HA      GLY  67   9.477   7.992   7.422
  526    H    ASP  68           HN       ASP  68   9.195   6.533   4.283
  527    HA   ASP  68           HA       ASP  68  11.878   7.559   3.653
  528    HB2  ASP  68           2HB      ASP  68  11.517   5.008   4.062
  529    HB3  ASP  68           1HB      ASP  68  10.784   5.029   2.460
  530    H    ARG  69           HN       ARG  69  11.487   9.235   2.372
  531    HA   ARG  69           HA       ARG  69   9.292   9.481   0.623
  532    HB2  ARG  69           2HB      ARG  69  10.443  11.401   1.590
  533    HB3  ARG  69           1HB      ARG  69  11.903  10.995   0.701
  534    HG2  ARG  69           2HG      ARG  69  10.927  11.578  -1.362
  535    HG3  ARG  69           1HG      ARG  69   9.308  11.641  -0.657
  536    HD2  ARG  69           2HD      ARG  69  11.580  13.479   0.095
  537    HD3  ARG  69           1HD      ARG  69  10.306  13.877  -1.061
  538    HE   ARG  69           HE       ARG  69   8.716  13.784   0.753
  539   HH11  ARG  69          1HH1      ARG  69  12.085  13.748   1.724
  540   HH12  ARG  69          2HH1      ARG  69  11.745  14.320   3.330
  541   HH21  ARG  69          1HH2      ARG  69   8.281  14.515   2.858
  542   HH22  ARG  69          2HH2      ARG  69   9.602  14.765   3.971
  543    H    ALA  70           HN       ALA  70  12.638   8.476   0.106
  544    HA   ALA  70           HA       ALA  70  12.484   8.385  -2.728
  545    HB1  ALA  70           1HB      ALA  70  14.319   6.852  -0.887
  546    HB2  ALA  70           2HB      ALA  70  14.621   8.462  -1.543
  547    HB3  ALA  70           3HB      ALA  70  14.535   7.073  -2.624
  548    H    GLY  71           HN       GLY  71  12.110   5.899  -0.228
  549    HA2  GLY  71           2HA      GLY  71  11.599   3.729  -1.921
  550    HA3  GLY  71           1HA      GLY  71  11.028   3.880  -0.267
  551    H    ALA  72           HN       ALA  72   9.377   6.133  -0.570
  552    HA   ALA  72           HA       ALA  72   6.986   4.952  -1.481
  553    HB1  ALA  72           1HB      ALA  72   7.034   6.704   0.225
  554    HB2  ALA  72           2HB      ALA  72   5.973   7.146  -1.112
  555    HB3  ALA  72           3HB      ALA  72   7.576   7.870  -0.980
  556    H    ARG  73           HN       ARG  73   9.124   7.371  -2.931
  557    HA   ARG  73           HA       ARG  73   7.692   7.916  -5.252
  558    HB2  ARG  73           2HB      ARG  73   9.572   9.277  -4.801
  559    HB3  ARG  73           1HB      ARG  73  10.645   7.894  -4.646
  560    HG2  ARG  73           2HG      ARG  73  10.405   7.478  -7.067
  561    HG3  ARG  73           1HG      ARG  73   9.405   8.925  -7.192
  562    HD2  ARG  73           2HD      ARG  73  12.205   8.954  -6.092
  563    HD3  ARG  73           1HD      ARG  73  11.840   9.204  -7.799
  564    HE   ARG  73           HE       ARG  73  10.304  11.054  -6.738
  565   HH11  ARG  73          1HH1      ARG  73  13.595  10.196  -5.851
  566   HH12  ARG  73          2HH1      ARG  73  14.010  11.823  -5.377
  567   HH21  ARG  73          1HH2      ARG  73  10.884  13.180  -6.130
  568   HH22  ARG  73          2HH2      ARG  73  12.479  13.503  -5.529
  569    H    GLN  74           HN       GLN  74  10.206   5.458  -4.705
  570    HA   GLN  74           HA       GLN  74  10.080   4.414  -7.334
  571    HB2  GLN  74           2HB      GLN  74  11.100   3.083  -4.817
  572    HB3  GLN  74           1HB      GLN  74  11.441   2.568  -6.465
  573    HG2  GLN  74           2HG      GLN  74  12.485   4.821  -6.842
  574    HG3  GLN  74           1HG      GLN  74  12.327   5.101  -5.110
  575   HE21  GLN  74          1HE2      GLN  74  13.974   3.364  -7.593
  576   HE22  GLN  74          2HE2      GLN  74  15.238   2.713  -6.605
  577    H    ALA  75           HN       ALA  75   8.389   3.605  -4.359
  578    HA   ALA  75           HA       ALA  75   7.304   1.139  -5.152
  579    HB1  ALA  75           1HB      ALA  75   6.129   3.179  -3.267
  580    HB2  ALA  75           2HB      ALA  75   7.277   1.910  -2.839
  581    HB3  ALA  75           3HB      ALA  75   5.657   1.485  -3.386
  582    H    TRP  76           HN       TRP  76   5.915   4.423  -5.377
  583    HA   TRP  76           HA       TRP  76   3.521   3.554  -6.612
  584    HB2  TRP  76           2HB      TRP  76   4.842   6.243  -6.376
  585    HB3  TRP  76           1HB      TRP  76   3.353   6.027  -7.291
  586    HD1  TRP  76           1HD      TRP  76   1.814   4.055  -5.364
  587    HE1  TRP  76           1HE      TRP  76   0.944   4.887  -3.092
  588    HE3  TRP  76           3HE      TRP  76   4.857   8.130  -4.755
  589    HZ2  TRP  76           2HZ      TRP  76   1.466   6.973  -1.286
  590    HZ3  TRP  76           3HZ      TRP  76   4.592   9.489  -2.721
  591    HH2  TRP  76           2HH      TRP  76   2.934   8.922  -1.027
  592    H    GLU  77           HN       GLU  77   6.604   4.673  -7.899
  593    HA   GLU  77           HA       GLU  77   5.923   4.780 -10.613
  594    HB2  GLU  77           2HB      GLU  77   8.499   4.101  -9.207
  595    HB3  GLU  77           1HB      GLU  77   8.384   4.220 -10.956
  596    HG2  GLU  77           2HG      GLU  77   7.576   6.460  -9.137
  597    HG3  GLU  77           1HG      GLU  77   9.229   6.248  -9.706
  598    H    SER  78           HN       SER  78   6.840   2.081  -8.554
  599    HA   SER  78           HA       SER  78   7.059   0.180 -10.676
  600    HB2  SER  78           2HB      SER  78   6.676  -0.307  -7.708
  601    HB3  SER  78           1HB      SER  78   7.258  -1.478  -8.891
  602    HG   SER  78           HG       SER  78   8.534   0.920  -8.057
  603    H    GLY  79           HN       GLY  79   4.550   1.006  -8.312
  604    HA2  GLY  79           2HA      GLY  79   2.807  -1.129  -9.063
  605    HA3  GLY  79           1HA      GLY  79   2.394   0.241  -8.047
  606    H    LEU  80           HN       LEU  80   3.281   2.096 -10.249
  607    HA   LEU  80           HA       LEU  80   0.772   2.605 -11.372
  608    HB2  LEU  80           2HB      LEU  80   3.032   4.008 -11.189
  609    HB3  LEU  80           1HB      LEU  80   3.215   3.451 -12.837
  610    HG   LEU  80           HG       LEU  80   1.042   4.466 -13.416
  611   HD11  LEU  80          1HD1      LEU  80   1.137   5.569 -10.614
  612   HD12  LEU  80          2HD1      LEU  80   0.005   4.354 -11.206
  613   HD13  LEU  80          3HD1      LEU  80  -0.037   5.990 -11.861
  614   HD21  LEU  80          3HD2      LEU  80   1.779   6.811 -13.281
  615   HD22  LEU  80          1HD2      LEU  80   3.072   5.728 -13.805
  616   HD23  LEU  80          2HD2      LEU  80   3.044   6.330 -12.148
  617    H    ALA  81           HN       ALA  81   3.664   1.228 -12.889
  618    HA   ALA  81           HA       ALA  81   2.417   0.568 -15.350
  619    HB1  ALA  81           1HB      ALA  81   4.856   0.795 -15.072
  620    HB2  ALA  81           2HB      ALA  81   4.395  -0.736 -15.818
  621    HB3  ALA  81           3HB      ALA  81   4.866  -0.688 -14.119
  622    H    ALA  82           HN       ALA  82   2.671  -1.124 -12.302
  623    HA   ALA  82           HA       ALA  82   1.827  -3.666 -13.207
  624    HB1  ALA  82           1HB      ALA  82   1.430  -2.367 -10.505
  625    HB2  ALA  82           2HB      ALA  82   2.813  -3.346 -10.994
  626    HB3  ALA  82           3HB      ALA  82   1.216  -4.082 -10.860
  627    H    ALA  83           HN       ALA  83   0.066  -0.845 -11.974
  628    HA   ALA  83           HA       ALA  83  -2.518  -1.975 -12.240
  629    HB1  ALA  83           1HB      ALA  83  -3.332   0.311 -11.935
  630    HB2  ALA  83           2HB      ALA  83  -1.694   0.927 -12.168
  631    HB3  ALA  83           3HB      ALA  83  -2.067  -0.084 -10.770
  632    H    GLN  84           HN       GLN  84  -0.494  -0.015 -14.379
  633    HA   GLN  84           HA       GLN  84  -2.300   0.348 -16.477
  634    HB2  GLN  84           2HB      GLN  84   0.692   0.097 -16.370
  635    HB3  GLN  84           1HB      GLN  84  -0.152   0.336 -17.890
  636    HG2  GLN  84           2HG      GLN  84  -0.393   2.174 -15.530
  637    HG3  GLN  84           1HG      GLN  84   0.741   2.405 -16.858
  638   HE21  GLN  84          1HE2      GLN  84  -0.085   2.815 -18.951
  639   HE22  GLN  84          2HE2      GLN  84  -1.663   3.511 -19.155
  640    H    SER  85           HN       SER  85   0.014  -2.280 -15.875
  641    HA   SER  85           HA       SER  85  -0.624  -3.770 -18.183
  642    HB2  SER  85           2HB      SER  85   1.405  -4.056 -16.698
  643    HB3  SER  85           1HB      SER  85   0.363  -4.927 -15.574
  644    HG   SER  85           HG       SER  85  -0.125  -6.085 -17.804
  645    H    ARG  86           HN       ARG  86  -2.193  -3.571 -15.059
  646    HA   ARG  86           HA       ARG  86  -3.947  -5.801 -15.649
  647    HB2  ARG  86           2HB      ARG  86  -3.690  -3.904 -13.337
  648    HB3  ARG  86           1HB      ARG  86  -5.046  -5.011 -13.476
  649    HG2  ARG  86           2HG      ARG  86  -2.152  -5.827 -13.431
  650    HG3  ARG  86           1HG      ARG  86  -3.254  -5.886 -12.055
  651    HD2  ARG  86           2HD      ARG  86  -3.621  -7.372 -14.651
  652    HD3  ARG  86           1HD      ARG  86  -3.011  -8.067 -13.154
  653    HE   ARG  86           HE       ARG  86  -5.469  -6.890 -12.581
  654   HH11  ARG  86          1HH1      ARG  86  -4.247  -9.549 -14.524
  655   HH12  ARG  86          2HH1      ARG  86  -5.723 -10.464 -14.402
  656   HH21  ARG  86          1HH2      ARG  86  -7.382  -8.082 -12.440
  657   HH22  ARG  86          2HH2      ARG  86  -7.508  -9.631 -13.230
  658    H    GLY  87           HN       GLY  87  -3.817  -2.565 -16.456
  659    HA2  GLY  87           2HA      GLY  87  -5.285  -1.259 -17.648
  660    HA3  GLY  87           1HA      GLY  87  -6.354  -2.647 -17.726
  661    H    ASP  88           HN       ASP  88  -5.246  -1.320 -14.704
  662    HA   ASP  88           HA       ASP  88  -8.033  -0.646 -14.091
  663    HB2  ASP  88           2HB      ASP  88  -6.670  -2.298 -12.641
  664    HB3  ASP  88           1HB      ASP  88  -5.853  -0.861 -12.030
  665    H    GLN  89           HN       GLN  89  -8.037   1.321 -15.086
  666    HA   GLN  89           HA       GLN  89  -6.158   3.343 -14.843
  667    HB2  GLN  89           2HB      GLN  89  -9.097   3.358 -15.454
  668    HB3  GLN  89           1HB      GLN  89  -8.126   4.816 -15.498
  669    HG2  GLN  89           2HG      GLN  89  -7.586   2.342 -17.108
  670    HG3  GLN  89           1HG      GLN  89  -8.422   3.772 -17.706
  671   HE21  GLN  89          1HE2      GLN  89  -5.373   2.439 -16.713
  672   HE22  GLN  89          2HE2      GLN  89  -4.377   3.696 -17.354
  673    H    GLN  90           HN       GLN  90  -8.889   2.571 -12.784
  674    HA   GLN  90           HA       GLN  90  -9.017   4.952 -11.337
  675    HB2  GLN  90           2HB      GLN  90 -10.739   3.241 -11.141
  676    HB3  GLN  90           1HB      GLN  90  -9.589   2.132 -10.409
  677    HG2  GLN  90           2HG      GLN  90  -9.372   3.585  -8.485
  678    HG3  GLN  90           1HG      GLN  90 -10.467   4.752  -9.221
  679   HE21  GLN  90          1HE2      GLN  90 -10.919   1.288  -9.420
  680   HE22  GLN  90          2HE2      GLN  90 -12.338   1.233  -8.437
  681    H    VAL  91           HN       VAL  91  -7.096   2.023 -10.737
  682    HA   VAL  91           HA       VAL  91  -5.986   3.003  -8.299
  683    HB   VAL  91           HB       VAL  91  -5.084   0.749 -10.115
  684   HG11  VAL  91          1HG1      VAL  91  -3.702  -0.020  -8.237
  685   HG12  VAL  91          2HG1      VAL  91  -4.128   1.431  -7.328
  686   HG13  VAL  91          3HG1      VAL  91  -3.181   1.566  -8.812
  687   HG21  VAL  91          3HG2      VAL  91  -6.061  -0.683  -8.366
  688   HG22  VAL  91          1HG2      VAL  91  -7.261   0.380  -9.102
  689   HG23  VAL  91          2HG2      VAL  91  -6.609   0.757  -7.507
  690    H    VAL  92           HN       VAL  92  -4.937   3.026 -11.661
  691    HA   VAL  92           HA       VAL  92  -2.319   3.944 -11.331
  692    HB   VAL  92           HB       VAL  92  -4.263   4.602 -13.558
  693   HG11  VAL  92          1HG1      VAL  92  -1.256   4.850 -13.476
  694   HG12  VAL  92          2HG1      VAL  92  -2.411   6.180 -13.546
  695   HG13  VAL  92          3HG1      VAL  92  -2.260   5.072 -14.909
  696   HG21  VAL  92          3HG2      VAL  92  -3.164   2.793 -14.773
  697   HG22  VAL  92          1HG2      VAL  92  -3.897   2.205 -13.281
  698   HG23  VAL  92          2HG2      VAL  92  -2.154   2.458 -13.369
  699    H    LYS  93           HN       LYS  93  -5.332   5.784 -11.766
  700    HA   LYS  93           HA       LYS  93  -4.067   8.308 -11.530
  701    HB2  LYS  93           2HB      LYS  93  -6.961   7.497 -11.295
  702    HB3  LYS  93           1HB      LYS  93  -6.415   9.169 -11.227
  703    HG2  LYS  93           2HG      LYS  93  -5.391   8.879 -13.464
  704    HG3  LYS  93           1HG      LYS  93  -6.086   7.260 -13.530
  705    HD2  LYS  93           2HD      LYS  93  -7.691   9.788 -13.188
  706    HD3  LYS  93           1HD      LYS  93  -7.407   8.996 -14.738
  707    HE2  LYS  93           2HE      LYS  93  -8.471   6.944 -13.803
  708    HE3  LYS  93           1HE      LYS  93  -8.867   7.867 -12.353
  709    HZ1  LYS  93           3HZ      LYS  93 -10.728   7.790 -13.896
  710    HZ2  LYS  93           1HZ      LYS  93  -9.781   8.508 -15.108
  711    HZ3  LYS  93           2HZ      LYS  93 -10.170   9.380 -13.706
  712    H    GLU  94           HN       GLU  94  -5.705   6.224  -9.155
  713    HA   GLU  94           HA       GLU  94  -5.779   8.040  -7.038
  714    HB2  GLU  94           2HB      GLU  94  -5.492   5.036  -7.029
  715    HB3  GLU  94           1HB      GLU  94  -5.732   5.987  -5.579
  716    HG2  GLU  94           2HG      GLU  94  -7.826   6.877  -6.796
  717    HG3  GLU  94           1HG      GLU  94  -7.623   5.461  -7.817
  718    H    LEU  95           HN       LEU  95  -3.284   5.656  -7.879
  719    HA   LEU  95           HA       LEU  95  -1.537   6.441  -5.775
  720    HB2  LEU  95           2HB      LEU  95  -1.082   4.869  -8.305
  721    HB3  LEU  95           1HB      LEU  95   0.181   5.162  -7.124
  722    HG   LEU  95           HG       LEU  95  -2.386   3.638  -6.636
  723   HD11  LEU  95          1HD1      LEU  95  -0.881   1.723  -6.352
  724   HD12  LEU  95          2HD1      LEU  95   0.486   2.735  -6.824
  725   HD13  LEU  95          3HD1      LEU  95  -0.801   2.392  -7.982
  726   HD21  LEU  95          3HD2      LEU  95  -0.073   4.204  -4.786
  727   HD22  LEU  95          1HD2      LEU  95  -1.445   3.151  -4.440
  728   HD23  LEU  95          2HD2      LEU  95  -1.696   4.884  -4.658
  729    H    GLN  96           HN       GLN  96  -1.963   7.441  -9.102
  730    HA   GLN  96           HA       GLN  96   0.436   8.835  -9.459
  731    HB2  GLN  96           2HB      GLN  96  -1.183   8.309 -11.273
  732    HB3  GLN  96           1HB      GLN  96  -2.263   9.535 -10.626
  733    HG2  GLN  96           2HG      GLN  96  -0.593  11.253 -11.055
  734    HG3  GLN  96           1HG      GLN  96   0.509  10.030 -11.683
  735   HE21  GLN  96          1HE2      GLN  96  -2.372  11.868 -12.279
  736   HE22  GLN  96          2HE2      GLN  96  -2.508  11.501 -13.965
  737    H    VAL  97           HN       VAL  97  -2.655   9.876  -8.056
  738    HA   VAL  97           HA       VAL  97  -2.069  12.616  -7.824
  739    HB   VAL  97           HB       VAL  97  -3.842  10.901  -6.063
  740   HG11  VAL  97          1HG1      VAL  97  -3.725  13.906  -6.351
  741   HG12  VAL  97          2HG1      VAL  97  -3.252  12.981  -4.928
  742   HG13  VAL  97          3HG1      VAL  97  -4.940  13.013  -5.438
  743   HG21  VAL  97          3HG2      VAL  97  -4.510  12.667  -8.423
  744   HG22  VAL  97          1HG2      VAL  97  -5.666  11.768  -7.441
  745   HG23  VAL  97          2HG2      VAL  97  -4.491  10.903  -8.433
  746    H    PHE  98           HN       PHE  98  -1.554   9.949  -5.546
  747    HA   PHE  98           HA       PHE  98  -0.451  11.525  -3.471
  748    HB2  PHE  98           2HB      PHE  98  -0.353   8.591  -4.131
  749    HB3  PHE  98           1HB      PHE  98   0.570   9.245  -2.783
  750    HD1  PHE  98           1HD      PHE  98  -2.898   9.828  -4.065
  751    HD2  PHE  98           2HD      PHE  98  -0.411   8.722  -0.792
  752    HE1  PHE  98           1HE      PHE  98  -4.881   9.650  -2.621
  753    HE2  PHE  98           2HE      PHE  98  -2.392   8.541   0.656
  754    HZ   PHE  98           HZ       PHE  98  -4.631   9.006  -0.258
  755    H    LEU  99           HN       LEU  99   0.946   9.835  -6.216
  756    HA   LEU  99           HA       LEU  99   3.654  10.113  -5.551
  757    HB2  LEU  99           2HB      LEU  99   2.776   8.597  -7.278
  758    HB3  LEU  99           1HB      LEU  99   2.360   9.978  -8.274
  759    HG   LEU  99           HG       LEU  99   4.756  10.551  -8.448
  760   HD11  LEU  99          1HD1      LEU  99   6.434   8.917  -7.738
  761   HD12  LEU  99          2HD1      LEU  99   5.169   7.954  -6.969
  762   HD13  LEU  99          3HD1      LEU  99   5.541   9.568  -6.363
  763   HD21  LEU  99          3HD2      LEU  99   4.023   7.745  -9.268
  764   HD22  LEU  99          1HD2      LEU  99   5.357   8.687  -9.931
  765   HD23  LEU  99          2HD2      LEU  99   3.694   9.221 -10.176
  766    H    ARG 100           HN       ARG 100   1.395  12.316  -7.086
  767    HA   ARG 100           HA       ARG 100   3.315  14.223  -7.984
  768    HB2  ARG 100           2HB      ARG 100   0.462  14.786  -7.197
  769    HB3  ARG 100           1HB      ARG 100   1.457  15.668  -8.339
  770    HG2  ARG 100           2HG      ARG 100   0.803  12.816  -8.843
  771    HG3  ARG 100           1HG      ARG 100  -0.384  14.072  -9.161
  772    HD2  ARG 100           2HD      ARG 100   0.838  13.601 -11.188
  773    HD3  ARG 100           1HD      ARG 100   1.279  15.206 -10.610
  774    HE   ARG 100           HE       ARG 100   3.101  13.311  -9.597
  775   HH11  ARG 100          1HH1      ARG 100   2.204  14.846 -12.605
  776   HH12  ARG 100          2HH1      ARG 100   3.806  14.762 -13.277
  777   HH21  ARG 100          1HH2      ARG 100   5.207  13.177 -10.456
  778   HH22  ARG 100          2HH2      ARG 100   5.527  13.814 -12.044
  779    H    ARG 101           HN       ARG 101   1.129  14.017  -5.232
  780    HA   ARG 101           HA       ARG 101   1.885  16.370  -3.944
  781    HB2  ARG 101           2HB      ARG 101  -0.080  14.992  -3.299
  782    HB3  ARG 101           1HB      ARG 101   1.012  13.822  -2.569
  783    HG2  ARG 101           2HG      ARG 101   1.832  15.562  -1.042
  784    HG3  ARG 101           1HG      ARG 101   0.693  16.700  -1.752
  785    HD2  ARG 101           2HD      ARG 101  -1.170  15.279  -1.018
  786    HD3  ARG 101           1HD      ARG 101  -0.014  14.164  -0.282
  787    HE   ARG 101           HE       ARG 101   0.048  16.964   0.564
  788   HH11  ARG 101          1HH1      ARG 101  -0.927  13.666   1.302
  789   HH12  ARG 101          2HH1      ARG 101  -0.983  13.951   3.015
  790   HH21  ARG 101          1HH2      ARG 101  -0.017  17.310   2.802
  791   HH22  ARG 101          2HH2      ARG 101  -0.442  16.006   3.876
  792    H    LEU 102           HN       LEU 102   3.350  13.150  -3.748
  793    HA   LEU 102           HA       LEU 102   5.172  13.741  -1.671
  794    HB2  LEU 102           2HB      LEU 102   4.647  11.452  -2.457
  795    HB3  LEU 102           1HB      LEU 102   5.502  11.787  -3.951
  796    HG   LEU 102           HG       LEU 102   7.563  12.205  -2.547
  797   HD11  LEU 102          1HD1      LEU 102   7.599  11.239  -0.312
  798   HD12  LEU 102          2HD1      LEU 102   5.872  10.895  -0.427
  799   HD13  LEU 102          3HD1      LEU 102   6.441  12.566  -0.418
  800   HD21  LEU 102          3HD2      LEU 102   7.193  10.141  -3.828
  801   HD22  LEU 102          1HD2      LEU 102   6.377   9.437  -2.433
  802   HD23  LEU 102          2HD2      LEU 102   8.090   9.850  -2.337
  803    H    ALA 103           HN       ALA 103   5.311  14.139  -5.151
  804    HA   ALA 103           HA       ALA 103   8.016  14.840  -5.402
  805    HB1  ALA 103           1HB      ALA 103   5.692  15.696  -7.122
  806    HB2  ALA 103           2HB      ALA 103   6.640  14.223  -7.321
  807    HB3  ALA 103           3HB      ALA 103   7.397  15.798  -7.561
  808    H    ARG 104           HN       ARG 104   5.225  16.669  -4.399
  809    HA   ARG 104           HA       ARG 104   6.270  19.256  -4.818
  810    HB2  ARG 104           2HB      ARG 104   4.220  18.391  -2.772
  811    HB3  ARG 104           1HB      ARG 104   4.484  20.031  -3.355
  812    HG2  ARG 104           2HG      ARG 104   3.869  19.265  -5.630
  813    HG3  ARG 104           1HG      ARG 104   3.481  17.685  -4.951
  814    HD2  ARG 104           2HD      ARG 104   1.854  18.841  -3.437
  815    HD3  ARG 104           1HD      ARG 104   2.153  20.320  -4.351
  816    HE   ARG 104           HE       ARG 104   0.773  17.918  -5.306
  817   HH11  ARG 104          1HH1      ARG 104   1.903  21.184  -5.953
  818   HH12  ARG 104          2HH1      ARG 104   0.918  21.362  -7.381
  819   HH21  ARG 104          1HH2      ARG 104  -0.512  18.163  -7.138
  820   HH22  ARG 104          2HH2      ARG 104  -0.488  19.653  -8.035
  821    H    GLU 105           HN       GLU 105   6.673  16.942  -2.197
  822    HA   GLU 105           HA       GLU 105   7.947  18.777  -0.428
  823    HB2  GLU 105           2HB      GLU 105   7.995  15.760  -0.552
  824    HB3  GLU 105           1HB      GLU 105   8.700  16.716   0.734
  825    HG2  GLU 105           2HG      GLU 105   6.357  17.708   1.026
  826    HG3  GLU 105           1HG      GLU 105   5.817  16.342   0.050
  827    H    ASP 106           HN       ASP 106   9.020  16.436  -2.838
  828    HA   ASP 106           HA       ASP 106  11.797  16.740  -2.572
  829    HB2  ASP 106           2HB      ASP 106  10.675  15.043  -4.023
  830    HB3  ASP 106           1HB      ASP 106  10.243  16.325  -5.141
  831    H    ALA 107           HN       ALA 107   9.392  18.526  -4.355
  832    HA   ALA 107           HA       ALA 107  10.975  20.329  -5.734
  833    HB1  ALA 107           1HB      ALA 107   8.271  20.839  -4.506
  834    HB2  ALA 107           2HB      ALA 107   8.571  20.100  -6.079
  835    HB3  ALA 107           3HB      ALA 107   9.022  21.781  -5.794
  836    H    LEU 108           HN       LEU 108  10.212  20.251  -2.332
  837    HA   LEU 108           HA       LEU 108  11.035  22.964  -1.863
  838    HB2  LEU 108           2HB      LEU 108  10.444  20.693   0.034
  839    HB3  LEU 108           1HB      LEU 108  10.744  22.346   0.512
  840    HG   LEU 108           HG       LEU 108   8.436  21.416  -1.165
  841   HD11  LEU 108          1HD1      LEU 108   8.195  20.704   1.128
  842   HD12  LEU 108          2HD1      LEU 108   7.091  22.042   0.806
  843   HD13  LEU 108          3HD1      LEU 108   8.586  22.323   1.700
  844   HD21  LEU 108          3HD2      LEU 108   9.183  23.678  -1.741
  845   HD22  LEU 108          1HD2      LEU 108   9.045  24.145  -0.046
  846   HD23  LEU 108          2HD2      LEU 108   7.605  23.689  -0.956
  847    H    GLU 109           HN       GLU 109  12.383  19.747  -1.032
  848    HA   GLU 109           HA       GLU 109  14.720  20.997   0.111
  849    HB2  GLU 109           2HB      GLU 109  14.104  18.072  -0.247
  850    HB3  GLU 109           1HB      GLU 109  15.417  18.735   0.714
  851    HG2  GLU 109           2HG      GLU 109  13.738  19.838   2.160
  852    HG3  GLU 109           1HG      GLU 109  12.471  19.022   1.243
  853    H    HIS 110           HN       HIS 110  13.877  19.394  -2.755
  854    HA   HIS 110           HA       HIS 110  16.674  19.237  -3.650
  855    HB2  HIS 110           2HB      HIS 110  15.473  17.117  -3.666
  856    HB3  HIS 110           1HB      HIS 110  14.162  17.826  -4.590
  857    HD1  HIS 110           1HD      HIS 110  14.183  16.697  -6.741
  858    HD2  HIS 110           2HD      HIS 110  18.028  17.707  -5.509
  859    HE1  HIS 110           1HE      HIS 110  15.703  16.033  -8.636
  860    HE2  HIS 110           2HE      HIS 110  18.016  16.721  -7.909
  861    H    HIS 111           HN       HIS 111  14.267  21.302  -3.667
  862    HA   HIS 111           HA       HIS 111  13.406  22.950  -4.944
  863    HB2  HIS 111           2HB      HIS 111  15.827  23.603  -4.557
  864    HB3  HIS 111           1HB      HIS 111  16.130  23.079  -6.208
  865    HD1  HIS 111           1HD      HIS 111  14.481  25.779  -4.217
  866    HD2  HIS 111           2HD      HIS 111  15.091  24.788  -8.210
  867    HE1  HIS 111           1HE      HIS 111  13.820  27.817  -5.533
  868    HE2  HIS 111           2HE      HIS 111  13.943  27.095  -7.939
  869    H    HIS 112           HN       HIS 112  12.418  20.812  -5.988
  870    HA   HIS 112           HA       HIS 112  12.710  21.072  -8.892
  871    HB2  HIS 112           2HB      HIS 112  12.504  18.794  -7.820
  872    HB3  HIS 112           1HB      HIS 112  10.875  19.236  -7.325
  873    HD1  HIS 112           1HD      HIS 112  12.819  19.125 -10.614
  874    HD2  HIS 112           2HD      HIS 112   9.028  18.343  -9.083
  875    HE1  HIS 112           1HE      HIS 112  11.485  18.204 -12.535
  876    HE2  HIS 112           2HE      HIS 112   9.251  17.577 -11.548
  877    H    HIS 113           HN       HIS 113  11.625  22.932  -6.771
  878    HA   HIS 113           HA       HIS 113   8.863  23.342  -7.053
  879    HB2  HIS 113           2HB      HIS 113  10.454  24.269  -5.300
  880    HB3  HIS 113           1HB      HIS 113  10.980  25.432  -6.503
  881    HD1  HIS 113           1HD      HIS 113   9.929  27.624  -6.203
  882    HD2  HIS 113           2HD      HIS 113   7.437  24.526  -4.960
  883    HE1  HIS 113           1HE      HIS 113   7.851  28.733  -5.295
  884    HE2  HIS 113           2HE      HIS 113   6.525  26.845  -4.285
  885    H    HIS 114           HN       HIS 114   7.701  24.840  -8.344
  886    HA   HIS 114           HA       HIS 114   8.429  25.052 -11.026
  887    HB2  HIS 114           2HB      HIS 114   6.115  25.221 -10.232
  888    HB3  HIS 114           1HB      HIS 114   6.478  26.758  -9.459
  889    HD1  HIS 114           1HD      HIS 114   6.752  25.361 -13.012
  890    HD2  HIS 114           2HD      HIS 114   5.640  28.816 -10.974
  891    HE1  HIS 114           1HE      HIS 114   5.942  26.963 -14.773
  892    HE2  HIS 114           2HE      HIS 114   5.115  28.976 -13.503
  893    H    HIS 115           HN       HIS 115   9.140  27.136  -8.346
  894    HA   HIS 115           HA       HIS 115  10.815  28.744 -10.139
  895    HB2  HIS 115           2HB      HIS 115   8.953  30.157  -9.423
  896    HB3  HIS 115           1HB      HIS 115   9.265  29.751  -7.737
  897    HD1  HIS 115           1HD      HIS 115  10.857  31.217  -6.503
  898    HD2  HIS 115           2HD      HIS 115  11.103  31.740 -10.621
  899    HE1  HIS 115           1HE      HIS 115  12.396  33.175  -6.847
  900    HE2  HIS 115           2HE      HIS 115  12.689  33.344  -9.348
  Start of MODEL    2
    1    H1   MET   1           H1       MET   1  -9.313  -1.212  23.428
    2    H2   MET   1           H2       MET   1 -10.884  -0.873  22.893
    3    H3   MET   1           H3       MET   1  -9.688   0.321  22.800
    4    HA   MET   1           HA       MET   1 -10.093  -0.607  20.631
    5    HB2  MET   1           2HB      MET   1  -7.458  -1.388  21.892
    6    HB3  MET   1           1HB      MET   1  -7.760  -1.457  20.162
    7    HG2  MET   1           2HG      MET   1  -7.954   1.032  21.836
    8    HG3  MET   1           1HG      MET   1  -6.547   0.564  20.884
    9    HE1  MET   1           2HE      MET   1  -8.022   3.386  20.611
   10    HE2  MET   1           3HE      MET   1  -8.025   3.576  18.857
   11    HE3  MET   1           1HE      MET   1  -6.606   2.922  19.672
   12    H    GLN   2           HN       GLN   2  -9.845  -2.487  19.203
   13    HA   GLN   2           HA       GLN   2  -9.961  -5.065  20.608
   14    HB2  GLN   2           2HB      GLN   2 -12.259  -4.472  20.036
   15    HB3  GLN   2           1HB      GLN   2 -11.796  -4.213  18.362
   16    HG2  GLN   2           2HG      GLN   2 -11.155  -6.603  18.223
   17    HG3  GLN   2           1HG      GLN   2 -11.764  -6.822  19.861
   18   HE21  GLN   2          1HE2      GLN   2 -13.293  -4.711  17.531
   19   HE22  GLN   2          2HE2      GLN   2 -14.711  -5.674  17.306
   20    H    ALA   3           HN       ALA   3  -9.130  -6.786  19.494
   21    HA   ALA   3           HA       ALA   3  -7.442  -6.035  17.203
   22    HB1  ALA   3           1HB      ALA   3  -6.225  -6.840  19.182
   23    HB2  ALA   3           2HB      ALA   3  -6.012  -7.915  17.799
   24    HB3  ALA   3           3HB      ALA   3  -7.114  -8.363  19.100
   25    H    ILE   4           HN       ILE   4  -9.222  -6.253  15.773
   26    HA   ILE   4           HA       ILE   4 -10.716  -8.583  15.376
   27    HB   ILE   4           HB       ILE   4  -9.865  -6.554  13.306
   28   HG12  ILE   4          2HG1      ILE   4 -12.346  -6.662  15.034
   29   HG13  ILE   4          1HG1      ILE   4 -11.010  -5.538  15.236
   30   HG21  ILE   4          1HG2      ILE   4 -10.704  -8.571  12.262
   31   HG22  ILE   4          2HG2      ILE   4 -11.890  -7.276  12.094
   32   HG23  ILE   4          3HG2      ILE   4 -12.132  -8.545  13.295
   33   HD11  ILE   4          3HD1      ILE   4 -12.912  -4.501  14.130
   34   HD12  ILE   4          1HD1      ILE   4 -12.811  -5.693  12.835
   35   HD13  ILE   4          2HD1      ILE   4 -11.497  -4.541  13.077
   36    H    THR   5           HN       THR   5  -7.606  -7.565  14.078
   37    HA   THR   5           HA       THR   5  -7.192  -9.618  12.245
   38    HB   THR   5           HB       THR   5  -5.800  -7.615  12.295
   39    HG1  THR   5           1HG      THR   5  -3.722  -9.257  12.737
   40   HG21  THR   5          3HG2      THR   5  -4.025  -7.349  13.983
   41   HG22  THR   5          1HG2      THR   5  -4.673  -8.732  14.863
   42   HG23  THR   5          2HG2      THR   5  -5.638  -7.266  14.693
   43    H    GLU   6           HN       GLU   6  -6.838  -9.568  15.722
   44    HA   GLU   6           HA       GLU   6  -5.171 -11.830  16.004
   45    HB2  GLU   6           2HB      GLU   6  -5.524 -10.135  17.766
   46    HB3  GLU   6           1HB      GLU   6  -7.182 -10.684  17.951
   47    HG2  GLU   6           2HG      GLU   6  -6.358 -12.885  18.650
   48    HG3  GLU   6           1HG      GLU   6  -4.702 -12.294  18.510
   49    H    ARG   7           HN       ARG   7  -8.728 -11.476  16.160
   50    HA   ARG   7           HA       ARG   7  -9.087 -14.287  16.522
   51    HB2  ARG   7           2HB      ARG   7 -11.483 -13.862  16.184
   52    HB3  ARG   7           1HB      ARG   7 -10.769 -12.805  17.386
   53    HG2  ARG   7           2HG      ARG   7 -11.977 -11.256  16.310
   54    HG3  ARG   7           1HG      ARG   7 -10.578 -11.221  15.236
   55    HD2  ARG   7           2HD      ARG   7 -11.652 -12.531  13.614
   56    HD3  ARG   7           1HD      ARG   7 -12.892 -13.071  14.750
   57    HE   ARG   7           HE       ARG   7 -13.121 -10.313  14.580
   58   HH11  ARG   7          1HH1      ARG   7 -13.445 -13.052  12.419
   59   HH12  ARG   7          2HH1      ARG   7 -14.652 -12.291  11.424
   60   HH21  ARG   7          1HH2      ARG   7 -14.698  -9.316  13.290
   61   HH22  ARG   7          2HH2      ARG   7 -15.351 -10.144  11.907
   62    H    LEU   8           HN       LEU   8  -8.956 -12.155  13.758
   63    HA   LEU   8           HA       LEU   8  -9.844 -13.998  11.813
   64    HB2  LEU   8           2HB      LEU   8  -7.958 -11.653  11.636
   65    HB3  LEU   8           1HB      LEU   8  -8.444 -12.593  10.239
   66    HG   LEU   8           HG       LEU   8 -10.319 -11.032  12.021
   67   HD11  LEU   8          1HD1      LEU   8  -9.269 -10.467   9.250
   68   HD12  LEU   8          2HD1      LEU   8  -8.907  -9.557  10.717
   69   HD13  LEU   8          3HD1      LEU   8 -10.544  -9.559  10.062
   70   HD21  LEU   8          3HD2      LEU   8 -11.392 -12.987  11.054
   71   HD22  LEU   8          1HD2      LEU   8 -10.794 -12.546   9.453
   72   HD23  LEU   8          2HD2      LEU   8 -11.973 -11.518  10.269
   73    H    GLU   9           HN       GLU   9  -6.633 -13.324  13.158
   74    HA   GLU   9           HA       GLU   9  -5.225 -15.173  11.567
   75    HB2  GLU   9           2HB      GLU   9  -4.109 -13.374  12.780
   76    HB3  GLU   9           1HB      GLU   9  -4.618 -14.065  14.315
   77    HG2  GLU   9           2HG      GLU   9  -3.210 -15.936  14.037
   78    HG3  GLU   9           1HG      GLU   9  -2.864 -15.506  12.364
   79    H    ALA  10           HN       ALA  10  -6.950 -15.442  14.625
   80    HA   ALA  10           HA       ALA  10  -6.245 -18.075  15.277
   81    HB1  ALA  10           1HB      ALA  10  -8.884 -16.683  15.767
   82    HB2  ALA  10           2HB      ALA  10  -7.463 -16.592  16.808
   83    HB3  ALA  10           3HB      ALA  10  -8.301 -18.128  16.595
   84    H    MET  11           HN       MET  11  -8.927 -16.814  13.318
   85    HA   MET  11           HA       MET  11 -10.054 -19.271  12.585
   86    HB2  MET  11           2HB      MET  11 -10.015 -16.612  11.146
   87    HB3  MET  11           1HB      MET  11 -11.011 -17.976  10.669
   88    HG2  MET  11           2HG      MET  11 -12.210 -17.889  12.756
   89    HG3  MET  11           1HG      MET  11 -11.144 -16.616  13.344
   90    HE1  MET  11           3HE      MET  11 -14.079 -16.052   9.826
   91    HE2  MET  11           1HE      MET  11 -13.900 -17.567  10.710
   92    HE3  MET  11           2HE      MET  11 -12.580 -16.974   9.702
   93    H    LEU  12           HN       LEU  12  -7.463 -17.359  11.175
   94    HA   LEU  12           HA       LEU  12  -6.987 -18.818   8.843
   95    HB2  LEU  12           2HB      LEU  12  -5.918 -16.669   9.368
   96    HB3  LEU  12           1HB      LEU  12  -5.019 -17.421  10.667
   97    HG   LEU  12           HG       LEU  12  -3.939 -18.888   8.895
   98   HD11  LEU  12          1HD1      LEU  12  -3.934 -17.991   6.615
   99   HD12  LEU  12          2HD1      LEU  12  -5.159 -16.810   7.084
  100   HD13  LEU  12          3HD1      LEU  12  -5.537 -18.533   7.110
  101   HD21  LEU  12          3HD2      LEU  12  -3.464 -15.910   8.835
  102   HD22  LEU  12          1HD2      LEU  12  -2.335 -17.140   8.266
  103   HD23  LEU  12          2HD2      LEU  12  -2.765 -17.060   9.975
  104    H    ALA  13           HN       ALA  13  -5.715 -19.245  12.123
  105    HA   ALA  13           HA       ALA  13  -4.162 -21.553  11.436
  106    HB1  ALA  13           1HB      ALA  13  -3.502 -20.036  13.242
  107    HB2  ALA  13           2HB      ALA  13  -3.686 -21.693  13.815
  108    HB3  ALA  13           3HB      ALA  13  -4.939 -20.499  14.154
  109    H    GLN  14           HN       GLN  14  -7.449 -21.055  12.181
  110    HA   GLN  14           HA       GLN  14  -7.913 -23.674  13.293
  111    HB2  GLN  14           2HB      GLN  14  -9.664 -21.357  12.555
  112    HB3  GLN  14           1HB      GLN  14 -10.374 -22.929  12.903
  113    HG2  GLN  14           2HG      GLN  14  -8.582 -21.396  14.775
  114    HG3  GLN  14           1HG      GLN  14 -10.343 -21.424  14.847
  115   HE21  GLN  14          1HE2      GLN  14  -7.423 -23.218  15.386
  116   HE22  GLN  14          2HE2      GLN  14  -8.147 -24.529  16.259
  117    H    GLY  15           HN       GLY  15  -7.129 -22.819  10.280
  118    HA2  GLY  15           2HA      GLY  15  -7.082 -24.635   8.661
  119    HA3  GLY  15           1HA      GLY  15  -8.698 -25.072   9.194
  120    H    THR  16           HN       THR  16  -7.584 -21.809   8.491
  121    HA   THR  16           HA       THR  16  -8.952 -21.919   5.909
  122    HB   THR  16           HB       THR  16  -9.286 -19.547   7.760
  123    HG1  THR  16           1HG      THR  16 -10.648 -21.953   7.620
  124   HG21  THR  16          3HG2      THR  16 -10.720 -20.358   5.218
  125   HG22  THR  16          1HG2      THR  16  -9.508 -19.085   5.345
  126   HG23  THR  16          2HG2      THR  16 -11.053 -18.918   6.178
  127    H    ASP  17           HN       ASP  17  -6.413 -22.266   5.887
  128    HA   ASP  17           HA       ASP  17  -4.809 -19.915   5.868
  129    HB2  ASP  17           2HB      ASP  17  -4.415 -22.597   4.516
  130    HB3  ASP  17           1HB      ASP  17  -3.207 -21.319   4.546
  131    H    ASN  18           HN       ASN  18  -6.062 -18.432   4.728
  132    HA   ASN  18           HA       ASN  18  -6.457 -18.992   1.867
  133    HB2  ASN  18           2HB      ASN  18  -8.526 -18.879   3.195
  134    HB3  ASN  18           1HB      ASN  18  -8.115 -17.252   3.703
  135   HD21  ASN  18          1HD2      ASN  18  -9.304 -19.268   1.184
  136   HD22  ASN  18          2HD2      ASN  18  -9.830 -17.994   0.135
  137    H    MET  19           HN       MET  19  -6.401 -17.143   0.476
  138    HA   MET  19           HA       MET  19  -4.111 -15.510   1.159
  139    HB2  MET  19           2HB      MET  19  -4.134 -16.458  -1.051
  140    HB3  MET  19           1HB      MET  19  -5.711 -15.756  -1.388
  141    HG2  MET  19           2HG      MET  19  -4.715 -13.509  -1.200
  142    HG3  MET  19           1HG      MET  19  -3.134 -14.258  -0.972
  143    HE1  MET  19           3HE      MET  19  -3.980 -12.058  -3.172
  144    HE2  MET  19           1HE      MET  19  -3.101 -12.646  -4.584
  145    HE3  MET  19           2HE      MET  19  -2.328 -12.646  -2.999
  146    H    LEU  20           HN       LEU  20  -7.372 -14.813  -0.115
  147    HA   LEU  20           HA       LEU  20  -7.201 -12.026   0.261
  148    HB2  LEU  20           2HB      LEU  20  -8.851 -13.194  -1.199
  149    HB3  LEU  20           1HB      LEU  20  -9.694 -13.731   0.242
  150    HG   LEU  20           HG       LEU  20 -10.103 -11.348   0.835
  151   HD11  LEU  20          1HD1      LEU  20  -8.225 -10.370  -0.393
  152   HD12  LEU  20          2HD1      LEU  20  -9.758  -9.629  -0.848
  153   HD13  LEU  20          3HD1      LEU  20  -8.998 -10.806  -1.917
  154   HD21  LEU  20          3HD2      LEU  20 -11.799 -12.679  -0.320
  155   HD22  LEU  20          1HD2      LEU  20 -11.117 -12.200  -1.876
  156   HD23  LEU  20          2HD2      LEU  20 -11.853 -10.991  -0.826
  157    H    LEU  21           HN       LEU  21  -8.262 -14.633   2.352
  158    HA   LEU  21           HA       LEU  21  -9.368 -13.123   4.434
  159    HB2  LEU  21           2HB      LEU  21  -9.451 -15.627   4.139
  160    HB3  LEU  21           1HB      LEU  21  -7.805 -15.693   4.720
  161    HG   LEU  21           HG       LEU  21  -9.634 -16.262   6.385
  162   HD11  LEU  21          1HD1      LEU  21  -7.377 -15.804   7.123
  163   HD12  LEU  21          2HD1      LEU  21  -8.540 -15.105   8.249
  164   HD13  LEU  21          3HD1      LEU  21  -7.694 -14.069   7.098
  165   HD21  LEU  21          3HD2      LEU  21 -11.188 -14.489   5.784
  166   HD22  LEU  21          1HD2      LEU  21 -10.030 -13.276   6.325
  167   HD23  LEU  21          2HD2      LEU  21 -10.748 -14.393   7.486
  168    H    ARG  22           HN       ARG  22  -6.029 -14.385   4.113
  169    HA   ARG  22           HA       ARG  22  -5.138 -13.062   6.459
  170    HB2  ARG  22           2HB      ARG  22  -2.987 -13.888   5.974
  171    HB3  ARG  22           1HB      ARG  22  -4.092 -15.112   5.372
  172    HG2  ARG  22           2HG      ARG  22  -3.818 -14.136   3.094
  173    HG3  ARG  22           1HG      ARG  22  -2.573 -13.079   3.761
  174    HD2  ARG  22           2HD      ARG  22  -2.546 -16.087   3.631
  175    HD3  ARG  22           1HD      ARG  22  -1.500 -14.970   2.759
  176    HE   ARG  22           HE       ARG  22  -1.365 -14.851   5.668
  177   HH11  ARG  22          1HH1      ARG  22   0.052 -16.027   2.692
  178   HH12  ARG  22          2HH1      ARG  22   1.575 -16.443   3.416
  179   HH21  ARG  22          1HH2      ARG  22   0.614 -15.430   6.648
  180   HH22  ARG  22          2HH2      ARG  22   1.878 -16.145   5.694
  181    H    PHE  23           HN       PHE  23  -5.436 -12.102   3.146
  182    HA   PHE  23           HA       PHE  23  -3.712  -9.863   3.179
  183    HB2  PHE  23           2HB      PHE  23  -4.499 -10.703   1.067
  184    HB3  PHE  23           1HB      PHE  23  -6.178 -10.483   1.542
  185    HD1  PHE  23           2HD      PHE  23  -3.057  -8.659   0.734
  186    HD2  PHE  23           1HD      PHE  23  -7.290  -8.457   1.145
  187    HE1  PHE  23           2HE      PHE  23  -3.044  -6.413  -0.266
  188    HE2  PHE  23           1HE      PHE  23  -7.281  -6.208   0.143
  189    HZ   PHE  23           HZ       PHE  23  -5.154  -5.184  -0.562
  190    H    THR  24           HN       THR  24  -7.049 -10.348   4.142
  191    HA   THR  24           HA       THR  24  -7.835  -7.686   4.470
  192    HB   THR  24           HB       THR  24  -8.723 -10.053   6.139
  193    HG1  THR  24           1HG      THR  24  -8.912 -10.307   3.787
  194   HG21  THR  24          3HG2      THR  24  -9.436  -7.869   7.030
  195   HG22  THR  24          1HG2      THR  24 -10.806  -8.788   6.407
  196   HG23  THR  24          2HG2      THR  24 -10.131  -7.462   5.461
  197    H    LEU  25           HN       LEU  25  -6.208  -9.910   6.693
  198    HA   LEU  25           HA       LEU  25  -6.109  -8.250   8.946
  199    HB2  LEU  25           2HB      LEU  25  -4.236 -10.412   7.992
  200    HB3  LEU  25           1HB      LEU  25  -3.993  -9.564   9.504
  201    HG   LEU  25           HG       LEU  25  -6.273 -10.372  10.216
  202   HD11  LEU  25          1HD1      LEU  25  -7.191 -12.314   9.067
  203   HD12  LEU  25          2HD1      LEU  25  -5.956 -12.167   7.815
  204   HD13  LEU  25          3HD1      LEU  25  -7.170 -10.903   8.009
  205   HD21  LEU  25          3HD2      LEU  25  -5.470 -12.605  10.790
  206   HD22  LEU  25          1HD2      LEU  25  -4.213 -11.389  11.017
  207   HD23  LEU  25          2HD2      LEU  25  -4.173 -12.446   9.605
  208    H    GLY  26           HN       GLY  26  -4.065  -8.424   6.090
  209    HA2  GLY  26           2HA      GLY  26  -1.931  -6.822   6.976
  210    HA3  GLY  26           1HA      GLY  26  -2.399  -7.055   5.298
  211    H    LYS  27           HN       LYS  27  -4.897  -5.952   5.242
  212    HA   LYS  27           HA       LYS  27  -4.419  -3.189   5.098
  213    HB2  LYS  27           2HB      LYS  27  -7.017  -4.722   5.260
  214    HB3  LYS  27           1HB      LYS  27  -6.905  -3.011   4.899
  215    HG2  LYS  27           2HG      LYS  27  -5.671  -3.499   2.863
  216    HG3  LYS  27           1HG      LYS  27  -5.727  -5.224   3.237
  217    HD2  LYS  27           2HD      LYS  27  -7.454  -4.614   1.612
  218    HD3  LYS  27           1HD      LYS  27  -8.170  -5.172   3.126
  219    HE2  LYS  27           2HE      LYS  27  -8.337  -2.737   3.790
  220    HE3  LYS  27           1HE      LYS  27  -7.909  -2.344   2.127
  221    HZ1  LYS  27           3HZ      LYS  27 -10.336  -2.388   2.607
  222    HZ2  LYS  27           1HZ      LYS  27 -10.222  -4.055   2.859
  223    HZ3  LYS  27           2HZ      LYS  27  -9.865  -3.396   1.336
  224    H    THR  28           HN       THR  28  -5.972  -5.201   7.542
  225    HA   THR  28           HA       THR  28  -6.993  -3.180   9.163
  226    HB   THR  28           HB       THR  28  -6.028  -5.913  10.031
  227    HG1  THR  28           1HG      THR  28  -7.985  -5.240   8.366
  228   HG21  THR  28          3HG2      THR  28  -7.684  -5.670  11.836
  229   HG22  THR  28          1HG2      THR  28  -8.022  -4.027  11.294
  230   HG23  THR  28          2HG2      THR  28  -6.429  -4.434  11.933
  231    H    TYR  29           HN       TYR  29  -3.799  -4.727   9.201
  232    HA   TYR  29           HA       TYR  29  -2.834  -3.397  11.489
  233    HB2  TYR  29           2HB      TYR  29  -1.404  -4.548   9.096
  234    HB3  TYR  29           1HB      TYR  29  -0.544  -3.809  10.442
  235    HD1  TYR  29           2HD      TYR  29  -1.438  -4.732  12.830
  236    HD2  TYR  29           1HD      TYR  29  -1.561  -6.847   9.141
  237    HE1  TYR  29           2HE      TYR  29  -1.537  -6.856  14.061
  238    HE2  TYR  29           1HE      TYR  29  -1.659  -8.981  10.363
  239    HH   TYR  29           HH       TYR  29  -1.155  -9.915  12.502
  240    H    ALA  30           HN       ALA  30  -2.804  -2.517   8.064
  241    HA   ALA  30           HA       ALA  30  -1.187  -0.208   8.399
  242    HB1  ALA  30           1HB      ALA  30  -3.138  -0.855   6.193
  243    HB2  ALA  30           2HB      ALA  30  -1.443  -1.340   6.246
  244    HB3  ALA  30           3HB      ALA  30  -1.870   0.368   6.134
  245    H    GLU  31           HN       GLU  31  -4.670  -0.750   8.404
  246    HA   GLU  31           HA       GLU  31  -5.382   2.004   8.524
  247    HB2  GLU  31           2HB      GLU  31  -6.956  -0.439   9.359
  248    HB3  GLU  31           1HB      GLU  31  -7.617   1.178   9.165
  249    HG2  GLU  31           2HG      GLU  31  -6.974   1.122   6.786
  250    HG3  GLU  31           1HG      GLU  31  -6.418  -0.537   7.004
  251    H    HIS  32           HN       HIS  32  -4.379  -0.317  10.902
  252    HA   HIS  32           HA       HIS  32  -5.295   1.404  13.083
  253    HB2  HIS  32           2HB      HIS  32  -4.333  -1.435  12.958
  254    HB3  HIS  32           1HB      HIS  32  -4.330  -0.562  14.483
  255    HD1  HIS  32           1HD      HIS  32  -6.426  -0.750  15.799
  256    HD2  HIS  32           2HD      HIS  32  -7.060  -1.409  11.737
  257    HE1  HIS  32           1HE      HIS  32  -8.849  -1.392  15.579
  258    HE2  HIS  32           2HE      HIS  32  -9.236  -1.697  13.103
  259    H    GLU  33           HN       GLU  33  -2.914   1.788  11.178
  260    HA   GLU  33           HA       GLU  33  -1.008   3.010  11.324
  261    HB2  GLU  33           2HB      GLU  33  -2.355   4.120  13.191
  262    HB3  GLU  33           1HB      GLU  33  -1.416   3.145  14.310
  263    HG2  GLU  33           2HG      GLU  33   0.602   4.221  13.675
  264    HG3  GLU  33           1HG      GLU  33  -0.189   5.037  12.325
  265    H    GLN  34           HN       GLN  34  -1.179   0.051  11.834
  266    HA   GLN  34           HA       GLN  34   1.310  -0.429  13.310
  267    HB2  GLN  34           2HB      GLN  34  -0.895  -1.781  13.596
  268    HB3  GLN  34           1HB      GLN  34  -0.460  -2.530  12.070
  269    HG2  GLN  34           2HG      GLN  34   0.243  -3.939  13.864
  270    HG3  GLN  34           1HG      GLN  34   1.672  -3.262  13.082
  271   HE21  GLN  34          1HE2      GLN  34   2.956  -1.824  14.198
  272   HE22  GLN  34          2HE2      GLN  34   2.797  -1.545  15.894
  273    H    PHE  35           HN       PHE  35   1.782   0.975  11.120
  274    HA   PHE  35           HA       PHE  35   1.723  -0.102   8.595
  275    HB2  PHE  35           2HB      PHE  35   3.722   1.836   9.766
  276    HB3  PHE  35           1HB      PHE  35   3.523   1.526   8.045
  277    HD1  PHE  35           2HD      PHE  35   1.247   2.002   7.011
  278    HD2  PHE  35           1HD      PHE  35   2.414   3.428  10.848
  279    HE1  PHE  35           2HE      PHE  35  -0.509   3.719   6.902
  280    HE2  PHE  35           1HE      PHE  35   0.664   5.154  10.741
  281    HZ   PHE  35           HZ       PHE  35  -0.801   5.301   8.765
  282    H    ASP  36           HN       ASP  36   4.391  -0.331  10.942
  283    HA   ASP  36           HA       ASP  36   6.274  -1.414   9.162
  284    HB2  ASP  36           2HB      ASP  36   6.658  -0.456  11.504
  285    HB3  ASP  36           1HB      ASP  36   6.204  -2.046  12.104
  286    H    ALA  37           HN       ALA  37   3.907  -2.941  11.238
  287    HA   ALA  37           HA       ALA  37   4.782  -5.622  10.745
  288    HB1  ALA  37           1HB      ALA  37   3.624  -5.064  12.809
  289    HB2  ALA  37           2HB      ALA  37   2.729  -6.286  11.907
  290    HB3  ALA  37           3HB      ALA  37   2.183  -4.608  11.897
  291    H    ALA  38           HN       ALA  38   2.610  -3.393   9.242
  292    HA   ALA  38           HA       ALA  38   1.023  -5.252   7.812
  293    HB1  ALA  38           1HB      ALA  38   0.322  -2.943   8.207
  294    HB2  ALA  38           2HB      ALA  38   0.301  -3.347   6.492
  295    HB3  ALA  38           3HB      ALA  38   1.614  -2.372   7.152
  296    H    LEU  39           HN       LEU  39   4.080  -3.649   7.111
  297    HA   LEU  39           HA       LEU  39   4.137  -3.973   4.350
  298    HB2  LEU  39           2HB      LEU  39   6.293  -3.706   6.402
  299    HB3  LEU  39           1HB      LEU  39   6.706  -3.992   4.725
  300    HG   LEU  39           HG       LEU  39   5.073  -1.661   5.729
  301   HD11  LEU  39          1HD1      LEU  39   7.040  -0.319   5.202
  302   HD12  LEU  39          2HD1      LEU  39   7.931  -1.782   4.779
  303   HD13  LEU  39          3HD1      LEU  39   7.399  -1.522   6.442
  304   HD21  LEU  39          3HD2      LEU  39   5.397  -0.793   3.450
  305   HD22  LEU  39          1HD2      LEU  39   4.469  -2.293   3.467
  306   HD23  LEU  39          2HD2      LEU  39   6.168  -2.313   2.995
  307    HA   PRO  40           HA       PRO  40   6.504  -8.164   4.772
  308    HB2  PRO  40           2HB      PRO  40   5.837  -9.149   7.458
  309    HB3  PRO  40           1HB      PRO  40   7.409  -9.064   6.661
  310    HG2  PRO  40           2HG      PRO  40   6.772  -7.452   8.716
  311    HG3  PRO  40           1HG      PRO  40   7.808  -6.923   7.385
  312    HD2  PRO  40           2HD      PRO  40   4.918  -6.340   7.866
  313    HD3  PRO  40           1HD      PRO  40   6.206  -5.261   7.288
  314    H    HIS  41           HN       HIS  41   3.648  -7.779   6.746
  315    HA   HIS  41           HA       HIS  41   2.422 -10.254   6.175
  316    HB2  HIS  41           2HB      HIS  41   1.856  -8.561   8.017
  317    HB3  HIS  41           1HB      HIS  41   0.935  -7.702   6.790
  318    HD1  HIS  41           1HD      HIS  41   0.662 -10.338   9.252
  319    HD2  HIS  41           2HD      HIS  41  -1.210  -9.386   5.658
  320    HE1  HIS  41           1HE      HIS  41  -1.498 -11.636   9.242
  321    HE2  HIS  41           2HE      HIS  41  -2.580 -11.094   7.029
  322    H    LEU  42           HN       LEU  42   2.262  -7.099   4.594
  323    HA   LEU  42           HA       LEU  42   0.283  -7.847   2.687
  324    HB2  LEU  42           2HB      LEU  42   0.809  -5.508   3.360
  325    HB3  LEU  42           1HB      LEU  42   2.340  -5.642   2.517
  326    HG   LEU  42           HG       LEU  42   1.142  -5.957   0.390
  327   HD11  LEU  42          1HD1      LEU  42  -1.328  -5.520   2.064
  328   HD12  LEU  42          2HD1      LEU  42  -0.884  -6.995   1.207
  329   HD13  LEU  42          3HD1      LEU  42  -1.283  -5.536   0.301
  330   HD21  LEU  42          3HD2      LEU  42   0.299  -3.508   1.933
  331   HD22  LEU  42          1HD2      LEU  42   0.290  -3.675   0.176
  332   HD23  LEU  42          2HD2      LEU  42   1.817  -3.720   1.058
  333    H    ARG  43           HN       ARG  43   3.805  -7.881   2.741
  334    HA   ARG  43           HA       ARG  43   4.280  -8.469   0.056
  335    HB2  ARG  43           2HB      ARG  43   5.807  -9.124   2.568
  336    HB3  ARG  43           1HB      ARG  43   6.398  -9.526   0.972
  337    HG2  ARG  43           2HG      ARG  43   6.388  -7.167   0.355
  338    HG3  ARG  43           1HG      ARG  43   5.776  -6.755   1.958
  339    HD2  ARG  43           2HD      ARG  43   7.791  -7.682   2.975
  340    HD3  ARG  43           1HD      ARG  43   8.398  -8.134   1.383
  341    HE   ARG  43           HE       ARG  43   7.846  -5.311   1.975
  342   HH11  ARG  43          1HH1      ARG  43  10.163  -7.853   1.295
  343   HH12  ARG  43          2HH1      ARG  43  11.446  -6.744   0.901
  344   HH21  ARG  43          1HH2      ARG  43   9.528  -3.861   1.455
  345   HH22  ARG  43          2HH2      ARG  43  11.074  -4.485   0.950
  346    H    ALA  44           HN       ALA  44   3.375 -10.507   2.755
  347    HA   ALA  44           HA       ALA  44   3.798 -13.021   1.598
  348    HB1  ALA  44           1HB      ALA  44   3.303 -12.714   3.970
  349    HB2  ALA  44           2HB      ALA  44   2.178 -13.854   3.229
  350    HB3  ALA  44           3HB      ALA  44   1.665 -12.200   3.567
  351    H    ALA  45           HN       ALA  45   1.048 -10.812   1.389
  352    HA   ALA  45           HA       ALA  45  -0.611 -12.552  -0.133
  353    HB1  ALA  45           1HB      ALA  45  -1.534 -10.681   1.131
  354    HB2  ALA  45           2HB      ALA  45  -1.951 -10.552  -0.577
  355    HB3  ALA  45           3HB      ALA  45  -0.671  -9.543   0.096
  356    H    LEU  46           HN       LEU  46   1.649  -9.965  -0.945
  357    HA   LEU  46           HA       LEU  46   1.229  -9.945  -3.732
  358    HB2  LEU  46           2HB      LEU  46   3.638  -9.184  -2.082
  359    HB3  LEU  46           1HB      LEU  46   3.516  -8.898  -3.808
  360    HG   LEU  46           HG       LEU  46   1.639  -7.738  -1.747
  361   HD11  LEU  46          1HD1      LEU  46   3.924  -6.438  -3.224
  362   HD12  LEU  46          2HD1      LEU  46   3.906  -6.848  -1.508
  363   HD13  LEU  46          3HD1      LEU  46   2.795  -5.632  -2.138
  364   HD21  LEU  46          3HD2      LEU  46   1.987  -7.155  -4.687
  365   HD22  LEU  46          1HD2      LEU  46   0.889  -6.322  -3.585
  366   HD23  LEU  46          2HD2      LEU  46   0.639  -8.028  -3.961
  367    H    ASP  47           HN       ASP  47   3.041 -12.044  -1.665
  368    HA   ASP  47           HA       ASP  47   4.830 -13.156  -3.528
  369    HB2  ASP  47           2HB      ASP  47   4.774 -13.408  -0.973
  370    HB3  ASP  47           1HB      ASP  47   3.587 -14.676  -1.241
  371    H    PHE  48           HN       PHE  48   1.498 -13.887  -2.713
  372    HA   PHE  48           HA       PHE  48   1.356 -16.179  -4.461
  373    HB2  PHE  48           2HB      PHE  48  -0.770 -14.642  -2.958
  374    HB3  PHE  48           1HB      PHE  48  -1.114 -16.044  -3.964
  375    HD1  PHE  48           2HD      PHE  48  -0.165 -18.264  -3.332
  376    HD2  PHE  48           1HD      PHE  48   0.047 -14.878  -0.764
  377    HE1  PHE  48           2HE      PHE  48   0.277 -19.748  -1.421
  378    HE2  PHE  48           1HE      PHE  48   0.490 -16.357   1.152
  379    HZ   PHE  48           HZ       PHE  48   0.604 -18.796   0.826
  380    H    ASP  49           HN       ASP  49   0.263 -12.811  -4.538
  381    HA   ASP  49           HA       ASP  49  -0.030 -13.031  -7.438
  382    HB2  ASP  49           2HB      ASP  49  -2.282 -13.388  -6.274
  383    HB3  ASP  49           1HB      ASP  49  -2.187 -11.691  -5.813
  384    HA   PRO  50           HA       PRO  50   2.281  -9.250  -6.279
  385    HB2  PRO  50           2HB      PRO  50   3.735  -9.179  -8.578
  386    HB3  PRO  50           1HB      PRO  50   4.193 -10.152  -7.175
  387    HG2  PRO  50           2HG      PRO  50   2.789 -10.986  -9.686
  388    HG3  PRO  50           1HG      PRO  50   4.081 -11.814  -8.799
  389    HD2  PRO  50           2HD      PRO  50   1.490 -12.540  -8.592
  390    HD3  PRO  50           1HD      PRO  50   2.624 -12.683  -7.234
  391    H    THR  51           HN       THR  51   0.025 -10.032  -8.651
  392    HA   THR  51           HA       THR  51   0.095  -7.406  -9.924
  393    HB   THR  51           HB       THR  51  -1.797  -8.501 -11.324
  394    HG1  THR  51           1HG      THR  51  -1.832 -10.343  -9.700
  395   HG21  THR  51          3HG2      THR  51   1.047  -9.513 -11.465
  396   HG22  THR  51          1HG2      THR  51   0.428  -8.036 -12.205
  397   HG23  THR  51          2HG2      THR  51  -0.134  -9.610 -12.770
  398    H    TYR  52           HN       TYR  52  -1.039  -8.345  -7.129
  399    HA   TYR  52           HA       TYR  52  -3.794  -7.622  -7.276
  400    HB2  TYR  52           2HB      TYR  52  -2.551  -9.020  -5.462
  401    HB3  TYR  52           1HB      TYR  52  -2.171  -7.454  -4.752
  402    HD1  TYR  52           1HD      TYR  52  -3.929  -6.080  -3.759
  403    HD2  TYR  52           2HD      TYR  52  -4.823  -9.861  -5.485
  404    HE1  TYR  52           1HE      TYR  52  -6.132  -6.048  -2.672
  405    HE2  TYR  52           2HE      TYR  52  -7.026  -9.846  -4.397
  406    HH   TYR  52           HH       TYR  52  -8.319  -7.046  -2.917
  407    H    SER  53           HN       SER  53  -4.123  -5.684  -8.133
  408    HA   SER  53           HA       SER  53  -2.515  -3.465  -8.131
  409    HB2  SER  53           2HB      SER  53  -5.529  -3.392  -8.290
  410    HB3  SER  53           1HB      SER  53  -4.381  -2.306  -9.072
  411    HG   SER  53           HG       SER  53  -3.617  -4.451 -10.057
  412    H    VAL  54           HN       VAL  54  -5.148  -4.226  -5.868
  413    HA   VAL  54           HA       VAL  54  -5.259  -1.714  -4.604
  414    HB   VAL  54           HB       VAL  54  -5.908  -4.423  -3.425
  415   HG11  VAL  54          1HG1      VAL  54  -7.343  -3.174  -1.869
  416   HG12  VAL  54          2HG1      VAL  54  -6.732  -1.660  -2.535
  417   HG13  VAL  54          3HG1      VAL  54  -5.639  -2.756  -1.688
  418   HG21  VAL  54          3HG2      VAL  54  -7.159  -3.989  -5.457
  419   HG22  VAL  54          1HG2      VAL  54  -7.669  -2.421  -4.834
  420   HG23  VAL  54          2HG2      VAL  54  -8.221  -3.903  -4.054
  421    H    ALA  55           HN       ALA  55  -3.196  -4.501  -4.098
  422    HA   ALA  55           HA       ALA  55  -2.201  -3.714  -1.558
  423    HB1  ALA  55           1HB      ALA  55  -0.946  -5.571  -3.568
  424    HB2  ALA  55           2HB      ALA  55  -2.130  -6.036  -2.347
  425    HB3  ALA  55           3HB      ALA  55  -0.541  -5.445  -1.859
  426    H    TRP  56           HN       TRP  56  -1.222  -3.038  -4.861
  427    HA   TRP  56           HA       TRP  56   1.365  -2.070  -4.373
  428    HB2  TRP  56           2HB      TRP  56  -0.545  -0.941  -6.423
  429    HB3  TRP  56           1HB      TRP  56   1.209  -0.916  -6.477
  430    HD1  TRP  56           1HD      TRP  56   1.300  -4.202  -5.691
  431    HE1  TRP  56           1HE      TRP  56   0.896  -5.829  -7.636
  432    HE3  TRP  56           3HE      TRP  56  -1.018  -1.008  -8.938
  433    HZ2  TRP  56           2HZ      TRP  56  -0.260  -5.769 -10.189
  434    HZ3  TRP  56           3HZ      TRP  56  -1.743  -1.885 -11.116
  435    HH2  TRP  56           2HH      TRP  56  -1.369  -4.216 -11.725
  436    H    LYS  57           HN       LYS  57  -1.770  -0.493  -4.295
  437    HA   LYS  57           HA       LYS  57  -0.870   2.144  -3.902
  438    HB2  LYS  57           2HB      LYS  57  -3.079   1.729  -4.716
  439    HB3  LYS  57           1HB      LYS  57  -3.488   0.770  -3.311
  440    HG2  LYS  57           2HG      LYS  57  -3.213   2.866  -1.941
  441    HG3  LYS  57           1HG      LYS  57  -3.100   3.739  -3.471
  442    HD2  LYS  57           2HD      LYS  57  -5.419   2.023  -2.582
  443    HD3  LYS  57           1HD      LYS  57  -5.380   3.787  -2.578
  444    HE2  LYS  57           2HE      LYS  57  -5.157   3.816  -4.991
  445    HE3  LYS  57           1HE      LYS  57  -5.075   2.055  -5.028
  446    HZ1  LYS  57           3HZ      LYS  57  -7.406   3.652  -4.111
  447    HZ2  LYS  57           1HZ      LYS  57  -7.325   1.960  -4.166
  448    HZ3  LYS  57           2HZ      LYS  57  -7.282   2.857  -5.605
  449    H    TRP  58           HN       TRP  58  -1.899  -0.373  -1.608
  450    HA   TRP  58           HA       TRP  58  -1.561   1.236   0.704
  451    HB2  TRP  58           2HB      TRP  58  -1.789  -1.723   0.260
  452    HB3  TRP  58           1HB      TRP  58  -1.443  -1.074   1.858
  453    HD1  TRP  58           1HD      TRP  58  -4.273  -1.626  -0.579
  454    HE1  TRP  58           1HE      TRP  58  -6.490  -0.842   0.484
  455    HE3  TRP  58           3HE      TRP  58  -2.399   0.780   3.524
  456    HZ2  TRP  58           2HZ      TRP  58  -7.322   0.602   2.757
  457    HZ3  TRP  58           3HZ      TRP  58  -3.975   1.836   5.093
  458    HH2  TRP  58           2HH      TRP  58  -6.385   1.748   4.714
  459    H    LEU  59           HN       LEU  59   0.577  -0.901  -1.084
  460    HA   LEU  59           HA       LEU  59   2.644  -1.143   0.786
  461    HB2  LEU  59           2HB      LEU  59   2.239  -2.295  -1.519
  462    HB3  LEU  59           1HB      LEU  59   3.143  -0.946  -2.169
  463    HG   LEU  59           HG       LEU  59   4.493  -3.002  -1.831
  464   HD11  LEU  59          1HD1      LEU  59   5.337  -0.637  -0.169
  465   HD12  LEU  59          2HD1      LEU  59   5.602  -0.847  -1.899
  466   HD13  LEU  59          3HD1      LEU  59   6.399  -1.920  -0.750
  467   HD21  LEU  59          3HD2      LEU  59   4.044  -2.452   1.096
  468   HD22  LEU  59          1HD2      LEU  59   5.131  -3.664   0.422
  469   HD23  LEU  59          2HD2      LEU  59   3.390  -3.815   0.189
  470    H    GLY  60           HN       GLY  60   2.234   1.208  -1.863
  471    HA2  GLY  60           2HA      GLY  60   4.568   2.698  -1.360
  472    HA3  GLY  60           1HA      GLY  60   3.149   3.289  -2.213
  473    H    LYS  61           HN       LYS  61   1.274   3.076  -0.113
  474    HA   LYS  61           HA       LYS  61   1.607   5.522   1.209
  475    HB2  LYS  61           2HB      LYS  61  -0.144   3.160   1.909
  476    HB3  LYS  61           1HB      LYS  61  -0.265   4.735   2.677
  477    HG2  LYS  61           2HG      LYS  61  -0.977   5.758   0.653
  478    HG3  LYS  61           1HG      LYS  61  -0.611   4.302  -0.277
  479    HD2  LYS  61           2HD      LYS  61  -3.003   4.463   0.107
  480    HD3  LYS  61           1HD      LYS  61  -2.339   3.082   0.978
  481    HE2  LYS  61           2HE      LYS  61  -3.812   4.102   2.491
  482    HE3  LYS  61           1HE      LYS  61  -2.207   4.625   3.000
  483    HZ1  LYS  61           3HZ      LYS  61  -4.140   6.201   1.388
  484    HZ2  LYS  61           1HZ      LYS  61  -2.575   6.717   1.800
  485    HZ3  LYS  61           2HZ      LYS  61  -3.737   6.471   3.010
  486    H    THR  62           HN       THR  62   2.219   2.218   2.272
  487    HA   THR  62           HA       THR  62   2.747   2.886   4.977
  488    HB   THR  62           HB       THR  62   3.673   0.415   3.507
  489    HG1  THR  62           1HG      THR  62   1.473   0.500   3.192
  490   HG21  THR  62          3HG2      THR  62   3.535  -0.631   5.700
  491   HG22  THR  62          1HG2      THR  62   2.975   0.884   6.408
  492   HG23  THR  62          2HG2      THR  62   4.612   0.765   5.760
  493    H    LEU  63           HN       LEU  63   4.803   2.478   2.122
  494    HA   LEU  63           HA       LEU  63   7.284   2.542   3.462
  495    HB2  LEU  63           2HB      LEU  63   6.564   3.384   0.657
  496    HB3  LEU  63           1HB      LEU  63   8.207   3.266   1.255
  497    HG   LEU  63           HG       LEU  63   6.241   1.014   0.880
  498   HD11  LEU  63          1HD1      LEU  63   7.920   0.192  -0.692
  499   HD12  LEU  63          2HD1      LEU  63   8.907   1.621  -0.385
  500   HD13  LEU  63          3HD1      LEU  63   7.328   1.789  -1.152
  501   HD21  LEU  63          3HD2      LEU  63   7.513   0.674   2.943
  502   HD22  LEU  63          1HD2      LEU  63   9.017   0.914   2.056
  503   HD23  LEU  63          2HD2      LEU  63   7.991  -0.473   1.693
  504    H    GLN  64           HN       GLN  64   5.135   5.075   2.340
  505    HA   GLN  64           HA       GLN  64   6.915   7.242   2.687
  506    HB2  GLN  64           2HB      GLN  64   4.594   7.129   1.510
  507    HB3  GLN  64           1HB      GLN  64   3.942   7.452   3.108
  508    HG2  GLN  64           2HG      GLN  64   5.980   9.217   1.782
  509    HG3  GLN  64           1HG      GLN  64   4.242   9.438   1.594
  510   HE21  GLN  64          1HE2      GLN  64   6.318  11.147   2.791
  511   HE22  GLN  64          2HE2      GLN  64   5.773  11.495   4.393
  512    H    GLY  65           HN       GLY  65   4.565   5.688   4.826
  513    HA2  GLY  65           2HA      GLY  65   4.935   7.421   7.034
  514    HA3  GLY  65           1HA      GLY  65   4.238   5.811   7.094
  515    H    GLN  66           HN       GLN  66   6.831   4.805   5.820
  516    HA   GLN  66           HA       GLN  66   8.184   4.224   8.271
  517    HB2  GLN  66           2HB      GLN  66   8.813   3.602   5.391
  518    HB3  GLN  66           1HB      GLN  66   9.872   3.127   6.712
  519    HG2  GLN  66           2HG      GLN  66   6.980   2.334   6.505
  520    HG3  GLN  66           1HG      GLN  66   8.319   1.350   5.924
  521   HE21  GLN  66          1HE2      GLN  66   7.868  -0.327   7.325
  522   HE22  GLN  66          2HE2      GLN  66   8.173  -0.238   9.026
  523    H    GLY  67           HN       GLY  67   8.502   6.622   5.807
  524    HA2  GLY  67           2HA      GLY  67   9.617   8.671   6.421
  525    HA3  GLY  67           1HA      GLY  67  10.805   7.712   7.290
  526    H    ASP  68           HN       ASP  68  10.357   6.015   4.556
  527    HA   ASP  68           HA       ASP  68  12.816   7.059   3.453
  528    HB2  ASP  68           2HB      ASP  68  12.181   4.553   3.665
  529    HB3  ASP  68           1HB      ASP  68  11.225   4.829   2.210
  530    H    ARG  69           HN       ARG  69  12.269   9.006   2.675
  531    HA   ARG  69           HA       ARG  69  10.067   9.732   1.154
  532    HB2  ARG  69           2HB      ARG  69  11.430  11.370   2.225
  533    HB3  ARG  69           1HB      ARG  69  12.858  10.853   1.348
  534    HG2  ARG  69           2HG      ARG  69  12.045  11.798  -0.679
  535    HG3  ARG  69           1HG      ARG  69  10.465  12.121   0.045
  536    HD2  ARG  69           2HD      ARG  69  11.273  13.842   1.366
  537    HD3  ARG  69           1HD      ARG  69  12.932  13.258   1.290
  538    HE   ARG  69           HE       ARG  69  12.207  14.006  -1.294
  539   HH11  ARG  69          1HH1      ARG  69  12.513  15.542   1.847
  540   HH12  ARG  69          2HH1      ARG  69  13.130  17.037   1.206
  541   HH21  ARG  69          1HH2      ARG  69  13.008  15.960  -2.152
  542   HH22  ARG  69          2HH2      ARG  69  13.391  17.277  -1.095
  543    H    ALA  70           HN       ALA  70  13.270   8.635   0.043
  544    HA   ALA  70           HA       ALA  70  12.697   8.936  -2.729
  545    HB1  ALA  70           1HB      ALA  70  14.986   8.855  -1.815
  546    HB2  ALA  70           2HB      ALA  70  14.727   7.705  -3.123
  547    HB3  ALA  70           3HB      ALA  70  14.756   7.144  -1.452
  548    H    GLY  71           HN       GLY  71  12.695   6.119  -0.574
  549    HA2  GLY  71           2HA      GLY  71  12.071   4.194  -2.513
  550    HA3  GLY  71           1HA      GLY  71  11.757   4.043  -0.792
  551    H    ALA  72           HN       ALA  72   9.930   6.162  -0.493
  552    HA   ALA  72           HA       ALA  72   7.521   4.902  -1.165
  553    HB1  ALA  72           1HB      ALA  72   7.953   7.798  -0.449
  554    HB2  ALA  72           2HB      ALA  72   7.754   6.473   0.698
  555    HB3  ALA  72           3HB      ALA  72   6.426   6.919  -0.370
  556    H    ARG  73           HN       ARG  73   9.239   7.586  -2.705
  557    HA   ARG  73           HA       ARG  73   7.228   8.182  -4.616
  558    HB2  ARG  73           2HB      ARG  73   9.216   9.640  -3.944
  559    HB3  ARG  73           1HB      ARG  73  10.183   8.632  -5.011
  560    HG2  ARG  73           2HG      ARG  73   8.221   9.256  -6.704
  561    HG3  ARG  73           1HG      ARG  73   8.148  10.673  -5.655
  562    HD2  ARG  73           2HD      ARG  73   9.641  11.188  -7.438
  563    HD3  ARG  73           1HD      ARG  73  10.622  10.933  -5.993
  564    HE   ARG  73           HE       ARG  73  10.236   8.631  -7.740
  565   HH11  ARG  73          1HH1      ARG  73  12.325  11.316  -6.851
  566   HH12  ARG  73          2HH1      ARG  73  13.761  10.533  -7.452
  567   HH21  ARG  73          1HH2      ARG  73  12.075   7.648  -8.527
  568   HH22  ARG  73          2HH2      ARG  73  13.625   8.434  -8.390
  569    H    GLN  74           HN       GLN  74  10.198   6.244  -4.758
  570    HA   GLN  74           HA       GLN  74   9.933   5.480  -7.468
  571    HB2  GLN  74           2HB      GLN  74  11.403   4.132  -5.198
  572    HB3  GLN  74           1HB      GLN  74  11.565   3.687  -6.891
  573    HG2  GLN  74           2HG      GLN  74  12.387   5.945  -7.391
  574    HG3  GLN  74           1HG      GLN  74  12.263   6.350  -5.680
  575   HE21  GLN  74          1HE2      GLN  74  13.305   3.211  -6.821
  576   HE22  GLN  74          2HE2      GLN  74  14.956   3.379  -6.335
  577    H    ALA  75           HN       ALA  75   8.699   4.089  -4.489
  578    HA   ALA  75           HA       ALA  75   7.912   1.576  -5.417
  579    HB1  ALA  75           1HB      ALA  75   6.345   1.541  -3.551
  580    HB2  ALA  75           2HB      ALA  75   6.535   3.283  -3.345
  581    HB3  ALA  75           3HB      ALA  75   7.900   2.208  -3.051
  582    H    TRP  76           HN       TRP  76   6.140   4.653  -5.412
  583    HA   TRP  76           HA       TRP  76   3.817   3.539  -6.607
  584    HB2  TRP  76           2HB      TRP  76   4.769   6.360  -6.197
  585    HB3  TRP  76           1HB      TRP  76   3.292   6.004  -7.087
  586    HD1  TRP  76           1HD      TRP  76   2.095   3.718  -5.276
  587    HE1  TRP  76           1HE      TRP  76   1.191   4.273  -2.934
  588    HE3  TRP  76           3HE      TRP  76   4.607   8.099  -4.453
  589    HZ2  TRP  76           2HZ      TRP  76   1.499   6.291  -0.996
  590    HZ3  TRP  76           3HZ      TRP  76   4.234   9.281  -2.327
  591    HH2  TRP  76           2HH      TRP  76   2.714   8.395  -0.634
  592    H    GLU  77           HN       GLU  77   6.696   5.133  -7.883
  593    HA   GLU  77           HA       GLU  77   5.881   5.323 -10.566
  594    HB2  GLU  77           2HB      GLU  77   8.638   4.839  -9.425
  595    HB3  GLU  77           1HB      GLU  77   8.316   5.239 -11.105
  596    HG2  GLU  77           2HG      GLU  77   7.358   7.378 -10.403
  597    HG3  GLU  77           1HG      GLU  77   7.716   6.974  -8.723
  598    H    SER  78           HN       SER  78   7.349   2.690  -8.737
  599    HA   SER  78           HA       SER  78   7.613   0.916 -10.951
  600    HB2  SER  78           2HB      SER  78   8.910   0.762  -8.803
  601    HB3  SER  78           1HB      SER  78   7.435   0.210  -8.012
  602    HG   SER  78           HG       SER  78   7.612  -1.356 -10.028
  603    H    GLY  79           HN       GLY  79   5.181   1.353  -8.405
  604    HA2  GLY  79           2HA      GLY  79   3.535  -0.823  -9.115
  605    HA3  GLY  79           1HA      GLY  79   3.021   0.597  -8.219
  606    H    LEU  80           HN       LEU  80   3.755   2.438 -10.372
  607    HA   LEU  80           HA       LEU  80   1.330   2.514 -11.785
  608    HB2  LEU  80           2HB      LEU  80   3.305   4.279 -11.371
  609    HB3  LEU  80           1HB      LEU  80   3.722   3.778 -12.994
  610    HG   LEU  80           HG       LEU  80   1.460   4.409 -13.764
  611   HD11  LEU  80          1HD1      LEU  80   1.135   5.444 -10.953
  612   HD12  LEU  80          2HD1      LEU  80   0.247   4.109 -11.686
  613   HD13  LEU  80          3HD1      LEU  80   0.031   5.750 -12.293
  614   HD21  LEU  80          3HD2      LEU  80   1.771   6.831 -13.619
  615   HD22  LEU  80          1HD2      LEU  80   3.285   6.002 -13.971
  616   HD23  LEU  80          2HD2      LEU  80   2.967   6.601 -12.343
  617    H    ALA  81           HN       ALA  81   4.566   1.481 -12.764
  618    HA   ALA  81           HA       ALA  81   3.883   0.708 -15.403
  619    HB1  ALA  81           1HB      ALA  81   6.003  -0.499 -15.411
  620    HB2  ALA  81           2HB      ALA  81   6.121  -0.329 -13.660
  621    HB3  ALA  81           3HB      ALA  81   6.195   1.099 -14.694
  622    H    ALA  82           HN       ALA  82   3.700  -0.976 -12.331
  623    HA   ALA  82           HA       ALA  82   3.065  -3.530 -13.376
  624    HB1  ALA  82           1HB      ALA  82   2.240  -2.277 -10.752
  625    HB2  ALA  82           2HB      ALA  82   3.704  -3.219 -11.039
  626    HB3  ALA  82           3HB      ALA  82   2.122  -3.990 -11.154
  627    H    ALA  83           HN       ALA  83   1.094  -0.754 -12.397
  628    HA   ALA  83           HA       ALA  83  -1.414  -1.854 -13.070
  629    HB1  ALA  83           1HB      ALA  83  -1.099   0.148 -11.648
  630    HB2  ALA  83           2HB      ALA  83  -2.259   0.402 -12.950
  631    HB3  ALA  83           3HB      ALA  83  -0.627   1.059 -13.083
  632    H    GLN  84           HN       GLN  84   0.961  -0.022 -14.940
  633    HA   GLN  84           HA       GLN  84  -0.471   0.253 -17.325
  634    HB2  GLN  84           2HB      GLN  84   2.477  -0.068 -16.783
  635    HB3  GLN  84           1HB      GLN  84   1.836   0.255 -18.380
  636    HG2  GLN  84           2HG      GLN  84   1.409   2.023 -15.991
  637    HG3  GLN  84           1HG      GLN  84   2.674   2.255 -17.196
  638   HE21  GLN  84          1HE2      GLN  84  -0.729   2.407 -16.549
  639   HE22  GLN  84          2HE2      GLN  84  -1.158   3.292 -17.966
  640    H    SER  85           HN       SER  85   1.798  -2.293 -16.315
  641    HA   SER  85           HA       SER  85   1.457  -3.982 -18.524
  642    HB2  SER  85           2HB      SER  85   2.101  -4.706 -15.657
  643    HB3  SER  85           1HB      SER  85   2.301  -5.783 -17.040
  644    HG   SER  85           HG       SER  85   3.640  -3.320 -16.556
  645    H    ARG  86           HN       ARG  86  -0.432  -3.698 -15.571
  646    HA   ARG  86           HA       ARG  86  -2.152  -5.906 -16.114
  647    HB2  ARG  86           2HB      ARG  86  -2.173  -3.584 -14.222
  648    HB3  ARG  86           1HB      ARG  86  -3.557  -4.663 -14.336
  649    HG2  ARG  86           2HG      ARG  86  -0.831  -5.782 -13.918
  650    HG3  ARG  86           1HG      ARG  86  -1.733  -5.094 -12.566
  651    HD2  ARG  86           2HD      ARG  86  -2.695  -7.278 -14.401
  652    HD3  ARG  86           1HD      ARG  86  -2.100  -7.492 -12.757
  653    HE   ARG  86           HE       ARG  86  -4.319  -5.641 -13.023
  654   HH11  ARG  86          1HH1      ARG  86  -3.379  -8.972 -12.462
  655   HH12  ARG  86          2HH1      ARG  86  -4.862  -9.394 -11.666
  656   HH21  ARG  86          1HH2      ARG  86  -6.258  -6.178 -11.977
  657   HH22  ARG  86          2HH2      ARG  86  -6.516  -7.800 -11.400
  658    H    GLY  87           HN       GLY  87  -1.984  -2.741 -17.354
  659    HA2  GLY  87           2HA      GLY  87  -3.388  -1.530 -18.714
  660    HA3  GLY  87           1HA      GLY  87  -4.386  -2.971 -18.858
  661    H    ASP  88           HN       ASP  88  -3.864  -2.087 -15.643
  662    HA   ASP  88           HA       ASP  88  -6.647  -1.573 -15.261
  663    HB2  ASP  88           2HB      ASP  88  -4.296  -1.922 -13.445
  664    HB3  ASP  88           1HB      ASP  88  -5.745  -1.150 -12.812
  665    H    GLN  89           HN       GLN  89  -7.005   0.269 -16.340
  666    HA   GLN  89           HA       GLN  89  -5.576   2.633 -16.281
  667    HB2  GLN  89           2HB      GLN  89  -8.535   2.231 -16.681
  668    HB3  GLN  89           1HB      GLN  89  -7.639   3.662 -17.132
  669    HG2  GLN  89           2HG      GLN  89  -7.292   0.910 -18.276
  670    HG3  GLN  89           1HG      GLN  89  -8.072   2.279 -19.062
  671   HE21  GLN  89          1HE2      GLN  89  -5.088   0.802 -18.180
  672   HE22  GLN  89          2HE2      GLN  89  -4.055   1.864 -19.073
  673    H    GLN  90           HN       GLN  90  -8.283   1.646 -14.229
  674    HA   GLN  90           HA       GLN  90  -8.689   4.151 -13.017
  675    HB2  GLN  90           2HB      GLN  90 -10.350   2.331 -12.967
  676    HB3  GLN  90           1HB      GLN  90  -9.299   1.407 -11.905
  677    HG2  GLN  90           2HG      GLN  90  -9.529   3.042 -10.164
  678    HG3  GLN  90           1HG      GLN  90 -10.447   4.103 -11.231
  679   HE21  GLN  90          1HE2      GLN  90 -12.231   4.137  -9.898
  680   HE22  GLN  90          2HE2      GLN  90 -13.284   2.769  -9.712
  681    H    VAL  91           HN       VAL  91  -6.644   1.422 -12.163
  682    HA   VAL  91           HA       VAL  91  -5.913   2.405  -9.592
  683    HB   VAL  91           HB       VAL  91  -4.499   0.396 -11.370
  684   HG11  VAL  91          1HG1      VAL  91  -2.958   1.371  -9.730
  685   HG12  VAL  91          2HG1      VAL  91  -3.318  -0.313  -9.351
  686   HG13  VAL  91          3HG1      VAL  91  -4.089   0.982  -8.434
  687   HG21  VAL  91          3HG2      VAL  91  -6.322   0.001  -8.995
  688   HG22  VAL  91          1HG2      VAL  91  -5.547  -1.270  -9.940
  689   HG23  VAL  91          2HG2      VAL  91  -6.773  -0.243 -10.685
  690    H    VAL  92           HN       VAL  92  -4.522   2.708 -12.821
  691    HA   VAL  92           HA       VAL  92  -2.130   4.004 -12.153
  692    HB   VAL  92           HB       VAL  92  -3.868   4.480 -14.584
  693   HG11  VAL  92          1HG1      VAL  92  -1.805   5.247 -15.670
  694   HG12  VAL  92          2HG1      VAL  92  -0.944   5.081 -14.140
  695   HG13  VAL  92          3HG1      VAL  92  -2.242   6.264 -14.300
  696   HG21  VAL  92          3HG2      VAL  92  -2.398   2.876 -15.708
  697   HG22  VAL  92          1HG2      VAL  92  -3.265   2.138 -14.362
  698   HG23  VAL  92          2HG2      VAL  92  -1.566   2.574 -14.184
  699    H    LYS  93           HN       LYS  93  -5.358   5.315 -12.796
  700    HA   LYS  93           HA       LYS  93  -4.671   8.030 -12.509
  701    HB2  LYS  93           2HB      LYS  93  -7.323   6.618 -12.192
  702    HB3  LYS  93           1HB      LYS  93  -7.136   8.368 -12.184
  703    HG2  LYS  93           2HG      LYS  93  -6.201   8.272 -14.446
  704    HG3  LYS  93           1HG      LYS  93  -6.434   6.523 -14.455
  705    HD2  LYS  93           2HD      LYS  93  -8.818   6.786 -14.276
  706    HD3  LYS  93           1HD      LYS  93  -8.650   8.532 -14.076
  707    HE2  LYS  93           2HE      LYS  93  -7.687   8.679 -16.331
  708    HE3  LYS  93           1HE      LYS  93  -7.900   6.938 -16.522
  709    HZ1  LYS  93           3HZ      LYS  93 -10.245   7.180 -16.427
  710    HZ2  LYS  93           1HZ      LYS  93  -9.672   8.319 -17.548
  711    HZ3  LYS  93           2HZ      LYS  93 -10.137   8.817 -15.991
  712    H    GLU  94           HN       GLU  94  -5.769   5.622 -10.153
  713    HA   GLU  94           HA       GLU  94  -6.144   7.459  -8.028
  714    HB2  GLU  94           2HB      GLU  94  -5.564   4.497  -7.939
  715    HB3  GLU  94           1HB      GLU  94  -6.133   5.463  -6.595
  716    HG2  GLU  94           2HG      GLU  94  -8.160   5.992  -8.028
  717    HG3  GLU  94           1HG      GLU  94  -7.605   4.693  -9.082
  718    H    LEU  95           HN       LEU  95  -3.494   5.250  -8.859
  719    HA   LEU  95           HA       LEU  95  -1.884   5.996  -6.657
  720    HB2  LEU  95           2HB      LEU  95  -1.373   4.521  -9.208
  721    HB3  LEU  95           1HB      LEU  95  -0.030   4.981  -8.176
  722    HG   LEU  95           HG       LEU  95  -2.364   3.255  -7.304
  723   HD11  LEU  95          1HD1      LEU  95  -0.922   2.131  -8.941
  724   HD12  LEU  95          2HD1      LEU  95  -0.759   1.423  -7.334
  725   HD13  LEU  95          3HD1      LEU  95   0.489   2.506  -7.951
  726   HD21  LEU  95          3HD2      LEU  95  -1.001   2.855  -5.318
  727   HD22  LEU  95          1HD2      LEU  95  -1.404   4.564  -5.489
  728   HD23  LEU  95          2HD2      LEU  95   0.209   3.993  -5.915
  729    H    GLN  96           HN       GLN  96  -2.258   7.266  -9.893
  730    HA   GLN  96           HA       GLN  96   0.070   8.782 -10.102
  731    HB2  GLN  96           2HB      GLN  96  -1.650   8.364 -11.907
  732    HB3  GLN  96           1HB      GLN  96  -2.635   9.611 -11.155
  733    HG2  GLN  96           2HG      GLN  96  -0.755  11.203 -11.481
  734    HG3  GLN  96           1HG      GLN  96   0.091   9.948 -12.383
  735   HE21  GLN  96          1HE2      GLN  96  -0.784  12.566 -13.256
  736   HE22  GLN  96          2HE2      GLN  96  -1.849  12.304 -14.603
  737    H    VAL  97           HN       VAL  97  -2.895   9.415  -8.326
  738    HA   VAL  97           HA       VAL  97  -2.575  12.170  -7.890
  739    HB   VAL  97           HB       VAL  97  -3.822  10.156  -6.011
  740   HG11  VAL  97          1HG1      VAL  97  -5.129  12.076  -5.191
  741   HG12  VAL  97          2HG1      VAL  97  -4.219  13.141  -6.260
  742   HG13  VAL  97          3HG1      VAL  97  -3.400  12.312  -4.937
  743   HG21  VAL  97          3HG2      VAL  97  -5.090  11.771  -8.221
  744   HG22  VAL  97          1HG2      VAL  97  -5.941  10.728  -7.084
  745   HG23  VAL  97          2HG2      VAL  97  -4.811  10.029  -8.244
  746    H    PHE  98           HN       PHE  98  -1.259   9.376  -6.209
  747    HA   PHE  98           HA       PHE  98  -0.240  10.767  -3.970
  748    HB2  PHE  98           2HB      PHE  98   0.583   8.128  -5.193
  749    HB3  PHE  98           1HB      PHE  98   1.171   8.729  -3.647
  750    HD1  PHE  98           2HD      PHE  98  -0.330   8.884  -1.723
  751    HD2  PHE  98           1HD      PHE  98  -1.628   7.238  -5.422
  752    HE1  PHE  98           2HE      PHE  98  -2.272   7.876  -0.591
  753    HE2  PHE  98           1HE      PHE  98  -3.567   6.222  -4.300
  754    HZ   PHE  98           HZ       PHE  98  -3.891   6.539  -1.883
  755    H    LEU  99           HN       LEU  99   1.131   9.948  -7.118
  756    HA   LEU  99           HA       LEU  99   3.784  10.708  -6.620
  757    HB2  LEU  99           2HB      LEU  99   2.145  10.607  -9.136
  758    HB3  LEU  99           1HB      LEU  99   3.781  11.235  -9.158
  759    HG   LEU  99           HG       LEU  99   3.903   8.978  -9.863
  760   HD11  LEU  99          1HD1      LEU  99   5.287   7.929  -8.135
  761   HD12  LEU  99          2HD1      LEU  99   4.736   9.139  -6.975
  762   HD13  LEU  99          3HD1      LEU  99   5.688   9.629  -8.375
  763   HD21  LEU  99          3HD2      LEU  99   2.289   8.275  -7.422
  764   HD22  LEU  99          1HD2      LEU  99   3.049   7.109  -8.506
  765   HD23  LEU  99          2HD2      LEU  99   1.772   8.166  -9.104
  766    H    ARG 100           HN       ARG 100   0.966  12.588  -7.524
  767    HA   ARG 100           HA       ARG 100   2.327  14.963  -8.280
  768    HB2  ARG 100           2HB      ARG 100  -0.450  14.847  -7.114
  769    HB3  ARG 100           1HB      ARG 100   0.192  15.984  -8.284
  770    HG2  ARG 100           2HG      ARG 100   0.346  14.169  -9.912
  771    HG3  ARG 100           1HG      ARG 100  -0.398  13.085  -8.750
  772    HD2  ARG 100           2HD      ARG 100  -2.412  14.387  -8.725
  773    HD3  ARG 100           1HD      ARG 100  -1.675  15.630  -9.734
  774    HE   ARG 100           HE       ARG 100  -1.498  13.735 -11.439
  775   HH11  ARG 100          1HH1      ARG 100  -4.118  14.074  -9.123
  776   HH12  ARG 100          2HH1      ARG 100  -5.255  13.204 -10.106
  777   HH21  ARG 100          1HH2      ARG 100  -3.038  12.671 -12.751
  778   HH22  ARG 100          2HH2      ARG 100  -4.661  12.453 -12.172
  779    H    ARG 101           HN       ARG 101   0.663  13.904  -5.419
  780    HA   ARG 101           HA       ARG 101   1.021  16.282  -3.942
  781    HB2  ARG 101           2HB      ARG 101  -0.730  14.530  -3.533
  782    HB3  ARG 101           1HB      ARG 101   0.527  13.517  -2.836
  783    HG2  ARG 101           2HG      ARG 101   0.870  15.021  -1.042
  784    HG3  ARG 101           1HG      ARG 101  -0.117  16.267  -1.809
  785    HD2  ARG 101           2HD      ARG 101  -2.082  14.784  -1.606
  786    HD3  ARG 101           1HD      ARG 101  -1.078  13.608  -0.758
  787    HE   ARG 101           HE       ARG 101  -0.708  15.526   0.891
  788   HH11  ARG 101          1HH1      ARG 101  -3.633  15.147  -0.994
  789   HH12  ARG 101          2HH1      ARG 101  -4.662  15.860   0.207
  790   HH21  ARG 101          1HH2      ARG 101  -2.059  16.477   2.484
  791   HH22  ARG 101          2HH2      ARG 101  -3.775  16.584   2.199
  792    H    LEU 102           HN       LEU 102   2.825  13.212  -3.998
  793    HA   LEU 102           HA       LEU 102   4.593  13.984  -1.897
  794    HB2  LEU 102           2HB      LEU 102   4.194  11.628  -2.514
  795    HB3  LEU 102           1HB      LEU 102   5.020  11.901  -4.038
  796    HG   LEU 102           HG       LEU 102   7.099  12.398  -2.832
  797   HD11  LEU 102          1HD1      LEU 102   5.518  11.699  -0.360
  798   HD12  LEU 102          2HD1      LEU 102   6.142  13.295  -0.780
  799   HD13  LEU 102          3HD1      LEU 102   7.258  11.976  -0.428
  800   HD21  LEU 102          3HD2      LEU 102   6.555  10.086  -3.538
  801   HD22  LEU 102          1HD2      LEU 102   5.905   9.786  -1.927
  802   HD23  LEU 102          2HD2      LEU 102   7.616  10.159  -2.132
  803    H    ALA 103           HN       ALA 103   4.729  14.218  -5.417
  804    HA   ALA 103           HA       ALA 103   7.419  14.945  -5.673
  805    HB1  ALA 103           1HB      ALA 103   5.113  15.787  -7.425
  806    HB2  ALA 103           2HB      ALA 103   6.036  14.291  -7.582
  807    HB3  ALA 103           3HB      ALA 103   6.822  15.847  -7.855
  808    H    ARG 104           HN       ARG 104   4.570  16.879  -4.945
  809    HA   ARG 104           HA       ARG 104   5.670  19.426  -5.257
  810    HB2  ARG 104           2HB      ARG 104   3.606  18.475  -3.269
  811    HB3  ARG 104           1HB      ARG 104   3.953  20.162  -3.621
  812    HG2  ARG 104           2HG      ARG 104   3.301  19.726  -5.987
  813    HG3  ARG 104           1HG      ARG 104   2.793  18.110  -5.487
  814    HD2  ARG 104           2HD      ARG 104   0.920  19.712  -5.567
  815    HD3  ARG 104           1HD      ARG 104   1.179  19.045  -3.954
  816    HE   ARG 104           HE       ARG 104   2.240  21.145  -3.339
  817   HH11  ARG 104          1HH1      ARG 104   0.310  21.108  -6.268
  818   HH12  ARG 104          2HH1      ARG 104   0.099  22.838  -6.305
  819   HH21  ARG 104          1HH2      ARG 104   1.981  23.426  -3.393
  820   HH22  ARG 104          2HH2      ARG 104   1.074  24.148  -4.685
  821    H    GLU 105           HN       GLU 105   5.731  17.219  -2.508
  822    HA   GLU 105           HA       GLU 105   7.008  19.023  -0.731
  823    HB2  GLU 105           2HB      GLU 105   6.827  16.011  -0.656
  824    HB3  GLU 105           1HB      GLU 105   7.248  17.057   0.680
  825    HG2  GLU 105           2HG      GLU 105   4.604  16.943  -0.728
  826    HG3  GLU 105           1HG      GLU 105   4.964  16.325   0.880
  827    H    ASP 106           HN       ASP 106   8.077  16.407  -2.825
  828    HA   ASP 106           HA       ASP 106  10.775  16.387  -1.916
  829    HB2  ASP 106           2HB      ASP 106   9.592  14.483  -3.063
  830    HB3  ASP 106           1HB      ASP 106   9.744  15.376  -4.568
  831    H    ALA 107           HN       ALA 107   9.211  17.739  -4.781
  832    HA   ALA 107           HA       ALA 107  11.542  18.673  -6.038
  833    HB1  ALA 107           1HB      ALA 107  10.083  20.056  -7.392
  834    HB2  ALA 107           2HB      ALA 107   8.766  19.831  -6.242
  835    HB3  ALA 107           3HB      ALA 107   9.370  18.458  -7.170
  836    H    LEU 108           HN       LEU 108   9.308  20.331  -3.829
  837    HA   LEU 108           HA       LEU 108  10.892  22.725  -3.818
  838    HB2  LEU 108           2HB      LEU 108   8.612  21.843  -2.046
  839    HB3  LEU 108           1HB      LEU 108   9.326  23.435  -2.051
  840    HG   LEU 108           HG       LEU 108   7.887  22.196  -4.375
  841   HD11  LEU 108          1HD1      LEU 108   7.017  24.364  -2.479
  842   HD12  LEU 108          2HD1      LEU 108   6.378  22.723  -2.536
  843   HD13  LEU 108          3HD1      LEU 108   6.128  23.813  -3.899
  844   HD21  LEU 108          3HD2      LEU 108   8.019  24.418  -5.372
  845   HD22  LEU 108          1HD2      LEU 108   9.627  23.756  -5.072
  846   HD23  LEU 108          2HD2      LEU 108   8.964  24.982  -3.993
  847    H    GLU 109           HN       GLU 109  10.959  19.749  -2.227
  848    HA   GLU 109           HA       GLU 109  12.000  18.873  -0.426
  849    HB2  GLU 109           2HB      GLU 109  13.981  21.114  -0.861
  850    HB3  GLU 109           1HB      GLU 109  14.271  19.615   0.010
  851    HG2  GLU 109           2HG      GLU 109  13.782  18.418  -2.163
  852    HG3  GLU 109           1HG      GLU 109  13.865  20.000  -2.935
  853    H    HIS 110           HN       HIS 110   9.937  20.151   0.467
  854    HA   HIS 110           HA       HIS 110   8.977  21.166   2.262
  855    HB2  HIS 110           2HB      HIS 110  10.504  19.632   3.457
  856    HB3  HIS 110           1HB      HIS 110  11.758  20.857   3.415
  857    HD1  HIS 110           1HD      HIS 110  11.903  20.826   5.984
  858    HD2  HIS 110           2HD      HIS 110   8.174  21.948   4.515
  859    HE1  HIS 110           1HE      HIS 110  10.664  21.811   7.943
  860    HE2  HIS 110           2HE      HIS 110   8.354  22.324   7.070
  861    H    HIS 111           HN       HIS 111  10.039  22.724   0.147
  862    HA   HIS 111           HA       HIS 111  10.382  24.851  -0.515
  863    HB2  HIS 111           2HB      HIS 111   8.474  25.243   1.049
  864    HB3  HIS 111           1HB      HIS 111   9.638  25.595   2.316
  865    HD1  HIS 111           1HD      HIS 111   9.493  28.045   2.690
  866    HD2  HIS 111           2HD      HIS 111   9.493  27.085  -1.358
  867    HE1  HIS 111           1HE      HIS 111   9.537  30.245   1.472
  868    HE2  HIS 111           2HE      HIS 111   9.719  29.636  -0.966
  869    H    HIS 112           HN       HIS 112  12.443  23.216   0.952
  870    HA   HIS 112           HA       HIS 112  14.626  23.332   1.507
  871    HB2  HIS 112           2HB      HIS 112  14.366  25.050  -0.572
  872    HB3  HIS 112           1HB      HIS 112  15.001  26.139   0.659
  873    HD1  HIS 112           1HD      HIS 112  17.445  25.738   1.460
  874    HD2  HIS 112           2HD      HIS 112  16.136  23.069  -1.453
  875    HE1  HIS 112           1HE      HIS 112  19.506  24.546   0.650
  876    HE2  HIS 112           2HE      HIS 112  18.658  22.812  -0.966
  877    H    HIS 113           HN       HIS 113  12.458  24.518   3.300
  878    HA   HIS 113           HA       HIS 113  13.995  26.293   5.002
  879    HB2  HIS 113           2HB      HIS 113  11.477  26.390   4.828
  880    HB3  HIS 113           1HB      HIS 113  11.414  24.833   5.647
  881    HD1  HIS 113           1HD      HIS 113  11.859  28.465   6.247
  882    HD2  HIS 113           2HD      HIS 113  12.144  24.920   8.407
  883    HE1  HIS 113           1HE      HIS 113  11.897  29.144   8.669
  884    HE2  HIS 113           2HE      HIS 113  11.897  26.981   9.954
  885    H    HIS 114           HN       HIS 114  15.814  25.146   5.466
  886    HA   HIS 114           HA       HIS 114  17.246  23.570   6.110
  887    HB2  HIS 114           2HB      HIS 114  17.006  22.482   8.173
  888    HB3  HIS 114           1HB      HIS 114  16.117  23.981   8.348
  889    HD1  HIS 114           1HD      HIS 114  14.005  23.700   9.567
  890    HD2  HIS 114           2HD      HIS 114  15.035  20.236   7.504
  891    HE1  HIS 114           1HE      HIS 114  12.234  22.009  10.147
  892    HE2  HIS 114           2HE      HIS 114  12.767  19.993   8.728
  893    H    HIS 115           HN       HIS 115  17.940  21.568   5.536
  894    HA   HIS 115           HA       HIS 115  16.115  20.120   3.794
  895    HB2  HIS 115           2HB      HIS 115  18.433  20.677   3.048
  896    HB3  HIS 115           1HB      HIS 115  19.062  19.631   4.316
  897    HD1  HIS 115           1HD      HIS 115  17.921  19.613   0.851
  898    HD2  HIS 115           2HD      HIS 115  18.354  16.820   3.906
  899    HE1  HIS 115           1HE      HIS 115  17.858  17.363  -0.270
  900    HE2  HIS 115           2HE      HIS 115  18.273  15.698   1.573
  Start of MODEL    3
    1    H1   MET   1           H1       MET   1 -11.965 -10.953  23.568
    2    H2   MET   1           H2       MET   1 -10.619  -9.926  23.654
    3    H3   MET   1           H3       MET   1 -10.407 -11.605  23.713
    4    HA   MET   1           HA       MET   1  -9.806 -10.705  21.562
    5    HB2  MET   1           2HB      MET   1 -12.226 -12.501  21.695
    6    HB3  MET   1           1HB      MET   1 -11.426 -12.119  20.176
    7    HG2  MET   1           2HG      MET   1 -10.649 -14.236  20.985
    8    HG3  MET   1           1HG      MET   1  -9.338 -13.061  21.073
    9    HE1  MET   1           2HE      MET   1  -7.959 -14.637  22.632
   10    HE2  MET   1           3HE      MET   1  -9.232 -15.856  22.589
   11    HE3  MET   1           1HE      MET   1  -8.570 -15.329  24.135
   12    H    GLN   2           HN       GLN   2 -10.057  -8.572  21.096
   13    HA   GLN   2           HA       GLN   2 -12.653  -7.833  19.955
   14    HB2  GLN   2           2HB      GLN   2 -10.765  -6.250  21.662
   15    HB3  GLN   2           1HB      GLN   2 -11.838  -5.454  20.534
   16    HG2  GLN   2           2HG      GLN   2 -13.716  -6.747  21.669
   17    HG3  GLN   2           1HG      GLN   2 -12.536  -7.089  22.933
   18   HE21  GLN   2          1HE2      GLN   2 -11.746  -5.380  24.200
   19   HE22  GLN   2          2HE2      GLN   2 -12.594  -3.874  24.297
   20    H    ALA   3           HN       ALA   3 -12.357  -5.931  18.411
   21    HA   ALA   3           HA       ALA   3 -11.528  -5.052  16.501
   22    HB1  ALA   3           1HB      ALA   3  -8.852  -6.028  17.495
   23    HB2  ALA   3           2HB      ALA   3  -9.563  -4.448  17.826
   24    HB3  ALA   3           3HB      ALA   3  -9.121  -4.889  16.175
   25    H    ILE   4           HN       ILE   4 -10.502  -5.607  14.472
   26    HA   ILE   4           HA       ILE   4 -11.438  -8.132  13.572
   27    HB   ILE   4           HB       ILE   4  -9.812  -5.984  12.226
   28   HG12  ILE   4          2HG1      ILE   4 -11.989  -5.197  12.909
   29   HG13  ILE   4          1HG1      ILE   4 -11.982  -5.405  11.162
   30   HG21  ILE   4          1HG2      ILE   4  -9.486  -8.094  11.056
   31   HG22  ILE   4          2HG2      ILE   4 -10.473  -6.994  10.094
   32   HG23  ILE   4          3HG2      ILE   4 -11.231  -8.325  10.966
   33   HD11  ILE   4          3HD1      ILE   4 -13.178  -7.298  13.167
   34   HD12  ILE   4          1HD1      ILE   4 -13.156  -7.530  11.419
   35   HD13  ILE   4          2HD1      ILE   4 -14.060  -6.186  12.117
   36    H    THR   5           HN       THR   5  -8.368  -6.985  14.694
   37    HA   THR   5           HA       THR   5  -6.664  -8.674  13.241
   38    HB   THR   5           HB       THR   5  -5.831  -7.928  15.980
   39    HG1  THR   5           1HG      THR   5  -5.945  -5.781  15.648
   40   HG21  THR   5          3HG2      THR   5  -3.859  -7.119  14.749
   41   HG22  THR   5          1HG2      THR   5  -4.663  -7.508  13.227
   42   HG23  THR   5          2HG2      THR   5  -4.238  -8.797  14.356
   43    H    GLU   6           HN       GLU   6  -7.952  -9.063  16.576
   44    HA   GLU   6           HA       GLU   6  -6.508 -11.401  17.133
   45    HB2  GLU   6           2HB      GLU   6  -9.077 -10.361  18.326
   46    HB3  GLU   6           1HB      GLU   6  -8.221 -11.763  18.942
   47    HG2  GLU   6           2HG      GLU   6  -6.211 -10.229  19.191
   48    HG3  GLU   6           1HG      GLU   6  -7.338  -8.903  18.925
   49    H    ARG   7           HN       ARG   7  -9.675 -10.944  15.683
   50    HA   ARG   7           HA       ARG   7 -10.378 -13.703  15.875
   51    HB2  ARG   7           2HB      ARG   7 -12.304 -13.096  14.445
   52    HB3  ARG   7           1HB      ARG   7 -12.134 -12.044  15.840
   53    HG2  ARG   7           2HG      ARG   7 -11.015 -10.379  14.361
   54    HG3  ARG   7           1HG      ARG   7 -11.412 -11.418  12.990
   55    HD2  ARG   7           2HD      ARG   7 -13.082  -9.703  13.163
   56    HD3  ARG   7           1HD      ARG   7 -13.805 -11.244  13.623
   57    HE   ARG   7           HE       ARG   7 -12.797  -9.648  15.821
   58   HH11  ARG   7          1HH1      ARG   7 -15.546 -10.412  13.802
   59   HH12  ARG   7          2HH1      ARG   7 -16.719  -9.882  14.968
   60   HH21  ARG   7          1HH2      ARG   7 -14.353  -8.938  17.384
   61   HH22  ARG   7          2HH2      ARG   7 -16.045  -9.031  16.994
   62    H    LEU   8           HN       LEU   8  -9.103 -11.661  13.256
   63    HA   LEU   8           HA       LEU   8  -9.214 -13.715  11.300
   64    HB2  LEU   8           2HB      LEU   8  -7.635 -11.158  11.442
   65    HB3  LEU   8           1HB      LEU   8  -7.532 -12.258  10.081
   66    HG   LEU   8           HG       LEU   8  -9.964 -10.725  10.992
   67   HD11  LEU   8          1HD1      LEU   8  -9.781  -9.699   8.773
   68   HD12  LEU   8          2HD1      LEU   8  -8.312 -10.625   8.473
   69   HD13  LEU   8          3HD1      LEU   8  -8.343  -9.412   9.752
   70   HD21  LEU   8          3HD2      LEU   8 -10.629 -12.953  10.268
   71   HD22  LEU   8          1HD2      LEU   8  -9.704 -12.760   8.777
   72   HD23  LEU   8          2HD2      LEU   8 -11.112 -11.741   9.081
   73    H    GLU   9           HN       GLU   9  -6.599 -12.537  13.416
   74    HA   GLU   9           HA       GLU   9  -4.570 -14.154  12.367
   75    HB2  GLU   9           2HB      GLU   9  -4.918 -13.085  15.173
   76    HB3  GLU   9           1HB      GLU   9  -3.455 -13.865  14.590
   77    HG2  GLU   9           2HG      GLU   9  -3.238 -12.111  12.873
   78    HG3  GLU   9           1HG      GLU   9  -4.660 -11.312  13.544
   79    H    ALA  10           HN       ALA  10  -7.074 -14.859  14.728
   80    HA   ALA  10           HA       ALA  10  -5.953 -17.301  15.645
   81    HB1  ALA  10           1HB      ALA  10  -8.134 -17.718  16.631
   82    HB2  ALA  10           2HB      ALA  10  -8.832 -16.409  15.682
   83    HB3  ALA  10           3HB      ALA  10  -7.628 -16.055  16.919
   84    H    MET  11           HN       MET  11  -8.498 -16.582  13.247
   85    HA   MET  11           HA       MET  11  -8.929 -19.338  12.664
   86    HB2  MET  11           2HB      MET  11 -10.420 -18.547  10.922
   87    HB3  MET  11           1HB      MET  11 -10.703 -17.663  12.409
   88    HG2  MET  11           2HG      MET  11  -9.421 -15.784  11.528
   89    HG3  MET  11           1HG      MET  11  -9.148 -16.676  10.032
   90    HE1  MET  11           3HE      MET  11 -11.154 -17.417   8.381
   91    HE2  MET  11           1HE      MET  11 -12.845 -17.015   8.680
   92    HE3  MET  11           2HE      MET  11 -12.007 -18.145   9.743
   93    H    LEU  12           HN       LEU  12  -6.950 -16.799  11.272
   94    HA   LEU  12           HA       LEU  12  -6.208 -18.096   8.888
   95    HB2  LEU  12           2HB      LEU  12  -5.769 -15.725   9.327
   96    HB3  LEU  12           1HB      LEU  12  -4.662 -16.151  10.612
   97    HG   LEU  12           HG       LEU  12  -4.065 -17.169   7.874
   98   HD11  LEU  12          1HD1      LEU  12  -4.682 -14.837   7.491
   99   HD12  LEU  12          2HD1      LEU  12  -2.946 -15.079   7.296
  100   HD13  LEU  12          3HD1      LEU  12  -3.574 -14.331   8.765
  101   HD21  LEU  12          3HD2      LEU  12  -2.657 -17.768   9.801
  102   HD22  LEU  12          1HD2      LEU  12  -2.346 -16.058  10.094
  103   HD23  LEU  12          2HD2      LEU  12  -1.773 -16.816   8.607
  104    H    ALA  13           HN       ALA  13  -4.852 -18.136  12.141
  105    HA   ALA  13           HA       ALA  13  -2.655 -19.824  11.509
  106    HB1  ALA  13           1HB      ALA  13  -2.350 -20.014  13.912
  107    HB2  ALA  13           2HB      ALA  13  -3.934 -19.289  14.183
  108    HB3  ALA  13           3HB      ALA  13  -2.642 -18.336  13.450
  109    H    GLN  14           HN       GLN  14  -5.994 -20.442  12.101
  110    HA   GLN  14           HA       GLN  14  -5.637 -23.187  12.914
  111    HB2  GLN  14           2HB      GLN  14  -8.116 -21.732  11.970
  112    HB3  GLN  14           1HB      GLN  14  -8.099 -23.374  12.596
  113    HG2  GLN  14           2HG      GLN  14  -7.519 -20.823  14.059
  114    HG3  GLN  14           1HG      GLN  14  -8.817 -21.975  14.354
  115   HE21  GLN  14          1HE2      GLN  14  -5.499 -21.201  14.891
  116   HE22  GLN  14          2HE2      GLN  14  -5.158 -22.468  16.025
  117    H    GLY  15           HN       GLY  15  -5.367 -21.553  10.012
  118    HA2  GLY  15           2HA      GLY  15  -4.440 -22.893   8.189
  119    HA3  GLY  15           1HA      GLY  15  -5.659 -24.104   8.554
  120    H    THR  16           HN       THR  16  -7.322 -21.376   8.924
  121    HA   THR  16           HA       THR  16  -8.483 -21.620   6.288
  122    HB   THR  16           HB       THR  16  -9.365 -19.687   8.425
  123    HG1  THR  16           1HG      THR  16 -10.037 -22.455   8.134
  124   HG21  THR  16          3HG2      THR  16 -11.558 -19.972   7.366
  125   HG22  THR  16          1HG2      THR  16 -10.864 -21.113   6.216
  126   HG23  THR  16          2HG2      THR  16 -10.360 -19.423   6.192
  127    H    ASP  17           HN       ASP  17  -6.379 -20.777   5.398
  128    HA   ASP  17           HA       ASP  17  -6.810 -17.994   4.737
  129    HB2  ASP  17           2HB      ASP  17  -5.308 -17.749   6.631
  130    HB3  ASP  17           1HB      ASP  17  -4.198 -18.931   5.946
  131    H    ASN  18           HN       ASN  18  -5.381 -17.300   2.985
  132    HA   ASN  18           HA       ASN  18  -4.136 -19.275   1.323
  133    HB2  ASN  18           2HB      ASN  18  -5.747 -18.670  -0.629
  134    HB3  ASN  18           1HB      ASN  18  -6.266 -19.869   0.543
  135   HD21  ASN  18          1HD2      ASN  18  -8.006 -19.474   1.822
  136   HD22  ASN  18          2HD2      ASN  18  -9.018 -18.071   1.664
  137    H    MET  19           HN       MET  19  -5.839 -16.208   1.078
  138    HA   MET  19           HA       MET  19  -3.386 -14.728   0.756
  139    HB2  MET  19           2HB      MET  19  -3.892 -15.626  -1.538
  140    HB3  MET  19           1HB      MET  19  -5.411 -14.747  -1.497
  141    HG2  MET  19           2HG      MET  19  -2.782 -13.354  -1.167
  142    HG3  MET  19           1HG      MET  19  -3.445 -13.720  -2.753
  143    HE1  MET  19           3HE      MET  19  -3.367 -11.183  -3.429
  144    HE2  MET  19           1HE      MET  19  -2.669 -10.785  -1.858
  145    HE3  MET  19           2HE      MET  19  -4.054  -9.879  -2.465
  146    H    LEU  20           HN       LEU  20  -6.893 -14.843   0.644
  147    HA   LEU  20           HA       LEU  20  -7.541 -12.165   0.778
  148    HB2  LEU  20           2HB      LEU  20  -9.058 -14.158   0.434
  149    HB3  LEU  20           1HB      LEU  20  -9.043 -14.379   2.170
  150    HG   LEU  20           HG       LEU  20  -9.964 -11.784   0.953
  151   HD11  LEU  20          1HD1      LEU  20 -11.264 -13.569  -0.097
  152   HD12  LEU  20          2HD1      LEU  20 -12.250 -12.640   1.035
  153   HD13  LEU  20          3HD1      LEU  20 -11.643 -14.232   1.494
  154   HD21  LEU  20          3HD2      LEU  20 -10.606 -13.190   3.547
  155   HD22  LEU  20          1HD2      LEU  20 -11.250 -11.632   3.029
  156   HD23  LEU  20          2HD2      LEU  20  -9.526 -11.807   3.359
  157    H    LEU  21           HN       LEU  21  -7.197 -14.390   3.571
  158    HA   LEU  21           HA       LEU  21  -7.758 -12.349   5.457
  159    HB2  LEU  21           2HB      LEU  21  -6.546 -15.085   5.763
  160    HB3  LEU  21           1HB      LEU  21  -6.790 -14.007   7.123
  161    HG   LEU  21           HG       LEU  21  -9.259 -13.951   6.386
  162   HD11  LEU  21          1HD1      LEU  21 -10.029 -15.960   5.231
  163   HD12  LEU  21          2HD1      LEU  21  -8.357 -16.458   4.978
  164   HD13  LEU  21          3HD1      LEU  21  -8.968 -14.993   4.206
  165   HD21  LEU  21          3HD2      LEU  21  -8.436 -15.008   8.421
  166   HD22  LEU  21          1HD2      LEU  21  -8.055 -16.471   7.513
  167   HD23  LEU  21          2HD2      LEU  21  -9.732 -15.952   7.687
  168    H    ARG  22           HN       ARG  22  -4.723 -13.876   4.439
  169    HA   ARG  22           HA       ARG  22  -2.974 -12.455   6.055
  170    HB2  ARG  22           2HB      ARG  22  -2.134 -14.285   4.831
  171    HB3  ARG  22           1HB      ARG  22  -2.687 -13.623   3.301
  172    HG2  ARG  22           2HG      ARG  22  -0.964 -12.037   3.237
  173    HG3  ARG  22           1HG      ARG  22  -0.571 -12.273   4.942
  174    HD2  ARG  22           2HD      ARG  22   0.957 -13.343   3.168
  175    HD3  ARG  22           1HD      ARG  22   0.459 -14.316   4.553
  176    HE   ARG  22           HE       ARG  22  -1.301 -14.606   2.315
  177   HH11  ARG  22          1HH1      ARG  22   1.756 -15.629   3.634
  178   HH12  ARG  22          2HH1      ARG  22   1.722 -17.196   2.884
  179   HH21  ARG  22          1HH2      ARG  22  -1.388 -16.684   1.314
  180   HH22  ARG  22          2HH2      ARG  22  -0.084 -17.804   1.577
  181    H    PHE  23           HN       PHE  23  -4.296 -11.542   2.878
  182    HA   PHE  23           HA       PHE  23  -2.917  -9.084   2.664
  183    HB2  PHE  23           2HB      PHE  23  -3.976 -10.071   0.715
  184    HB3  PHE  23           1HB      PHE  23  -5.559  -9.974   1.478
  185    HD1  PHE  23           1HD      PHE  23  -2.805  -7.973   0.046
  186    HD2  PHE  23           2HD      PHE  23  -6.850  -8.002   1.365
  187    HE1  PHE  23           1HE      PHE  23  -3.148  -5.753  -0.959
  188    HE2  PHE  23           2HE      PHE  23  -7.198  -5.782   0.367
  189    HZ   PHE  23           HZ       PHE  23  -5.347  -4.652  -0.797
  190    H    THR  24           HN       THR  24  -6.083  -9.939   3.992
  191    HA   THR  24           HA       THR  24  -6.935  -7.322   4.560
  192    HB   THR  24           HB       THR  24  -7.722  -9.845   6.030
  193    HG1  THR  24           1HG      THR  24  -8.040 -10.017   3.751
  194   HG21  THR  24          3HG2      THR  24  -8.453  -7.813   7.162
  195   HG22  THR  24          1HG2      THR  24  -9.832  -8.632   6.426
  196   HG23  THR  24          2HG2      THR  24  -9.142  -7.203   5.658
  197    H    LEU  25           HN       LEU  25  -5.149  -9.690   6.518
  198    HA   LEU  25           HA       LEU  25  -5.079  -8.162   8.884
  199    HB2  LEU  25           2HB      LEU  25  -3.348 -10.361   7.808
  200    HB3  LEU  25           1HB      LEU  25  -2.928  -9.541   9.300
  201    HG   LEU  25           HG       LEU  25  -5.514 -11.020   8.798
  202   HD11  LEU  25          1HD1      LEU  25  -3.111 -11.762  10.462
  203   HD12  LEU  25          2HD1      LEU  25  -3.613 -12.536   8.958
  204   HD13  LEU  25          3HD1      LEU  25  -4.632 -12.651  10.392
  205   HD21  LEU  25          3HD2      LEU  25  -5.916 -10.679  11.172
  206   HD22  LEU  25          1HD2      LEU  25  -5.749  -9.132  10.343
  207   HD23  LEU  25          2HD2      LEU  25  -4.416  -9.761  11.311
  208    H    GLY  26           HN       GLY  26  -2.831  -8.328   6.138
  209    HA2  GLY  26           2HA      GLY  26  -0.907  -6.529   7.110
  210    HA3  GLY  26           1HA      GLY  26  -1.260  -6.807   5.409
  211    H    LYS  27           HN       LYS  27  -3.827  -5.941   5.200
  212    HA   LYS  27           HA       LYS  27  -3.632  -3.145   5.045
  213    HB2  LYS  27           2HB      LYS  27  -5.159  -4.530   3.685
  214    HB3  LYS  27           1HB      LYS  27  -6.101  -4.891   5.121
  215    HG2  LYS  27           2HG      LYS  27  -6.676  -2.515   5.330
  216    HG3  LYS  27           1HG      LYS  27  -5.752  -2.177   3.865
  217    HD2  LYS  27           2HD      LYS  27  -7.225  -3.672   2.598
  218    HD3  LYS  27           1HD      LYS  27  -8.150  -4.001   4.061
  219    HE2  LYS  27           2HE      LYS  27  -8.700  -1.591   4.200
  220    HE3  LYS  27           1HE      LYS  27  -7.855  -1.338   2.675
  221    HZ1  LYS  27           3HZ      LYS  27 -10.294  -1.577   2.445
  222    HZ2  LYS  27           1HZ      LYS  27 -10.169  -3.169   3.013
  223    HZ3  LYS  27           2HZ      LYS  27  -9.422  -2.724   1.554
  224    H    THR  28           HN       THR  28  -5.067  -5.273   7.463
  225    HA   THR  28           HA       THR  28  -6.277  -3.284   9.045
  226    HB   THR  28           HB       THR  28  -5.275  -6.019   9.869
  227    HG1  THR  28           1HG      THR  28  -6.841  -6.115   8.210
  228   HG21  THR  28          3HG2      THR  28  -5.682  -4.588  11.811
  229   HG22  THR  28          1HG2      THR  28  -6.911  -5.846  11.695
  230   HG23  THR  28          2HG2      THR  28  -7.287  -4.196  11.200
  231    H    TYR  29           HN       TYR  29  -3.027  -4.729   9.142
  232    HA   TYR  29           HA       TYR  29  -2.163  -3.438  11.491
  233    HB2  TYR  29           2HB      TYR  29  -0.586  -4.361   9.081
  234    HB3  TYR  29           1HB      TYR  29   0.158  -3.729  10.543
  235    HD1  TYR  29           1HD      TYR  29  -1.199  -4.988  12.718
  236    HD2  TYR  29           2HD      TYR  29  -0.226  -6.614   8.914
  237    HE1  TYR  29           1HE      TYR  29  -1.184  -7.245  13.695
  238    HE2  TYR  29           2HE      TYR  29  -0.214  -8.877   9.875
  239    HH   TYR  29           HH       TYR  29  -1.453  -9.586  12.957
  240    H    ALA  30           HN       ALA  30  -2.167  -2.423   8.111
  241    HA   ALA  30           HA       ALA  30  -0.792   0.013   8.477
  242    HB1  ALA  30           1HB      ALA  30  -1.711   0.639   6.303
  243    HB2  ALA  30           2HB      ALA  30  -2.842  -0.713   6.385
  244    HB3  ALA  30           3HB      ALA  30  -1.107  -1.017   6.283
  245    H    GLU  31           HN       GLU  31  -4.221  -0.843   8.654
  246    HA   GLU  31           HA       GLU  31  -5.166   1.801   9.074
  247    HB2  GLU  31           2HB      GLU  31  -6.404  -0.843   9.871
  248    HB3  GLU  31           1HB      GLU  31  -7.237   0.704   9.872
  249    HG2  GLU  31           2HG      GLU  31  -6.904   0.875   7.451
  250    HG3  GLU  31           1HG      GLU  31  -6.109  -0.700   7.461
  251    H    HIS  32           HN       HIS  32  -3.658  -0.520  11.121
  252    HA   HIS  32           HA       HIS  32  -4.506   0.825  13.569
  253    HB2  HIS  32           2HB      HIS  32  -2.992  -1.704  12.991
  254    HB3  HIS  32           1HB      HIS  32  -2.986  -0.993  14.598
  255    HD1  HIS  32           1HD      HIS  32  -4.366  -2.665  15.832
  256    HD2  HIS  32           2HD      HIS  32  -6.207  -1.341  12.348
  257    HE1  HIS  32           1HE      HIS  32  -6.692  -3.626  15.882
  258    HE2  HIS  32           2HE      HIS  32  -7.720  -2.961  13.678
  259    H    GLU  33           HN       GLU  33  -2.390   1.631  11.343
  260    HA   GLU  33           HA       GLU  33  -0.513   2.903  11.246
  261    HB2  GLU  33           2HB      GLU  33  -1.808   4.144  13.044
  262    HB3  GLU  33           1HB      GLU  33  -0.817   3.301  14.224
  263    HG2  GLU  33           2HG      GLU  33   1.193   4.302  13.228
  264    HG3  GLU  33           1HG      GLU  33   0.173   5.172  12.084
  265    H    GLN  34           HN       GLN  34  -0.412   0.035  11.876
  266    HA   GLN  34           HA       GLN  34   2.229  -0.119  13.180
  267    HB2  GLN  34           2HB      GLN  34   0.194  -1.469  14.062
  268    HB3  GLN  34           1HB      GLN  34   0.434  -2.478  12.642
  269    HG2  GLN  34           2HG      GLN  34   2.698  -2.993  13.379
  270    HG3  GLN  34           1HG      GLN  34   2.483  -1.956  14.787
  271   HE21  GLN  34          1HE2      GLN  34   3.131  -4.757  14.729
  272   HE22  GLN  34          2HE2      GLN  34   1.859  -5.578  15.577
  273    H    PHE  35           HN       PHE  35   2.322   0.877  10.773
  274    HA   PHE  35           HA       PHE  35   2.007  -0.656   8.498
  275    HB2  PHE  35           2HB      PHE  35   4.047   1.529   8.943
  276    HB3  PHE  35           1HB      PHE  35   3.456   0.963   7.384
  277    HD1  PHE  35           1HD      PHE  35   1.137   1.434   6.698
  278    HD2  PHE  35           2HD      PHE  35   2.786   3.044  10.269
  279    HE1  PHE  35           1HE      PHE  35  -0.675   3.097   6.778
  280    HE2  PHE  35           2HE      PHE  35   0.977   4.705  10.362
  281    HZ   PHE  35           HZ       PHE  35  -0.757   4.739   8.616
  282    H    ASP  36           HN       ASP  36   4.730  -0.531  10.698
  283    HA   ASP  36           HA       ASP  36   6.700  -1.780   9.193
  284    HB2  ASP  36           2HB      ASP  36   7.050  -0.821  11.439
  285    HB3  ASP  36           1HB      ASP  36   6.136  -2.144  12.142
  286    H    ALA  37           HN       ALA  37   4.162  -3.190  11.168
  287    HA   ALA  37           HA       ALA  37   4.890  -5.910  10.616
  288    HB1  ALA  37           1HB      ALA  37   3.740  -5.279  12.693
  289    HB2  ALA  37           2HB      ALA  37   2.853  -6.509  11.790
  290    HB3  ALA  37           3HB      ALA  37   2.315  -4.829  11.753
  291    H    ALA  38           HN       ALA  38   2.856  -3.537   9.164
  292    HA   ALA  38           HA       ALA  38   1.190  -5.285   7.666
  293    HB1  ALA  38           1HB      ALA  38   1.887  -2.405   7.105
  294    HB2  ALA  38           2HB      ALA  38   0.597  -2.953   8.176
  295    HB3  ALA  38           3HB      ALA  38   0.517  -3.303   6.451
  296    H    LEU  39           HN       LEU  39   4.267  -3.698   7.026
  297    HA   LEU  39           HA       LEU  39   4.338  -3.848   4.275
  298    HB2  LEU  39           2HB      LEU  39   6.593  -4.023   6.258
  299    HB3  LEU  39           1HB      LEU  39   6.837  -3.847   4.534
  300    HG   LEU  39           HG       LEU  39   5.384  -1.863   6.287
  301   HD11  LEU  39          1HD1      LEU  39   7.340  -0.443   5.953
  302   HD12  LEU  39          2HD1      LEU  39   8.135  -1.739   5.060
  303   HD13  LEU  39          3HD1      LEU  39   7.776  -1.942   6.774
  304   HD21  LEU  39          3HD2      LEU  39   5.481  -0.413   4.321
  305   HD22  LEU  39          1HD2      LEU  39   4.563  -1.882   3.991
  306   HD23  LEU  39          2HD2      LEU  39   6.212  -1.720   3.390
  307    HA   PRO  40           HA       PRO  40   6.626  -8.147   4.421
  308    HB2  PRO  40           2HB      PRO  40   5.988  -9.692   6.617
  309    HB3  PRO  40           1HB      PRO  40   7.486  -8.777   6.429
  310    HG2  PRO  40           2HG      PRO  40   5.007  -8.068   7.937
  311    HG3  PRO  40           1HG      PRO  40   6.703  -7.802   8.378
  312    HD2  PRO  40           2HD      PRO  40   5.160  -5.823   7.434
  313    HD3  PRO  40           1HD      PRO  40   6.889  -5.930   7.036
  314    H    HIS  41           HN       HIS  41   3.528  -7.962   6.141
  315    HA   HIS  41           HA       HIS  41   2.525 -10.394   5.041
  316    HB2  HIS  41           2HB      HIS  41   1.143  -8.127   6.484
  317    HB3  HIS  41           1HB      HIS  41   0.332  -9.613   5.989
  318    HD1  HIS  41           1HD      HIS  41   2.529  -8.201   8.609
  319    HD2  HIS  41           2HD      HIS  41   1.232 -11.959   7.384
  320    HE1  HIS  41           1HE      HIS  41   3.100  -9.762  10.491
  321    HE2  HIS  41           2HE      HIS  41   2.506 -12.052   9.635
  322    H    LEU  42           HN       LEU  42   2.231  -6.994   4.215
  323    HA   LEU  42           HA       LEU  42   0.275  -7.358   2.180
  324    HB2  LEU  42           2HB      LEU  42   0.747  -5.203   3.331
  325    HB3  LEU  42           1HB      LEU  42   2.287  -5.129   2.501
  326    HG   LEU  42           HG       LEU  42   1.110  -5.009   0.337
  327   HD11  LEU  42          1HD1      LEU  42  -1.382  -4.901   2.031
  328   HD12  LEU  42          2HD1      LEU  42  -0.915  -6.216   0.956
  329   HD13  LEU  42          3HD1      LEU  42  -1.303  -4.632   0.289
  330   HD21  LEU  42          3HD2      LEU  42   0.238  -2.949   2.358
  331   HD22  LEU  42          1HD2      LEU  42   0.248  -2.735   0.608
  332   HD23  LEU  42          2HD2      LEU  42   1.764  -2.962   1.476
  333    H    ARG  43           HN       ARG  43   3.799  -7.290   2.239
  334    HA   ARG  43           HA       ARG  43   4.185  -7.436  -0.557
  335    HB2  ARG  43           2HB      ARG  43   5.987  -6.794   0.981
  336    HB3  ARG  43           1HB      ARG  43   5.977  -8.408   1.680
  337    HG2  ARG  43           2HG      ARG  43   6.688  -9.350  -0.443
  338    HG3  ARG  43           1HG      ARG  43   6.654  -7.748  -1.179
  339    HD2  ARG  43           2HD      ARG  43   8.925  -8.381  -0.586
  340    HD3  ARG  43           1HD      ARG  43   8.391  -6.997   0.366
  341    HE   ARG  43           HE       ARG  43   7.823  -9.139   1.948
  342   HH11  ARG  43          1HH1      ARG  43  10.714  -8.075   0.284
  343   HH12  ARG  43          2HH1      ARG  43  11.795  -8.682   1.506
  344   HH21  ARG  43          1HH2      ARG  43   9.219  -9.938   3.564
  345   HH22  ARG  43          2HH2      ARG  43  10.940  -9.739   3.388
  346    H    ALA  44           HN       ALA  44   3.800  -9.898   1.948
  347    HA   ALA  44           HA       ALA  44   4.320 -12.159   0.362
  348    HB1  ALA  44           1HB      ALA  44   3.138 -13.429   2.064
  349    HB2  ALA  44           2HB      ALA  44   2.442 -11.945   2.717
  350    HB3  ALA  44           3HB      ALA  44   4.182 -12.222   2.815
  351    H    ALA  45           HN       ALA  45   1.465 -10.174   0.739
  352    HA   ALA  45           HA       ALA  45  -0.373 -11.891  -0.548
  353    HB1  ALA  45           1HB      ALA  45  -0.392  -8.879  -0.357
  354    HB2  ALA  45           2HB      ALA  45  -1.099  -9.998   0.809
  355    HB3  ALA  45           3HB      ALA  45  -1.759  -9.892  -0.823
  356    H    LEU  46           HN       LEU  46   1.773  -9.347  -1.726
  357    HA   LEU  46           HA       LEU  46   0.903  -9.523  -4.437
  358    HB2  LEU  46           2HB      LEU  46   3.308  -8.267  -3.141
  359    HB3  LEU  46           1HB      LEU  46   3.040  -8.222  -4.873
  360    HG   LEU  46           HG       LEU  46   1.181  -7.066  -2.795
  361   HD11  LEU  46          1HD1      LEU  46   3.079  -5.727  -4.713
  362   HD12  LEU  46          2HD1      LEU  46   3.263  -5.819  -2.962
  363   HD13  LEU  46          3HD1      LEU  46   1.925  -4.907  -3.663
  364   HD21  LEU  46          3HD2      LEU  46   0.033  -6.075  -4.716
  365   HD22  LEU  46          1HD2      LEU  46  -0.000  -7.837  -4.786
  366   HD23  LEU  46          2HD2      LEU  46   1.118  -6.934  -5.809
  367    H    ASP  47           HN       ASP  47   3.274 -11.186  -2.522
  368    HA   ASP  47           HA       ASP  47   4.870 -12.283  -4.546
  369    HB2  ASP  47           2HB      ASP  47   5.317 -12.455  -2.089
  370    HB3  ASP  47           1HB      ASP  47   4.014 -13.630  -1.972
  371    H    PHE  48           HN       PHE  48   1.833 -13.371  -3.124
  372    HA   PHE  48           HA       PHE  48   1.650 -15.634  -4.899
  373    HB2  PHE  48           2HB      PHE  48  -0.213 -14.506  -2.818
  374    HB3  PHE  48           1HB      PHE  48  -0.664 -15.856  -3.853
  375    HD1  PHE  48           2HD      PHE  48   0.442 -18.010  -3.640
  376    HD2  PHE  48           1HD      PHE  48   1.398 -14.766  -1.062
  377    HE1  PHE  48           2HE      PHE  48   1.563 -19.569  -2.102
  378    HE2  PHE  48           1HE      PHE  48   2.522 -16.315   0.477
  379    HZ   PHE  48           HZ       PHE  48   2.604 -18.722  -0.039
  380    H    ASP  49           HN       ASP  49   0.028 -12.475  -4.609
  381    HA   ASP  49           HA       ASP  49  -0.973 -12.909  -7.345
  382    HB2  ASP  49           2HB      ASP  49  -2.775 -13.083  -5.527
  383    HB3  ASP  49           1HB      ASP  49  -2.555 -11.350  -5.308
  384    HA   PRO  50           HA       PRO  50   1.467  -9.032  -7.398
  385    HB2  PRO  50           2HB      PRO  50   1.982  -9.836 -10.164
  386    HB3  PRO  50           1HB      PRO  50   3.131  -9.528  -8.861
  387    HG2  PRO  50           2HG      PRO  50   2.679 -12.006  -9.838
  388    HG3  PRO  50           1HG      PRO  50   3.102 -11.711  -8.139
  389    HD2  PRO  50           2HD      PRO  50   0.419 -12.256  -9.362
  390    HD3  PRO  50           1HD      PRO  50   1.114 -12.876  -7.848
  391    H    THR  51           HN       THR  51  -1.290 -10.185  -8.863
  392    HA   THR  51           HA       THR  51  -1.628  -7.887 -10.647
  393    HB   THR  51           HB       THR  51  -3.697  -9.243 -11.372
  394    HG1  THR  51           1HG      THR  51  -3.287 -10.694  -9.392
  395   HG21  THR  51          3HG2      THR  51  -1.682  -9.023 -12.741
  396   HG22  THR  51          1HG2      THR  51  -2.342 -10.653 -12.861
  397   HG23  THR  51          2HG2      THR  51  -0.925 -10.347 -11.857
  398    H    TYR  52           HN       TYR  52  -1.999  -8.106  -7.569
  399    HA   TYR  52           HA       TYR  52  -4.822  -7.491  -7.308
  400    HB2  TYR  52           2HB      TYR  52  -3.187  -8.763  -5.627
  401    HB3  TYR  52           1HB      TYR  52  -2.939  -7.125  -5.030
  402    HD1  TYR  52           2HD      TYR  52  -4.848  -5.856  -4.074
  403    HD2  TYR  52           1HD      TYR  52  -5.234  -9.925  -5.252
  404    HE1  TYR  52           2HE      TYR  52  -6.924  -6.036  -2.766
  405    HE2  TYR  52           1HE      TYR  52  -7.306 -10.116  -3.945
  406    HH   TYR  52           HH       TYR  52  -8.357  -8.977  -1.989
  407    H    SER  53           HN       SER  53  -5.047  -5.608  -8.440
  408    HA   SER  53           HA       SER  53  -3.455  -3.400  -8.559
  409    HB2  SER  53           2HB      SER  53  -6.460  -3.205  -8.537
  410    HB3  SER  53           1HB      SER  53  -5.309  -2.284  -9.505
  411    HG   SER  53           HG       SER  53  -5.329  -3.816 -10.957
  412    H    VAL  54           HN       VAL  54  -5.957  -4.057  -6.124
  413    HA   VAL  54           HA       VAL  54  -5.999  -1.563  -4.870
  414    HB   VAL  54           HB       VAL  54  -6.442  -4.294  -3.647
  415   HG11  VAL  54          1HG1      VAL  54  -7.233  -1.571  -2.612
  416   HG12  VAL  54          2HG1      VAL  54  -5.999  -2.624  -1.920
  417   HG13  VAL  54          3HG1      VAL  54  -7.693  -3.117  -1.898
  418   HG21  VAL  54          3HG2      VAL  54  -8.830  -3.772  -3.972
  419   HG22  VAL  54          1HG2      VAL  54  -7.950  -3.852  -5.499
  420   HG23  VAL  54          2HG2      VAL  54  -8.377  -2.287  -4.806
  421    H    ALA  55           HN       ALA  55  -3.836  -4.310  -4.444
  422    HA   ALA  55           HA       ALA  55  -2.616  -3.359  -2.059
  423    HB1  ALA  55           1HB      ALA  55  -0.998  -5.132  -2.387
  424    HB2  ALA  55           2HB      ALA  55  -1.559  -5.367  -4.041
  425    HB3  ALA  55           3HB      ALA  55  -2.627  -5.736  -2.687
  426    H    TRP  56           HN       TRP  56  -2.049  -2.800  -5.460
  427    HA   TRP  56           HA       TRP  56   0.639  -1.949  -5.302
  428    HB2  TRP  56           2HB      TRP  56  -1.487  -0.990  -7.236
  429    HB3  TRP  56           1HB      TRP  56   0.252  -0.901  -7.470
  430    HD1  TRP  56           1HD      TRP  56   0.501  -4.105  -6.364
  431    HE1  TRP  56           1HE      TRP  56   0.050  -5.921  -8.128
  432    HE3  TRP  56           3HE      TRP  56  -2.091  -1.303  -9.754
  433    HZ2  TRP  56           2HZ      TRP  56  -1.254  -6.139 -10.622
  434    HZ3  TRP  56           3HZ      TRP  56  -2.911  -2.388 -11.800
  435    HH2  TRP  56           2HH      TRP  56  -2.502  -4.756 -12.229
  436    H    LYS  57           HN       LYS  57  -2.416  -0.150  -5.256
  437    HA   LYS  57           HA       LYS  57  -1.229   2.375  -4.772
  438    HB2  LYS  57           2HB      LYS  57  -3.405   2.312  -5.756
  439    HB3  LYS  57           1HB      LYS  57  -4.050   1.366  -4.433
  440    HG2  LYS  57           2HG      LYS  57  -3.845   3.250  -2.932
  441    HG3  LYS  57           1HG      LYS  57  -3.090   4.207  -4.207
  442    HD2  LYS  57           2HD      LYS  57  -5.120   4.131  -5.521
  443    HD3  LYS  57           1HD      LYS  57  -5.875   3.055  -4.345
  444    HE2  LYS  57           2HE      LYS  57  -5.724   4.816  -2.645
  445    HE3  LYS  57           1HE      LYS  57  -4.988   5.893  -3.829
  446    HZ1  LYS  57           3HZ      LYS  57  -7.637   4.677  -4.328
  447    HZ2  LYS  57           1HZ      LYS  57  -6.973   6.085  -5.005
  448    HZ3  LYS  57           2HZ      LYS  57  -7.492   6.076  -3.387
  449    H    TRP  58           HN       TRP  58  -2.368  -0.203  -2.668
  450    HA   TRP  58           HA       TRP  58  -2.304   1.304  -0.265
  451    HB2  TRP  58           2HB      TRP  58  -2.705  -1.504  -1.001
  452    HB3  TRP  58           1HB      TRP  58  -1.938  -1.278   0.568
  453    HD1  TRP  58           1HD      TRP  58  -5.266  -1.005  -1.171
  454    HE1  TRP  58           1HE      TRP  58  -7.071  -0.273   0.518
  455    HE3  TRP  58           3HE      TRP  58  -2.231   0.241   2.748
  456    HZ2  TRP  58           2HZ      TRP  58  -7.177   0.702   3.170
  457    HZ3  TRP  58           3HZ      TRP  58  -3.263   1.062   4.824
  458    HH2  TRP  58           2HH      TRP  58  -5.685   1.289   5.030
  459    H    LEU  59           HN       LEU  59   0.162  -0.375  -2.066
  460    HA   LEU  59           HA       LEU  59   2.109  -0.752  -0.115
  461    HB2  LEU  59           2HB      LEU  59   2.389   0.047  -3.009
  462    HB3  LEU  59           1HB      LEU  59   3.755  -0.359  -1.992
  463    HG   LEU  59           HG       LEU  59   1.488  -2.234  -2.668
  464   HD11  LEU  59          1HD1      LEU  59   4.314  -2.120  -3.718
  465   HD12  LEU  59          2HD1      LEU  59   2.859  -1.693  -4.618
  466   HD13  LEU  59          3HD1      LEU  59   3.114  -3.356  -4.096
  467   HD21  LEU  59          3HD2      LEU  59   4.111  -2.707  -1.256
  468   HD22  LEU  59          1HD2      LEU  59   2.931  -3.943  -1.687
  469   HD23  LEU  59          2HD2      LEU  59   2.517  -2.703  -0.504
  470    H    GLY  60           HN       GLY  60   1.583   2.090  -2.178
  471    HA2  GLY  60           2HA      GLY  60   3.622   3.673  -1.053
  472    HA3  GLY  60           1HA      GLY  60   2.245   4.276  -1.961
  473    H    LYS  61           HN       LYS  61   0.177   3.406  -0.262
  474    HA   LYS  61           HA       LYS  61   0.034   5.515   1.577
  475    HB2  LYS  61           2HB      LYS  61  -1.502   2.939   1.313
  476    HB3  LYS  61           1HB      LYS  61  -1.853   4.087   2.594
  477    HG2  LYS  61           2HG      LYS  61  -2.430   5.782   0.984
  478    HG3  LYS  61           1HG      LYS  61  -1.944   4.727  -0.345
  479    HD2  LYS  61           2HD      LYS  61  -4.400   4.795  -0.002
  480    HD3  LYS  61           1HD      LYS  61  -3.719   3.178   0.163
  481    HE2  LYS  61           2HE      LYS  61  -5.291   3.457   1.922
  482    HE3  LYS  61           1HE      LYS  61  -3.686   3.548   2.644
  483    HZ1  LYS  61           3HZ      LYS  61  -3.960   6.055   2.417
  484    HZ2  LYS  61           1HZ      LYS  61  -4.893   5.276   3.607
  485    HZ3  LYS  61           2HZ      LYS  61  -5.605   5.738   2.140
  486    H    THR  62           HN       THR  62   0.829   2.098   2.030
  487    HA   THR  62           HA       THR  62   1.092   2.172   4.839
  488    HB   THR  62           HB       THR  62   2.507   0.288   2.941
  489    HG1  THR  62           1HG      THR  62   0.341   0.179   2.435
  490   HG21  THR  62          3HG2      THR  62   2.370  -1.288   4.799
  491   HG22  THR  62          1HG2      THR  62   1.559  -0.075   5.788
  492   HG23  THR  62          2HG2      THR  62   3.233   0.170   5.291
  493    H    LEU  63           HN       LEU  63   3.427   2.597   2.212
  494    HA   LEU  63           HA       LEU  63   5.701   2.779   3.904
  495    HB2  LEU  63           2HB      LEU  63   5.237   3.636   1.056
  496    HB3  LEU  63           1HB      LEU  63   6.792   3.763   1.859
  497    HG   LEU  63           HG       LEU  63   5.300   1.162   1.527
  498   HD11  LEU  63          1HD1      LEU  63   7.572   2.259  -0.121
  499   HD12  LEU  63          2HD1      LEU  63   5.902   2.074  -0.660
  500   HD13  LEU  63          3HD1      LEU  63   6.865   0.650  -0.261
  501   HD21  LEU  63          3HD2      LEU  63   8.141   1.793   2.315
  502   HD22  LEU  63          1HD2      LEU  63   7.477   0.175   2.073
  503   HD23  LEU  63          2HD2      LEU  63   6.869   1.192   3.381
  504    H    GLN  64           HN       GLN  64   3.411   5.154   2.690
  505    HA   GLN  64           HA       GLN  64   4.876   7.458   3.469
  506    HB2  GLN  64           2HB      GLN  64   1.938   6.979   3.008
  507    HB3  GLN  64           1HB      GLN  64   2.564   8.547   3.494
  508    HG2  GLN  64           2HG      GLN  64   3.362   7.050   1.008
  509    HG3  GLN  64           1HG      GLN  64   2.206   8.378   1.078
  510   HE21  GLN  64          1HE2      GLN  64   5.557   7.481   1.290
  511   HE22  GLN  64          2HE2      GLN  64   6.198   9.079   1.162
  512    H    GLY  65           HN       GLY  65   2.592   5.363   5.134
  513    HA2  GLY  65           2HA      GLY  65   2.501   6.901   7.536
  514    HA3  GLY  65           1HA      GLY  65   2.030   5.213   7.367
  515    H    GLN  66           HN       GLN  66   4.518   4.266   6.374
  516    HA   GLN  66           HA       GLN  66   5.937   3.829   8.782
  517    HB2  GLN  66           2HB      GLN  66   5.864   2.238   6.874
  518    HB3  GLN  66           1HB      GLN  66   6.844   3.353   5.935
  519    HG2  GLN  66           2HG      GLN  66   8.188   1.548   6.824
  520    HG3  GLN  66           1HG      GLN  66   8.676   3.093   7.518
  521   HE21  GLN  66          1HE2      GLN  66   9.623   2.075   9.291
  522   HE22  GLN  66          2HE2      GLN  66   8.687   1.364  10.561
  523    H    GLY  67           HN       GLY  67   6.468   5.959   6.012
  524    HA2  GLY  67           2HA      GLY  67   7.391   8.161   6.459
  525    HA3  GLY  67           1HA      GLY  67   8.426   7.418   7.670
  526    H    ASP  68           HN       ASP  68   8.186   5.504   4.912
  527    HA   ASP  68           HA       ASP  68  10.893   6.297   4.144
  528    HB2  ASP  68           2HB      ASP  68  10.511   3.911   4.628
  529    HB3  ASP  68           1HB      ASP  68   9.301   3.846   3.352
  530    H    ARG  69           HN       ARG  69  10.425   8.154   3.013
  531    HA   ARG  69           HA       ARG  69   8.528   8.305   0.919
  532    HB2  ARG  69           2HB      ARG  69   9.769  10.397   0.284
  533    HB3  ARG  69           1HB      ARG  69   9.181  10.339   1.938
  534    HG2  ARG  69           2HG      ARG  69  11.446   9.715   2.690
  535    HG3  ARG  69           1HG      ARG  69  12.012   9.884   1.026
  536    HD2  ARG  69           2HD      ARG  69  11.491  12.208   1.001
  537    HD3  ARG  69           1HD      ARG  69  10.633  12.093   2.536
  538    HE   ARG  69           HE       ARG  69  13.559  11.856   2.212
  539   HH11  ARG  69          1HH1      ARG  69  10.722  12.667   4.098
  540   HH12  ARG  69          2HH1      ARG  69  11.623  13.201   5.480
  541   HH21  ARG  69          1HH2      ARG  69  14.756  12.568   4.029
  542   HH22  ARG  69          2HH2      ARG  69  13.923  13.152   5.441
  543    H    ALA  70           HN       ALA  70  11.917   7.385   1.012
  544    HA   ALA  70           HA       ALA  70  12.345   7.440  -1.798
  545    HB1  ALA  70           1HB      ALA  70  14.170   7.414  -0.140
  546    HB2  ALA  70           2HB      ALA  70  14.333   6.133  -1.341
  547    HB3  ALA  70           3HB      ALA  70  13.743   5.755   0.279
  548    H    GLY  71           HN       GLY  71  11.509   4.826   0.461
  549    HA2  GLY  71           2HA      GLY  71  11.300   2.788  -1.478
  550    HA3  GLY  71           1HA      GLY  71  10.555   2.769   0.115
  551    H    ALA  72           HN       ALA  72   8.919   5.057  -0.184
  552    HA   ALA  72           HA       ALA  72   6.655   3.973  -1.456
  553    HB1  ALA  72           1HB      ALA  72   5.608   6.142  -1.091
  554    HB2  ALA  72           2HB      ALA  72   7.181   6.859  -0.733
  555    HB3  ALA  72           3HB      ALA  72   6.503   5.632   0.341
  556    H    ARG  73           HN       ARG  73   8.983   6.419  -2.487
  557    HA   ARG  73           HA       ARG  73   7.845   7.095  -4.948
  558    HB2  ARG  73           2HB      ARG  73   9.712   8.302  -3.848
  559    HB3  ARG  73           1HB      ARG  73  10.778   6.952  -4.211
  560    HG2  ARG  73           2HG      ARG  73  10.523   7.349  -6.584
  561    HG3  ARG  73           1HG      ARG  73   9.379   8.657  -6.262
  562    HD2  ARG  73           2HD      ARG  73  12.258   8.593  -5.357
  563    HD3  ARG  73           1HD      ARG  73  11.651   9.485  -6.751
  564    HE   ARG  73           HE       ARG  73  10.188  10.652  -5.015
  565   HH11  ARG  73          1HH1      ARG  73  13.393   9.410  -4.319
  566   HH12  ARG  73          2HH1      ARG  73  13.714  10.608  -3.098
  567   HH21  ARG  73          1HH2      ARG  73  10.634  12.216  -3.386
  568   HH22  ARG  73          2HH2      ARG  73  12.168  12.185  -2.569
  569    H    GLN  74           HN       GLN  74  10.332   4.686  -4.169
  570    HA   GLN  74           HA       GLN  74  10.614   3.538  -6.700
  571    HB2  GLN  74           2HB      GLN  74  12.171   3.084  -4.899
  572    HB3  GLN  74           1HB      GLN  74  10.907   2.324  -3.944
  573    HG2  GLN  74           2HG      GLN  74  10.726   0.574  -5.706
  574    HG3  GLN  74           1HG      GLN  74  12.126   1.302  -6.495
  575   HE21  GLN  74          1HE2      GLN  74  13.339  -0.578  -6.229
  576   HE22  GLN  74          2HE2      GLN  74  13.980  -1.044  -4.683
  577    H    ALA  75           HN       ALA  75   8.379   2.760  -4.068
  578    HA   ALA  75           HA       ALA  75   7.260   0.452  -5.216
  579    HB1  ALA  75           1HB      ALA  75   7.040   0.994  -2.844
  580    HB2  ALA  75           2HB      ALA  75   5.467   0.724  -3.590
  581    HB3  ALA  75           3HB      ALA  75   6.010   2.367  -3.250
  582    H    TRP  76           HN       TRP  76   6.154   3.844  -5.273
  583    HA   TRP  76           HA       TRP  76   3.791   3.325  -6.708
  584    HB2  TRP  76           2HB      TRP  76   5.425   5.815  -6.312
  585    HB3  TRP  76           1HB      TRP  76   3.986   5.810  -7.323
  586    HD1  TRP  76           1HD      TRP  76   2.173   3.934  -5.489
  587    HE1  TRP  76           1HE      TRP  76   1.216   4.882  -3.301
  588    HE3  TRP  76           3HE      TRP  76   5.463   7.778  -4.755
  589    HZ2  TRP  76           2HZ      TRP  76   1.783   6.963  -1.490
  590    HZ3  TRP  76           3HZ      TRP  76   5.183   9.199  -2.769
  591    HH2  TRP  76           2HH      TRP  76   3.382   8.802  -1.172
  592    H    GLU  77           HN       GLU  77   7.055   4.176  -7.803
  593    HA   GLU  77           HA       GLU  77   6.465   4.328 -10.549
  594    HB2  GLU  77           2HB      GLU  77   9.004   3.551  -9.108
  595    HB3  GLU  77           1HB      GLU  77   8.906   3.756 -10.851
  596    HG2  GLU  77           2HG      GLU  77   8.208   6.086 -10.527
  597    HG3  GLU  77           1HG      GLU  77   8.356   5.871  -8.783
  598    H    SER  78           HN       SER  78   7.194   1.597  -8.461
  599    HA   SER  78           HA       SER  78   7.329  -0.347 -10.544
  600    HB2  SER  78           2HB      SER  78   6.710  -0.740  -7.605
  601    HB3  SER  78           1HB      SER  78   7.216  -1.993  -8.737
  602    HG   SER  78           HG       SER  78   8.743   0.280  -7.946
  603    H    GLY  79           HN       GLY  79   4.793   0.676  -8.276
  604    HA2  GLY  79           2HA      GLY  79   2.842  -1.191  -9.151
  605    HA3  GLY  79           1HA      GLY  79   2.534   0.265  -8.217
  606    H    LEU  80           HN       LEU  80   3.723   2.011 -10.250
  607    HA   LEU  80           HA       LEU  80   1.442   2.613 -11.763
  608    HB2  LEU  80           2HB      LEU  80   3.595   4.006 -11.179
  609    HB3  LEU  80           1HB      LEU  80   4.174   3.372 -12.700
  610    HG   LEU  80           HG       LEU  80   2.173   4.344 -13.823
  611   HD11  LEU  80          1HD1      LEU  80   0.694   4.447 -11.902
  612   HD12  LEU  80          2HD1      LEU  80   0.891   6.046 -12.617
  613   HD13  LEU  80          3HD1      LEU  80   1.746   5.632 -11.132
  614   HD21  LEU  80          3HD2      LEU  80   3.931   6.284 -12.321
  615   HD22  LEU  80          1HD2      LEU  80   2.981   6.652 -13.758
  616   HD23  LEU  80          2HD2      LEU  80   4.318   5.504 -13.856
  617    H    ALA  81           HN       ALA  81   4.523   1.196 -12.763
  618    HA   ALA  81           HA       ALA  81   3.732   0.572 -15.401
  619    HB1  ALA  81           1HB      ALA  81   6.076   0.706 -14.696
  620    HB2  ALA  81           2HB      ALA  81   5.716  -0.840 -15.467
  621    HB3  ALA  81           3HB      ALA  81   5.860  -0.742 -13.711
  622    H    ALA  82           HN       ALA  82   3.390  -1.167 -12.367
  623    HA   ALA  82           HA       ALA  82   2.602  -3.651 -13.471
  624    HB1  ALA  82           1HB      ALA  82   1.684  -4.141 -11.269
  625    HB2  ALA  82           2HB      ALA  82   1.791  -2.438 -10.827
  626    HB3  ALA  82           3HB      ALA  82   3.261  -3.367 -11.115
  627    H    ALA  83           HN       ALA  83   0.768  -0.835 -12.355
  628    HA   ALA  83           HA       ALA  83  -1.793  -1.798 -13.022
  629    HB1  ALA  83           1HB      ALA  83  -1.422   0.091 -11.508
  630    HB2  ALA  83           2HB      ALA  83  -2.513   0.524 -12.823
  631    HB3  ALA  83           3HB      ALA  83  -0.833   1.057 -12.860
  632    H    GLN  84           HN       GLN  84   0.519   0.195 -14.831
  633    HA   GLN  84           HA       GLN  84  -1.011   0.590 -17.131
  634    HB2  GLN  84           2HB      GLN  84   1.935   0.494 -16.586
  635    HB3  GLN  84           1HB      GLN  84   1.347   0.690 -18.226
  636    HG2  GLN  84           2HG      GLN  84   0.504   2.486 -15.977
  637    HG3  GLN  84           1HG      GLN  84   1.919   2.798 -16.983
  638   HE21  GLN  84          1HE2      GLN  84   1.654   3.479 -19.080
  639   HE22  GLN  84          2HE2      GLN  84   0.119   3.945 -19.731
  640    H    SER  85           HN       SER  85   1.241  -2.019 -16.306
  641    HA   SER  85           HA       SER  85   1.009  -3.370 -18.772
  642    HB2  SER  85           2HB      SER  85   1.805  -4.477 -16.075
  643    HB3  SER  85           1HB      SER  85   2.078  -5.264 -17.632
  644    HG   SER  85           HG       SER  85   3.278  -2.953 -16.553
  645    H    ARG  86           HN       ARG  86  -1.008  -3.472 -15.899
  646    HA   ARG  86           HA       ARG  86  -2.453  -5.767 -16.962
  647    HB2  ARG  86           2HB      ARG  86  -2.667  -4.281 -14.357
  648    HB3  ARG  86           1HB      ARG  86  -3.736  -5.591 -14.820
  649    HG2  ARG  86           2HG      ARG  86  -0.752  -5.776 -14.472
  650    HG3  ARG  86           1HG      ARG  86  -1.976  -6.375 -13.355
  651    HD2  ARG  86           2HD      ARG  86  -1.185  -8.233 -14.607
  652    HD3  ARG  86           1HD      ARG  86  -2.803  -7.865 -15.193
  653    HE   ARG  86           HE       ARG  86  -0.767  -6.580 -16.727
  654   HH11  ARG  86          1HH1      ARG  86  -2.460  -9.627 -16.292
  655   HH12  ARG  86          2HH1      ARG  86  -2.160 -10.150 -17.926
  656   HH21  ARG  86          1HH2      ARG  86  -0.405  -7.268 -18.855
  657   HH22  ARG  86          2HH2      ARG  86  -0.968  -8.832 -19.368
  658    H    GLY  87           HN       GLY  87  -2.667  -2.370 -17.030
  659    HA2  GLY  87           2HA      GLY  87  -4.168  -1.209 -18.416
  660    HA3  GLY  87           1HA      GLY  87  -5.212  -2.617 -18.428
  661    H    ASP  88           HN       ASP  88  -4.067  -1.479 -15.390
  662    HA   ASP  88           HA       ASP  88  -6.775  -0.706 -14.662
  663    HB2  ASP  88           2HB      ASP  88  -4.285  -1.193 -13.040
  664    HB3  ASP  88           1HB      ASP  88  -5.720  -0.452 -12.341
  665    H    GLN  89           HN       GLN  89  -6.784   1.161 -15.974
  666    HA   GLN  89           HA       GLN  89  -4.922   3.229 -15.886
  667    HB2  GLN  89           2HB      GLN  89  -7.841   3.204 -16.616
  668    HB3  GLN  89           1HB      GLN  89  -6.777   4.568 -16.894
  669    HG2  GLN  89           2HG      GLN  89  -6.418   1.812 -18.030
  670    HG3  GLN  89           1HG      GLN  89  -7.058   3.202 -18.899
  671   HE21  GLN  89          1HE2      GLN  89  -4.218   1.718 -17.553
  672   HE22  GLN  89          2HE2      GLN  89  -3.060   2.758 -18.311
  673    H    GLN  90           HN       GLN  90  -7.871   2.729 -14.008
  674    HA   GLN  90           HA       GLN  90  -7.988   5.200 -12.722
  675    HB2  GLN  90           2HB      GLN  90  -9.759   3.484 -12.585
  676    HB3  GLN  90           1HB      GLN  90  -8.711   2.492 -11.579
  677    HG2  GLN  90           2HG      GLN  90  -8.687   4.303  -9.896
  678    HG3  GLN  90           1HG      GLN  90  -9.826   5.202 -10.894
  679   HE21  GLN  90          1HE2      GLN  90 -11.942   4.469 -11.081
  680   HE22  GLN  90          2HE2      GLN  90 -12.616   3.313  -9.987
  681    H    VAL  91           HN       VAL  91  -6.191   2.276 -11.868
  682    HA   VAL  91           HA       VAL  91  -5.184   3.264  -9.406
  683    HB   VAL  91           HB       VAL  91  -4.038   1.071 -11.144
  684   HG11  VAL  91          1HG1      VAL  91  -3.682   1.674  -8.206
  685   HG12  VAL  91          2HG1      VAL  91  -2.455   1.786  -9.467
  686   HG13  VAL  91          3HG1      VAL  91  -3.111   0.214  -9.015
  687   HG21  VAL  91          3HG2      VAL  91  -5.343  -0.470  -9.758
  688   HG22  VAL  91          1HG2      VAL  91  -6.380   0.647 -10.641
  689   HG23  VAL  91          2HG2      VAL  91  -6.075   0.899  -8.923
  690    H    VAL  92           HN       VAL  92  -3.953   3.218 -12.712
  691    HA   VAL  92           HA       VAL  92  -1.354   4.140 -12.263
  692    HB   VAL  92           HB       VAL  92  -3.156   4.772 -14.616
  693   HG11  VAL  92          1HG1      VAL  92  -1.257   6.283 -14.548
  694   HG12  VAL  92          2HG1      VAL  92  -1.062   5.125 -15.861
  695   HG13  VAL  92          3HG1      VAL  92  -0.152   4.922 -14.366
  696   HG21  VAL  92          3HG2      VAL  92  -1.143   2.553 -14.253
  697   HG22  VAL  92          1HG2      VAL  92  -2.067   2.882 -15.719
  698   HG23  VAL  92          2HG2      VAL  92  -2.897   2.368 -14.248
  699    H    LYS  93           HN       LYS  93  -4.319   5.964 -12.922
  700    HA   LYS  93           HA       LYS  93  -3.074   8.494 -12.793
  701    HB2  LYS  93           2HB      LYS  93  -5.968   7.671 -12.612
  702    HB3  LYS  93           1HB      LYS  93  -5.440   9.349 -12.658
  703    HG2  LYS  93           2HG      LYS  93  -4.408   8.994 -14.824
  704    HG3  LYS  93           1HG      LYS  93  -4.850   7.289 -14.774
  705    HD2  LYS  93           2HD      LYS  93  -6.823   9.568 -14.736
  706    HD3  LYS  93           1HD      LYS  93  -6.350   8.677 -16.183
  707    HE2  LYS  93           2HE      LYS  93  -7.110   6.586 -15.017
  708    HE3  LYS  93           1HE      LYS  93  -7.774   7.617 -13.750
  709    HZ1  LYS  93           3HZ      LYS  93  -8.543   7.640 -16.620
  710    HZ2  LYS  93           1HZ      LYS  93  -9.148   8.704 -15.443
  711    HZ3  LYS  93           2HZ      LYS  93  -9.474   7.040 -15.337
  712    H    GLU  94           HN       GLU  94  -4.759   6.547 -10.340
  713    HA   GLU  94           HA       GLU  94  -4.766   8.480  -8.311
  714    HB2  GLU  94           2HB      GLU  94  -4.701   5.478  -8.296
  715    HB3  GLU  94           1HB      GLU  94  -4.818   6.427  -6.823
  716    HG2  GLU  94           2HG      GLU  94  -6.735   6.734  -9.098
  717    HG3  GLU  94           1HG      GLU  94  -6.967   5.575  -7.800
  718    H    LEU  95           HN       LEU  95  -2.405   5.930  -9.068
  719    HA   LEU  95           HA       LEU  95  -0.663   6.598  -6.930
  720    HB2  LEU  95           2HB      LEU  95  -0.244   4.990  -9.439
  721    HB3  LEU  95           1HB      LEU  95   0.983   5.169  -8.199
  722    HG   LEU  95           HG       LEU  95  -1.724   3.851  -7.868
  723   HD11  LEU  95          1HD1      LEU  95  -0.080   2.501  -9.069
  724   HD12  LEU  95          2HD1      LEU  95  -0.404   1.840  -7.465
  725   HD13  LEU  95          3HD1      LEU  95   1.081   2.745  -7.764
  726   HD21  LEU  95          3HD2      LEU  95   0.464   4.307  -5.845
  727   HD22  LEU  95          1HD2      LEU  95  -0.989   3.341  -5.596
  728   HD23  LEU  95          2HD2      LEU  95  -1.120   5.081  -5.858
  729    H    GLN  96           HN       GLN  96  -0.890   7.628 -10.269
  730    HA   GLN  96           HA       GLN  96   1.552   8.931 -10.560
  731    HB2  GLN  96           2HB      GLN  96  -0.076   8.578 -12.383
  732    HB3  GLN  96           1HB      GLN  96  -1.142   9.767 -11.651
  733    HG2  GLN  96           2HG      GLN  96   0.572  11.489 -11.991
  734    HG3  GLN  96           1HG      GLN  96   1.603  10.290 -12.770
  735   HE21  GLN  96          1HE2      GLN  96   1.631  11.388 -14.723
  736   HE22  GLN  96          2HE2      GLN  96   0.252  11.479 -15.763
  737    H    VAL  97           HN       VAL  97  -1.461  10.040  -9.077
  738    HA   VAL  97           HA       VAL  97  -0.716  12.718  -8.647
  739    HB   VAL  97           HB       VAL  97  -2.624  10.997  -7.056
  740   HG11  VAL  97          1HG1      VAL  97  -1.959  12.935  -5.758
  741   HG12  VAL  97          2HG1      VAL  97  -3.620  13.128  -6.324
  742   HG13  VAL  97          3HG1      VAL  97  -2.308  13.999  -7.123
  743   HG21  VAL  97          3HG2      VAL  97  -3.135  12.943  -9.303
  744   HG22  VAL  97          1HG2      VAL  97  -4.361  12.042  -8.408
  745   HG23  VAL  97          2HG2      VAL  97  -3.203  11.184  -9.426
  746    H    PHE  98           HN       PHE  98  -0.352   9.834  -6.625
  747    HA   PHE  98           HA       PHE  98   0.631  11.124  -4.339
  748    HB2  PHE  98           2HB      PHE  98   1.006   8.315  -5.363
  749    HB3  PHE  98           1HB      PHE  98   1.657   8.856  -3.820
  750    HD1  PHE  98           1HD      PHE  98  -0.096  10.024  -2.242
  751    HD2  PHE  98           2HD      PHE  98  -1.075   7.331  -5.387
  752    HE1  PHE  98           1HE      PHE  98  -2.240   9.530  -1.147
  753    HE2  PHE  98           2HE      PHE  98  -3.227   6.832  -4.299
  754    HZ   PHE  98           HZ       PHE  98  -3.809   7.933  -2.176
  755    H    LEU  99           HN       LEU  99   2.316   9.836  -7.181
  756    HA   LEU  99           HA       LEU  99   4.941  10.233  -6.334
  757    HB2  LEU  99           2HB      LEU  99   3.683  10.348  -9.064
  758    HB3  LEU  99           1HB      LEU  99   5.407  10.557  -8.828
  759    HG   LEU  99           HG       LEU  99   3.865   8.098  -7.994
  760   HD11  LEU  99          1HD1      LEU  99   4.895   7.018  -9.923
  761   HD12  LEU  99          2HD1      LEU  99   5.620   8.551 -10.405
  762   HD13  LEU  99          3HD1      LEU  99   3.867   8.359 -10.425
  763   HD21  LEU  99          3HD2      LEU  99   6.825   8.652  -8.172
  764   HD22  LEU  99          1HD2      LEU  99   6.088   7.104  -7.754
  765   HD23  LEU  99          2HD2      LEU  99   5.887   8.495  -6.687
  766    H    ARG 100           HN       ARG 100   2.632  12.506  -7.709
  767    HA   ARG 100           HA       ARG 100   4.452  14.653  -8.094
  768    HB2  ARG 100           2HB      ARG 100   1.502  14.939  -7.545
  769    HB3  ARG 100           1HB      ARG 100   2.538  15.995  -8.487
  770    HG2  ARG 100           2HG      ARG 100   2.834  14.069 -10.068
  771    HG3  ARG 100           1HG      ARG 100   1.520  13.282  -9.210
  772    HD2  ARG 100           2HD      ARG 100   0.690  14.453 -11.187
  773    HD3  ARG 100           1HD      ARG 100   0.047  15.156  -9.703
  774    HE   ARG 100           HE       ARG 100   2.233  16.677 -10.217
  775   HH11  ARG 100          1HH1      ARG 100  -0.577  15.778 -12.097
  776   HH12  ARG 100          2HH1      ARG 100  -0.552  17.215 -13.069
  777   HH21  ARG 100          1HH2      ARG 100   2.283  18.559 -11.459
  778   HH22  ARG 100          2HH2      ARG 100   1.106  18.806 -12.725
  779    H    ARG 101           HN       ARG 101   2.130  13.812  -5.625
  780    HA   ARG 101           HA       ARG 101   2.492  16.019  -3.933
  781    HB2  ARG 101           2HB      ARG 101   1.752  13.206  -3.110
  782    HB3  ARG 101           1HB      ARG 101   1.447  14.677  -2.193
  783    HG2  ARG 101           2HG      ARG 101   0.008  15.471  -4.049
  784    HG3  ARG 101           1HG      ARG 101   0.226  13.905  -4.834
  785    HD2  ARG 101           2HD      ARG 101  -1.846  13.856  -3.651
  786    HD3  ARG 101           1HD      ARG 101  -0.704  12.841  -2.772
  787    HE   ARG 101           HE       ARG 101  -0.525  14.553  -1.109
  788   HH11  ARG 101          1HH1      ARG 101  -2.987  15.121  -3.532
  789   HH12  ARG 101          2HH1      ARG 101  -3.902  16.220  -2.543
  790   HH21  ARG 101          1HH2      ARG 101  -1.728  16.006   0.208
  791   HH22  ARG 101          2HH2      ARG 101  -3.188  16.708  -0.419
  792    H    LEU 102           HN       LEU 102   4.151  12.903  -4.045
  793    HA   LEU 102           HA       LEU 102   5.748  13.343  -1.740
  794    HB2  LEU 102           2HB      LEU 102   5.335  11.121  -2.715
  795    HB3  LEU 102           1HB      LEU 102   6.271  11.572  -4.128
  796    HG   LEU 102           HG       LEU 102   8.264  11.846  -2.655
  797   HD11  LEU 102          1HD1      LEU 102   8.203  10.891  -0.415
  798   HD12  LEU 102          2HD1      LEU 102   6.473  10.598  -0.580
  799   HD13  LEU 102          3HD1      LEU 102   7.089  12.250  -0.557
  800   HD21  LEU 102          3HD2      LEU 102   7.881   9.792  -3.932
  801   HD22  LEU 102          1HD2      LEU 102   6.971   9.126  -2.576
  802   HD23  LEU 102          2HD2      LEU 102   8.691   9.469  -2.399
  803    H    ALA 103           HN       ALA 103   6.154  14.049  -5.154
  804    HA   ALA 103           HA       ALA 103   8.872  14.764  -5.116
  805    HB1  ALA 103           1HB      ALA 103   7.659  14.313  -7.185
  806    HB2  ALA 103           2HB      ALA 103   8.431  15.898  -7.230
  807    HB3  ALA 103           3HB      ALA 103   6.695  15.769  -6.946
  808    H    ARG 104           HN       ARG 104   5.982  16.511  -4.244
  809    HA   ARG 104           HA       ARG 104   6.900  19.138  -4.372
  810    HB2  ARG 104           2HB      ARG 104   4.980  17.944  -2.361
  811    HB3  ARG 104           1HB      ARG 104   5.146  19.655  -2.732
  812    HG2  ARG 104           2HG      ARG 104   4.379  19.279  -4.992
  813    HG3  ARG 104           1HG      ARG 104   4.299  17.542  -4.704
  814    HD2  ARG 104           2HD      ARG 104   2.618  17.961  -2.935
  815    HD3  ARG 104           1HD      ARG 104   2.653  19.675  -3.350
  816    HE   ARG 104           HE       ARG 104   1.629  17.508  -5.056
  817   HH11  ARG 104          1HH1      ARG 104   1.952  20.908  -4.316
  818   HH12  ARG 104          2HH1      ARG 104   0.785  21.411  -5.508
  819   HH21  ARG 104          1HH2      ARG 104   0.079  18.146  -6.617
  820   HH22  ARG 104          2HH2      ARG 104  -0.262  19.840  -6.833
  821    H    GLU 105           HN       GLU 105   7.128  16.808  -1.696
  822    HA   GLU 105           HA       GLU 105   8.413  18.494   0.156
  823    HB2  GLU 105           2HB      GLU 105   8.480  15.492  -0.198
  824    HB3  GLU 105           1HB      GLU 105   9.067  16.342   1.215
  825    HG2  GLU 105           2HG      GLU 105   6.233  16.587   0.284
  826    HG3  GLU 105           1HG      GLU 105   6.761  15.286   1.347
  827    H    ASP 106           HN       ASP 106   9.579  16.368  -2.363
  828    HA   ASP 106           HA       ASP 106  12.331  16.370  -1.616
  829    HB2  ASP 106           2HB      ASP 106  11.122  14.588  -2.912
  830    HB3  ASP 106           1HB      ASP 106  11.044  15.688  -4.273
  831    H    ALA 107           HN       ALA 107  10.466  18.022  -4.082
  832    HA   ALA 107           HA       ALA 107  12.566  19.396  -5.332
  833    HB1  ALA 107           1HB      ALA 107   9.687  20.247  -5.075
  834    HB2  ALA 107           2HB      ALA 107  10.335  19.162  -6.306
  835    HB3  ALA 107           3HB      ALA 107  10.851  20.847  -6.256
  836    H    LEU 108           HN       LEU 108  10.959  19.988  -2.333
  837    HA   LEU 108           HA       LEU 108  11.163  22.735  -2.089
  838    HB2  LEU 108           2HB      LEU 108  11.228  20.558  -0.026
  839    HB3  LEU 108           1HB      LEU 108  11.251  22.249   0.398
  840    HG   LEU 108           HG       LEU 108   9.057  20.856  -1.095
  841   HD11  LEU 108          1HD1      LEU 108   9.135  20.234   1.256
  842   HD12  LEU 108          2HD1      LEU 108   7.740  21.263   0.927
  843   HD13  LEU 108          3HD1      LEU 108   9.169  21.938   1.712
  844   HD21  LEU 108          3HD2      LEU 108   7.835  22.953  -0.875
  845   HD22  LEU 108          1HD2      LEU 108   9.316  23.179  -1.804
  846   HD23  LEU 108          2HD2      LEU 108   9.244  23.699  -0.121
  847    H    GLU 109           HN       GLU 109  13.632  20.284  -1.107
  848    HA   GLU 109           HA       GLU 109  15.147  22.478   0.031
  849    HB2  GLU 109           2HB      GLU 109  15.548  19.511   0.185
  850    HB3  GLU 109           1HB      GLU 109  16.630  20.689   0.925
  851    HG2  GLU 109           2HG      GLU 109  14.579  21.583   2.122
  852    HG3  GLU 109           1HG      GLU 109  13.761  20.118   1.586
  853    H    HIS 110           HN       HIS 110  16.712  19.751  -1.268
  854    HA   HIS 110           HA       HIS 110  18.242  21.570  -3.006
  855    HB2  HIS 110           2HB      HIS 110  19.503  20.747  -1.019
  856    HB3  HIS 110           1HB      HIS 110  19.306  19.105  -1.618
  857    HD1  HIS 110           1HD      HIS 110  21.003  22.366  -2.519
  858    HD2  HIS 110           2HD      HIS 110  21.189  18.316  -3.462
  859    HE1  HIS 110           1HE      HIS 110  23.065  22.090  -3.935
  860    HE2  HIS 110           2HE      HIS 110  23.063  19.670  -4.632
  861    H    HIS 111           HN       HIS 111  16.374  18.803  -2.861
  862    HA   HIS 111           HA       HIS 111  17.399  17.645  -5.333
  863    HB2  HIS 111           2HB      HIS 111  16.324  16.556  -3.036
  864    HB3  HIS 111           1HB      HIS 111  14.959  16.515  -4.145
  865    HD1  HIS 111           1HD      HIS 111  14.785  14.303  -5.152
  866    HD2  HIS 111           2HD      HIS 111  18.752  15.425  -4.619
  867    HE1  HIS 111           1HE      HIS 111  16.159  12.395  -6.058
  868    HE2  HIS 111           2HE      HIS 111  18.541  12.991  -5.486
  869    H    HIS 112           HN       HIS 112  16.560  20.114  -5.777
  870    HA   HIS 112           HA       HIS 112  13.762  20.515  -5.980
  871    HB2  HIS 112           2HB      HIS 112  15.415  22.301  -5.541
  872    HB3  HIS 112           1HB      HIS 112  16.016  22.126  -7.184
  873    HD1  HIS 112           1HD      HIS 112  12.930  23.239  -5.301
  874    HD2  HIS 112           2HD      HIS 112  14.636  23.511  -9.079
  875    HE1  HIS 112           1HE      HIS 112  11.521  24.906  -6.562
  876    HE2  HIS 112           2HE      HIS 112  12.661  25.145  -8.812
  877    H    HIS 113           HN       HIS 113  16.169  19.431  -8.253
  878    HA   HIS 113           HA       HIS 113  15.991  18.405 -10.262
  879    HB2  HIS 113           2HB      HIS 113  12.999  18.674  -9.925
  880    HB3  HIS 113           1HB      HIS 113  13.806  17.728 -11.170
  881    HD1  HIS 113           1HD      HIS 113  15.598  15.877  -9.948
  882    HD2  HIS 113           2HD      HIS 113  12.218  17.135  -7.877
  883    HE1  HIS 113           1HE      HIS 113  15.199  14.137  -8.171
  884    HE2  HIS 113           2HE      HIS 113  13.329  15.084  -6.762
  885    H    HIS 114           HN       HIS 114  13.139  20.529 -10.613
  886    HA   HIS 114           HA       HIS 114  14.472  21.604 -13.015
  887    HB2  HIS 114           2HB      HIS 114  11.613  20.851 -12.506
  888    HB3  HIS 114           1HB      HIS 114  12.010  22.038 -13.741
  889    HD1  HIS 114           1HD      HIS 114  11.759  18.447 -13.158
  890    HD2  HIS 114           2HD      HIS 114  13.679  20.954 -15.860
  891    HE1  HIS 114           1HE      HIS 114  12.366  16.995 -15.108
  892    HE2  HIS 114           2HE      HIS 114  13.282  18.584 -16.830
  893    H    HIS 115           HN       HIS 115  14.666  23.710 -13.285
  894    HA   HIS 115           HA       HIS 115  14.669  25.940 -12.908
  895    HB2  HIS 115           2HB      HIS 115  12.342  25.569 -13.770
  896    HB3  HIS 115           1HB      HIS 115  11.785  25.522 -12.102
  897    HD1  HIS 115           1HD      HIS 115  11.837  27.778 -10.776
  898    HD2  HIS 115           2HD      HIS 115  12.861  28.100 -14.789
  899    HE1  HIS 115           1HE      HIS 115  11.708  30.230 -11.308
  900    HE2  HIS 115           2HE      HIS 115  12.384  30.415 -13.728
  Start of MODEL    4
    1    H1   MET   1           H1       MET   1  -2.103  -3.741  24.709
    2    H2   MET   1           H2       MET   1  -2.452  -2.090  24.865
    3    H3   MET   1           H3       MET   1  -1.913  -2.706  23.380
    4    HA   MET   1           HA       MET   1  -4.488  -3.307  24.712
    5    HB2  MET   1           2HB      MET   1  -3.838  -1.851  22.137
    6    HB3  MET   1           1HB      MET   1  -5.460  -2.241  22.693
    7    HG2  MET   1           2HG      MET   1  -5.161  -0.801  24.623
    8    HG3  MET   1           1HG      MET   1  -3.509  -0.443  24.117
    9    HE1  MET   1           2HE      MET   1  -7.323  -0.022  23.307
   10    HE2  MET   1           3HE      MET   1  -6.726  -0.824  21.856
   11    HE3  MET   1           1HE      MET   1  -7.275   0.849  21.775
   12    H    GLN   2           HN       GLN   2  -5.840  -4.791  23.596
   13    HA   GLN   2           HA       GLN   2  -4.375  -6.738  22.031
   14    HB2  GLN   2           2HB      GLN   2  -6.901  -7.702  22.068
   15    HB3  GLN   2           1HB      GLN   2  -5.706  -8.037  23.304
   16    HG2  GLN   2           2HG      GLN   2  -7.747  -7.474  24.376
   17    HG3  GLN   2           1HG      GLN   2  -6.625  -6.139  24.616
   18   HE21  GLN   2          1HE2      GLN   2  -9.522  -7.197  23.000
   19   HE22  GLN   2          2HE2      GLN   2 -10.079  -5.624  22.538
   20    H    ALA   3           HN       ALA   3  -5.003  -7.402  19.926
   21    HA   ALA   3           HA       ALA   3  -6.454  -5.289  18.469
   22    HB1  ALA   3           1HB      ALA   3  -4.900  -5.588  16.615
   23    HB2  ALA   3           2HB      ALA   3  -4.012  -6.794  17.545
   24    HB3  ALA   3           3HB      ALA   3  -4.049  -5.116  18.085
   25    H    ILE   4           HN       ILE   4  -7.874  -5.874  17.010
   26    HA   ILE   4           HA       ILE   4  -9.081  -8.376  17.004
   27    HB   ILE   4           HB       ILE   4  -9.145  -6.282  14.826
   28   HG12  ILE   4          2HG1      ILE   4 -10.964  -6.687  17.212
   29   HG13  ILE   4          1HG1      ILE   4  -9.776  -5.399  17.036
   30   HG21  ILE   4          1HG2      ILE   4 -10.008  -8.415  14.031
   31   HG22  ILE   4          2HG2      ILE   4 -11.331  -7.267  14.240
   32   HG23  ILE   4          3HG2      ILE   4 -11.064  -8.534  15.437
   33   HD11  ILE   4          3HD1      ILE   4 -12.031  -4.614  16.572
   34   HD12  ILE   4          1HD1      ILE   4 -12.189  -5.813  15.287
   35   HD13  ILE   4          2HD1      ILE   4 -11.009  -4.511  15.137
   36    H    THR   5           HN       THR   5  -6.498  -7.072  15.021
   37    HA   THR   5           HA       THR   5  -6.493  -8.957  12.956
   38    HB   THR   5           HB       THR   5  -3.985  -8.315  12.844
   39    HG1  THR   5           1HG      THR   5  -3.306  -7.149  14.467
   40   HG21  THR   5          3HG2      THR   5  -5.702  -7.372  11.386
   41   HG22  THR   5          1HG2      THR   5  -4.544  -6.132  11.871
   42   HG23  THR   5          2HG2      THR   5  -6.130  -6.205  12.635
   43    H    GLU   6           HN       GLU   6  -5.120  -9.068  16.189
   44    HA   GLU   6           HA       GLU   6  -3.332 -11.197  15.832
   45    HB2  GLU   6           2HB      GLU   6  -4.901 -10.524  18.325
   46    HB3  GLU   6           1HB      GLU   6  -3.414 -11.455  18.248
   47    HG2  GLU   6           2HG      GLU   6  -2.199  -9.488  17.494
   48    HG3  GLU   6           1HG      GLU   6  -3.691  -8.551  17.510
   49    H    ARG   7           HN       ARG   7  -6.717 -11.187  16.901
   50    HA   ARG   7           HA       ARG   7  -6.850 -14.035  17.060
   51    HB2  ARG   7           2HB      ARG   7  -9.270 -13.697  17.412
   52    HB3  ARG   7           1HB      ARG   7  -8.283 -12.715  18.483
   53    HG2  ARG   7           2HG      ARG   7  -8.648 -10.803  16.899
   54    HG3  ARG   7           1HG      ARG   7  -9.828 -11.822  16.068
   55    HD2  ARG   7           2HD      ARG   7 -10.921 -10.348  17.676
   56    HD3  ARG   7           1HD      ARG   7 -11.106 -12.040  18.134
   57    HE   ARG   7           HE       ARG   7  -8.849 -10.755  19.375
   58   HH11  ARG   7          1HH1      ARG   7 -12.293 -11.357  19.619
   59   HH12  ARG   7          2HH1      ARG   7 -12.332 -11.147  21.346
   60   HH21  ARG   7          1HH2      ARG   7  -8.890 -10.485  21.627
   61   HH22  ARG   7          2HH2      ARG   7 -10.391 -10.660  22.496
   62    H    LEU   8           HN       LEU   8  -7.545 -11.652  14.594
   63    HA   LEU   8           HA       LEU   8  -8.952 -13.314  12.804
   64    HB2  LEU   8           2HB      LEU   8  -7.189 -10.919  12.307
   65    HB3  LEU   8           1HB      LEU   8  -8.102 -11.718  11.045
   66    HG   LEU   8           HG       LEU   8  -9.272 -10.339  13.459
   67   HD11  LEU   8          1HD1      LEU   8  -8.320  -8.798  11.813
   68   HD12  LEU   8          2HD1      LEU   8 -10.081  -8.698  11.852
   69   HD13  LEU   8          3HD1      LEU   8  -9.274  -9.566  10.546
   70   HD21  LEU   8          3HD2      LEU   8 -11.425 -10.720  12.344
   71   HD22  LEU   8          1HD2      LEU   8 -10.630 -12.237  12.771
   72   HD23  LEU   8          2HD2      LEU   8 -10.607 -11.668  11.103
   73    H    GLU   9           HN       GLU   9  -5.480 -12.493  12.933
   74    HA   GLU   9           HA       GLU   9  -4.561 -14.136  10.901
   75    HB2  GLU   9           2HB      GLU   9  -3.288 -13.378  13.531
   76    HB3  GLU   9           1HB      GLU   9  -2.427 -14.256  12.275
   77    HG2  GLU   9           2HG      GLU   9  -3.747 -11.642  11.672
   78    HG3  GLU   9           1HG      GLU   9  -2.165 -11.696  12.445
   79    H    ALA  10           HN       ALA  10  -5.308 -14.919  14.243
   80    HA   ALA  10           HA       ALA  10  -4.329 -17.563  14.238
   81    HB1  ALA  10           1HB      ALA  10  -4.779 -16.291  16.289
   82    HB2  ALA  10           2HB      ALA  10  -5.611 -17.846  16.285
   83    HB3  ALA  10           3HB      ALA  10  -6.507 -16.366  15.945
   84    H    MET  11           HN       MET  11  -7.626 -16.279  13.726
   85    HA   MET  11           HA       MET  11  -8.759 -18.873  13.458
   86    HB2  MET  11           2HB      MET  11 -10.806 -17.713  12.827
   87    HB3  MET  11           1HB      MET  11 -10.093 -17.001  14.261
   88    HG2  MET  11           2HG      MET  11  -9.303 -15.127  13.018
   89    HG3  MET  11           1HG      MET  11  -9.754 -15.884  11.493
   90    HE1  MET  11           3HE      MET  11 -13.650 -15.808  11.625
   91    HE2  MET  11           1HE      MET  11 -12.590 -17.125  12.129
   92    HE3  MET  11           2HE      MET  11 -12.227 -16.212  10.664
   93    H    LEU  12           HN       LEU  12  -7.465 -16.529  11.188
   94    HA   LEU  12           HA       LEU  12  -8.560 -17.814   8.881
   95    HB2  LEU  12           2HB      LEU  12  -6.583 -15.649   9.362
   96    HB3  LEU  12           1HB      LEU  12  -6.507 -16.475   7.821
   97    HG   LEU  12           HG       LEU  12  -7.815 -14.433   7.632
   98   HD11  LEU  12          1HD1      LEU  12  -9.845 -15.343   6.659
   99   HD12  LEU  12          2HD1      LEU  12  -9.566 -16.877   7.482
  100   HD13  LEU  12          3HD1      LEU  12  -8.444 -16.328   6.236
  101   HD21  LEU  12          3HD2      LEU  12  -9.662 -15.652   9.677
  102   HD22  LEU  12          1HD2      LEU  12  -9.922 -14.142   8.806
  103   HD23  LEU  12          2HD2      LEU  12  -8.587 -14.279   9.950
  104    H    ALA  13           HN       ALA  13  -5.337 -17.836  10.402
  105    HA   ALA  13           HA       ALA  13  -4.140 -19.415   8.388
  106    HB1  ALA  13           1HB      ALA  13  -2.863 -17.968   9.888
  107    HB2  ALA  13           2HB      ALA  13  -2.258 -19.624   9.915
  108    HB3  ALA  13           3HB      ALA  13  -3.253 -19.027  11.243
  109    H    GLN  14           HN       GLN  14  -6.151 -20.301  11.025
  110    HA   GLN  14           HA       GLN  14  -5.114 -23.039  11.039
  111    HB2  GLN  14           2HB      GLN  14  -7.053 -21.628  12.874
  112    HB3  GLN  14           1HB      GLN  14  -6.606 -23.322  13.023
  113    HG2  GLN  14           2HG      GLN  14  -4.687 -21.010  13.195
  114    HG3  GLN  14           1HG      GLN  14  -5.384 -21.859  14.572
  115   HE21  GLN  14          1HE2      GLN  14  -3.150 -22.057  11.912
  116   HE22  GLN  14          2HE2      GLN  14  -2.310 -23.461  12.460
  117    H    GLY  15           HN       GLY  15  -6.959 -21.645   8.986
  118    HA2  GLY  15           2HA      GLY  15  -8.616 -23.986   8.593
  119    HA3  GLY  15           1HA      GLY  15  -9.509 -22.508   8.914
  120    H    THR  16           HN       THR  16  -8.363 -20.594   7.571
  121    HA   THR  16           HA       THR  16  -7.997 -21.503   4.814
  122    HB   THR  16           HB       THR  16 -10.042 -19.399   5.554
  123    HG1  THR  16           1HG      THR  16 -10.365 -22.121   4.725
  124   HG21  THR  16          3HG2      THR  16  -9.393 -20.707   2.908
  125   HG22  THR  16          1HG2      THR  16  -9.004 -19.050   3.364
  126   HG23  THR  16          2HG2      THR  16 -10.689 -19.544   3.192
  127    H    ASP  17           HN       ASP  17  -5.842 -20.805   5.101
  128    HA   ASP  17           HA       ASP  17  -5.205 -18.109   5.815
  129    HB2  ASP  17           2HB      ASP  17  -3.544 -19.829   6.159
  130    HB3  ASP  17           1HB      ASP  17  -3.594 -20.288   4.461
  131    H    ASN  18           HN       ASN  18  -4.232 -19.609   2.772
  132    HA   ASN  18           HA       ASN  18  -4.333 -18.927   0.597
  133    HB2  ASN  18           2HB      ASN  18  -6.828 -19.272   1.344
  134    HB3  ASN  18           1HB      ASN  18  -6.916 -17.522   1.229
  135   HD21  ASN  18          1HD2      ASN  18  -8.279 -19.618  -0.303
  136   HD22  ASN  18          2HD2      ASN  18  -7.896 -19.304  -1.959
  137    H    MET  19           HN       MET  19  -5.330 -16.644  -0.625
  138    HA   MET  19           HA       MET  19  -3.899 -14.451   0.727
  139    HB2  MET  19           2HB      MET  19  -2.815 -15.215  -1.359
  140    HB3  MET  19           1HB      MET  19  -4.298 -14.906  -2.243
  141    HG2  MET  19           2HG      MET  19  -2.888 -12.726  -0.751
  142    HG3  MET  19           1HG      MET  19  -2.393 -13.197  -2.371
  143    HE1  MET  19           3HE      MET  19  -2.760 -10.696  -3.209
  144    HE2  MET  19           1HE      MET  19  -3.236 -10.239  -1.570
  145    HE3  MET  19           2HE      MET  19  -4.255  -9.804  -2.943
  146    H    LEU  20           HN       LEU  20  -6.751 -15.516  -0.934
  147    HA   LEU  20           HA       LEU  20  -7.852 -12.946  -1.469
  148    HB2  LEU  20           2HB      LEU  20  -9.170 -15.654  -1.457
  149    HB3  LEU  20           1HB      LEU  20  -9.852 -14.191  -2.143
  150    HG   LEU  20           HG       LEU  20  -7.309 -15.506  -3.102
  151   HD11  LEU  20          1HD1      LEU  20 -10.080 -15.545  -4.286
  152   HD12  LEU  20          2HD1      LEU  20  -9.244 -16.912  -3.548
  153   HD13  LEU  20          3HD1      LEU  20  -8.623 -16.200  -5.036
  154   HD21  LEU  20          3HD2      LEU  20  -7.530 -13.997  -5.004
  155   HD22  LEU  20          1HD2      LEU  20  -7.375 -13.100  -3.494
  156   HD23  LEU  20          2HD2      LEU  20  -8.953 -13.262  -4.265
  157    H    LEU  21           HN       LEU  21  -7.534 -14.421   1.451
  158    HA   LEU  21           HA       LEU  21  -9.942 -13.061   2.460
  159    HB2  LEU  21           2HB      LEU  21  -8.748 -15.663   3.396
  160    HB3  LEU  21           1HB      LEU  21  -9.872 -14.738   4.369
  161    HG   LEU  21           HG       LEU  21 -11.454 -14.933   2.329
  162   HD11  LEU  21          1HD1      LEU  21 -11.135 -16.955   0.995
  163   HD12  LEU  21          2HD1      LEU  21  -9.571 -17.218   1.765
  164   HD13  LEU  21          3HD1      LEU  21  -9.823 -15.802   0.744
  165   HD21  LEU  21          3HD2      LEU  21 -11.833 -15.995   4.489
  166   HD22  LEU  21          1HD2      LEU  21 -10.788 -17.336   4.022
  167   HD23  LEU  21          2HD2      LEU  21 -12.305 -17.062   3.164
  168    H    ARG  22           HN       ARG  22  -6.633 -14.066   3.153
  169    HA   ARG  22           HA       ARG  22  -6.598 -12.662   5.663
  170    HB2  ARG  22           2HB      ARG  22  -5.414 -14.838   5.169
  171    HB3  ARG  22           1HB      ARG  22  -4.269 -13.914   4.210
  172    HG2  ARG  22           2HG      ARG  22  -3.552 -12.690   6.154
  173    HG3  ARG  22           1HG      ARG  22  -4.795 -13.464   7.142
  174    HD2  ARG  22           2HD      ARG  22  -3.751 -15.622   6.821
  175    HD3  ARG  22           1HD      ARG  22  -2.561 -14.916   5.730
  176    HE   ARG  22           HE       ARG  22  -2.583 -13.720   8.352
  177   HH11  ARG  22          1HH1      ARG  22  -1.416 -16.457   6.491
  178   HH12  ARG  22          2HH1      ARG  22   0.071 -16.590   7.393
  179   HH21  ARG  22          1HH2      ARG  22  -0.654 -13.907   9.560
  180   HH22  ARG  22          2HH2      ARG  22   0.502 -15.147   9.142
  181    H    PHE  23           HN       PHE  23  -6.187 -11.674   2.480
  182    HA   PHE  23           HA       PHE  23  -4.065  -9.806   2.810
  183    HB2  PHE  23           2HB      PHE  23  -4.564  -9.011   0.654
  184    HB3  PHE  23           1HB      PHE  23  -4.999 -10.714   0.595
  185    HD1  PHE  23           2HD      PHE  23  -7.415 -11.360   0.697
  186    HD2  PHE  23           1HD      PHE  23  -6.152  -7.319   0.271
  187    HE1  PHE  23           2HE      PHE  23  -9.661 -10.745  -0.095
  188    HE2  PHE  23           1HE      PHE  23  -8.394  -6.698  -0.528
  189    HZ   PHE  23           HZ       PHE  23 -10.153  -8.413  -0.712
  190    H    THR  24           HN       THR  24  -7.501  -9.713   3.383
  191    HA   THR  24           HA       THR  24  -7.970  -6.975   3.405
  192    HB   THR  24           HB       THR  24  -9.293  -8.988   5.233
  193    HG1  THR  24           1HG      THR  24 -10.793  -8.821   3.198
  194   HG21  THR  24          3HG2      THR  24 -10.329  -6.451   3.962
  195   HG22  THR  24          1HG2      THR  24  -9.873  -6.636   5.657
  196   HG23  THR  24          2HG2      THR  24 -11.243  -7.537   5.008
  197    H    LEU  25           HN       LEU  25  -6.613  -9.058   5.871
  198    HA   LEU  25           HA       LEU  25  -6.697  -7.335   8.060
  199    HB2  LEU  25           2HB      LEU  25  -4.773  -9.524   7.320
  200    HB3  LEU  25           1HB      LEU  25  -4.636  -8.626   8.820
  201    HG   LEU  25           HG       LEU  25  -7.022  -9.364   9.323
  202   HD11  LEU  25          1HD1      LEU  25  -7.822 -11.367   8.209
  203   HD12  LEU  25          2HD1      LEU  25  -6.433 -11.337   7.121
  204   HD13  LEU  25          3HD1      LEU  25  -7.635 -10.047   7.054
  205   HD21  LEU  25          3HD2      LEU  25  -4.842 -11.435   9.127
  206   HD22  LEU  25          1HD2      LEU  25  -6.297 -11.569  10.115
  207   HD23  LEU  25          2HD2      LEU  25  -5.110 -10.311  10.459
  208    H    GLY  26           HN       GLY  26  -4.522  -7.439   5.316
  209    HA2  GLY  26           2HA      GLY  26  -2.433  -5.835   6.284
  210    HA3  GLY  26           1HA      GLY  26  -2.911  -5.966   4.597
  211    H    LYS  27           HN       LYS  27  -5.535  -4.938   4.824
  212    HA   LYS  27           HA       LYS  27  -5.184  -2.150   4.796
  213    HB2  LYS  27           2HB      LYS  27  -7.609  -3.911   5.088
  214    HB3  LYS  27           1HB      LYS  27  -7.743  -2.165   5.142
  215    HG2  LYS  27           2HG      LYS  27  -6.891  -1.986   2.891
  216    HG3  LYS  27           1HG      LYS  27  -6.626  -3.732   2.828
  217    HD2  LYS  27           2HD      LYS  27  -8.911  -4.200   2.846
  218    HD3  LYS  27           1HD      LYS  27  -9.330  -2.602   3.455
  219    HE2  LYS  27           2HE      LYS  27  -8.692  -1.625   1.304
  220    HE3  LYS  27           1HE      LYS  27  -8.274  -3.229   0.702
  221    HZ1  LYS  27           3HZ      LYS  27 -10.521  -2.456   0.041
  222    HZ2  LYS  27           1HZ      LYS  27 -10.973  -2.472   1.675
  223    HZ3  LYS  27           2HZ      LYS  27 -10.541  -3.918   0.904
  224    H    THR  28           HN       THR  28  -6.484  -4.338   7.243
  225    HA   THR  28           HA       THR  28  -7.302  -2.458   9.115
  226    HB   THR  28           HB       THR  28  -6.228  -5.176   9.847
  227    HG1  THR  28           1HG      THR  28  -8.561  -4.460   8.412
  228   HG21  THR  28          3HG2      THR  28  -8.036  -5.115  11.505
  229   HG22  THR  28          1HG2      THR  28  -8.509  -3.517  10.928
  230   HG23  THR  28          2HG2      THR  28  -6.941  -3.747  11.700
  231    H    TYR  29           HN       TYR  29  -4.174  -4.095   8.766
  232    HA   TYR  29           HA       TYR  29  -2.962  -3.021  11.053
  233    HB2  TYR  29           2HB      TYR  29  -1.822  -3.986   8.438
  234    HB3  TYR  29           1HB      TYR  29  -0.793  -3.372   9.725
  235    HD1  TYR  29           2HD      TYR  29  -1.309  -4.485  12.105
  236    HD2  TYR  29           1HD      TYR  29  -2.144  -6.270   8.336
  237    HE1  TYR  29           2HE      TYR  29  -1.278  -6.705  13.158
  238    HE2  TYR  29           1HE      TYR  29  -2.116  -8.501   9.377
  239    HH   TYR  29           HH       TYR  29  -1.138  -9.579  11.400
  240    H    ALA  30           HN       ALA  30  -3.185  -1.775   7.747
  241    HA   ALA  30           HA       ALA  30  -1.449   0.443   8.230
  242    HB1  ALA  30           1HB      ALA  30  -1.753  -0.478   5.993
  243    HB2  ALA  30           2HB      ALA  30  -2.196   1.229   6.031
  244    HB3  ALA  30           3HB      ALA  30  -3.453  -0.008   6.018
  245    H    GLU  31           HN       GLU  31  -4.960  -0.011   8.226
  246    HA   GLU  31           HA       GLU  31  -5.630   2.716   8.570
  247    HB2  GLU  31           2HB      GLU  31  -7.161   0.226   9.320
  248    HB3  GLU  31           1HB      GLU  31  -7.829   1.852   9.343
  249    HG2  GLU  31           2HG      GLU  31  -7.320   2.012   6.909
  250    HG3  GLU  31           1HG      GLU  31  -6.872   0.307   6.946
  251    H    HIS  32           HN       HIS  32  -4.755   0.158  10.802
  252    HA   HIS  32           HA       HIS  32  -5.358   1.817  13.111
  253    HB2  HIS  32           2HB      HIS  32  -4.350  -0.990  12.761
  254    HB3  HIS  32           1HB      HIS  32  -4.260  -0.189  14.324
  255    HD1  HIS  32           1HD      HIS  32  -6.357  -0.135  15.715
  256    HD2  HIS  32           2HD      HIS  32  -7.063  -1.328  11.791
  257    HE1  HIS  32           1HE      HIS  32  -8.738  -0.951  15.667
  258    HE2  HIS  32           2HE      HIS  32  -9.189  -1.517  13.250
  259    H    GLU  33           HN       GLU  33  -3.140   2.127  10.940
  260    HA   GLU  33           HA       GLU  33  -1.274   3.397  10.853
  261    HB2  GLU  33           2HB      GLU  33  -2.512   4.552  12.789
  262    HB3  GLU  33           1HB      GLU  33  -1.381   3.717  13.841
  263    HG2  GLU  33           2HG      GLU  33   0.472   4.862  12.896
  264    HG3  GLU  33           1HG      GLU  33  -0.524   5.528  11.602
  265    H    GLN  34           HN       GLN  34  -1.296   0.436  11.629
  266    HA   GLN  34           HA       GLN  34   1.455   0.310  12.657
  267    HB2  GLN  34           2HB      GLN  34  -0.496  -1.975  12.284
  268    HB3  GLN  34           1HB      GLN  34   1.052  -2.037  13.121
  269    HG2  GLN  34           2HG      GLN  34  -1.402  -0.517  13.967
  270    HG3  GLN  34           1HG      GLN  34  -0.743  -1.967  14.725
  271   HE21  GLN  34          1HE2      GLN  34  -1.252   0.756  15.765
  272   HE22  GLN  34          2HE2      GLN  34   0.256   1.278  16.430
  273    H    PHE  35           HN       PHE  35   2.032   1.203  10.566
  274    HA   PHE  35           HA       PHE  35   1.633  -0.167   8.134
  275    HB2  PHE  35           2HB      PHE  35   3.845   1.768   8.835
  276    HB3  PHE  35           1HB      PHE  35   3.283   1.358   7.219
  277    HD1  PHE  35           2HD      PHE  35   0.926   1.996   6.570
  278    HD2  PHE  35           1HD      PHE  35   2.850   3.484  10.059
  279    HE1  PHE  35           2HE      PHE  35  -0.687   3.848   6.664
  280    HE2  PHE  35           1HE      PHE  35   1.239   5.340  10.158
  281    HZ   PHE  35           HZ       PHE  35  -0.531   5.527   8.459
  282    H    ASP  36           HN       ASP  36   4.185  -0.251  10.550
  283    HA   ASP  36           HA       ASP  36   6.158  -1.586   9.091
  284    HB2  ASP  36           2HB      ASP  36   6.340  -0.518  11.406
  285    HB3  ASP  36           1HB      ASP  36   5.682  -2.024  12.036
  286    H    ALA  37           HN       ALA  37   3.548  -2.886  11.087
  287    HA   ALA  37           HA       ALA  37   4.328  -5.614  10.748
  288    HB1  ALA  37           1HB      ALA  37   3.069  -4.859  12.708
  289    HB2  ALA  37           2HB      ALA  37   2.223  -6.145  11.848
  290    HB3  ALA  37           3HB      ALA  37   1.692  -4.473  11.669
  291    H    ALA  38           HN       ALA  38   2.299  -3.401   9.025
  292    HA   ALA  38           HA       ALA  38   0.824  -5.337   7.557
  293    HB1  ALA  38           1HB      ALA  38   0.127  -3.470   6.164
  294    HB2  ALA  38           2HB      ALA  38   1.352  -2.442   6.906
  295    HB3  ALA  38           3HB      ALA  38   0.013  -3.057   7.874
  296    H    LEU  39           HN       LEU  39   3.860  -3.641   7.026
  297    HA   LEU  39           HA       LEU  39   4.140  -3.879   4.299
  298    HB2  LEU  39           2HB      LEU  39   6.213  -3.924   6.476
  299    HB3  LEU  39           1HB      LEU  39   6.627  -3.871   4.774
  300    HG   LEU  39           HG       LEU  39   4.948  -1.793   6.173
  301   HD11  LEU  39          1HD1      LEU  39   7.222  -1.778   7.041
  302   HD12  LEU  39          2HD1      LEU  39   6.931  -0.366   6.025
  303   HD13  LEU  39          3HD1      LEU  39   7.863  -1.729   5.400
  304   HD21  LEU  39          3HD2      LEU  39   6.232  -1.836   3.445
  305   HD22  LEU  39          1HD2      LEU  39   5.338  -0.487   4.149
  306   HD23  LEU  39          2HD2      LEU  39   4.509  -1.998   3.782
  307    HA   PRO  40           HA       PRO  40   6.359  -8.097   4.557
  308    HB2  PRO  40           2HB      PRO  40   6.331  -9.547   6.836
  309    HB3  PRO  40           1HB      PRO  40   7.558  -8.314   6.518
  310    HG2  PRO  40           2HG      PRO  40   5.086  -8.142   8.196
  311    HG3  PRO  40           1HG      PRO  40   6.716  -7.533   8.539
  312    HD2  PRO  40           2HD      PRO  40   4.693  -5.952   7.624
  313    HD3  PRO  40           1HD      PRO  40   6.407  -5.637   7.286
  314    H    HIS  41           HN       HIS  41   3.433  -7.684   6.388
  315    HA   HIS  41           HA       HIS  41   2.341 -10.275   5.898
  316    HB2  HIS  41           2HB      HIS  41   1.696  -8.707   7.780
  317    HB3  HIS  41           1HB      HIS  41   0.833  -7.745   6.586
  318    HD1  HIS  41           1HD      HIS  41  -1.452  -8.586   5.835
  319    HD2  HIS  41           2HD      HIS  41   0.533 -11.233   8.341
  320    HE1  HIS  41           1HE      HIS  41  -3.170 -10.290   6.510
  321    HE2  HIS  41           2HE      HIS  41  -2.002 -11.725   8.223
  322    H    LEU  42           HN       LEU  42   1.898  -7.069   4.448
  323    HA   LEU  42           HA       LEU  42  -0.064  -7.926   2.564
  324    HB2  LEU  42           2HB      LEU  42   0.135  -5.602   3.367
  325    HB3  LEU  42           1HB      LEU  42   1.679  -5.461   2.551
  326    HG   LEU  42           HG       LEU  42   0.543  -5.786   0.380
  327   HD11  LEU  42          1HD1      LEU  42  -1.981  -5.685   2.023
  328   HD12  LEU  42          2HD1      LEU  42  -1.363  -7.094   1.161
  329   HD13  LEU  42          3HD1      LEU  42  -1.891  -5.671   0.261
  330   HD21  LEU  42          3HD2      LEU  42  -0.576  -3.559   2.079
  331   HD22  LEU  42          1HD2      LEU  42  -0.547  -3.599   0.316
  332   HD23  LEU  42          2HD2      LEU  42   0.965  -3.538   1.220
  333    H    ARG  43           HN       ARG  43   3.439  -7.330   2.372
  334    HA   ARG  43           HA       ARG  43   3.644  -7.752  -0.405
  335    HB2  ARG  43           2HB      ARG  43   5.406  -6.693   1.062
  336    HB3  ARG  43           1HB      ARG  43   5.832  -8.316   1.599
  337    HG2  ARG  43           2HG      ARG  43   6.407  -8.952  -0.660
  338    HG3  ARG  43           1HG      ARG  43   5.875  -7.383  -1.265
  339    HD2  ARG  43           2HD      ARG  43   7.625  -6.338   0.200
  340    HD3  ARG  43           1HD      ARG  43   8.224  -7.965   0.531
  341    HE   ARG  43           HE       ARG  43   8.035  -7.607  -2.254
  342   HH11  ARG  43          1HH1      ARG  43   9.975  -6.539   0.467
  343   HH12  ARG  43          2HH1      ARG  43  11.359  -6.167  -0.505
  344   HH21  ARG  43          1HH2      ARG  43   9.848  -7.132  -3.528
  345   HH22  ARG  43          2HH2      ARG  43  11.298  -6.510  -2.791
  346    H    ALA  44           HN       ALA  44   3.636  -9.963   2.313
  347    HA   ALA  44           HA       ALA  44   4.450 -12.298   0.991
  348    HB1  ALA  44           1HB      ALA  44   3.329 -13.513   2.767
  349    HB2  ALA  44           2HB      ALA  44   2.434 -12.065   3.225
  350    HB3  ALA  44           3HB      ALA  44   4.184 -12.123   3.436
  351    H    ALA  45           HN       ALA  45   1.271 -10.771   1.292
  352    HA   ALA  45           HA       ALA  45  -0.195 -12.755  -0.072
  353    HB1  ALA  45           1HB      ALA  45  -0.771  -9.804   0.152
  354    HB2  ALA  45           2HB      ALA  45  -1.257 -11.044   1.309
  355    HB3  ALA  45           3HB      ALA  45  -1.921 -11.053  -0.325
  356    H    LEU  46           HN       LEU  46   1.555  -9.894  -1.163
  357    HA   LEU  46           HA       LEU  46   0.783 -10.031  -3.881
  358    HB2  LEU  46           2HB      LEU  46   3.117  -8.773  -2.470
  359    HB3  LEU  46           1HB      LEU  46   2.957  -8.710  -4.216
  360    HG   LEU  46           HG       LEU  46   0.917  -7.628  -2.269
  361   HD11  LEU  46          1HD1      LEU  46   2.974  -6.340  -2.167
  362   HD12  LEU  46          2HD1      LEU  46   1.709  -5.425  -2.985
  363   HD13  LEU  46          3HD1      LEU  46   2.987  -6.194  -3.925
  364   HD21  LEU  46          3HD2      LEU  46   1.162  -7.412  -5.267
  365   HD22  LEU  46          1HD2      LEU  46  -0.022  -6.559  -4.275
  366   HD23  LEU  46          2HD2      LEU  46  -0.062  -8.320  -4.379
  367    H    ASP  47           HN       ASP  47   3.163 -11.724  -2.015
  368    HA   ASP  47           HA       ASP  47   4.709 -12.734  -4.164
  369    HB2  ASP  47           2HB      ASP  47   5.368 -12.783  -1.736
  370    HB3  ASP  47           1HB      ASP  47   4.198 -14.073  -1.499
  371    H    PHE  48           HN       PHE  48   1.817 -13.840  -2.509
  372    HA   PHE  48           HA       PHE  48   1.621 -16.268  -4.035
  373    HB2  PHE  48           2HB      PHE  48  -0.354 -14.877  -2.222
  374    HB3  PHE  48           1HB      PHE  48  -0.668 -16.418  -3.009
  375    HD1  PHE  48           1HD      PHE  48   1.106 -18.279  -2.572
  376    HD2  PHE  48           2HD      PHE  48   0.548 -14.858  -0.106
  377    HE1  PHE  48           1HE      PHE  48   2.159 -19.466  -0.689
  378    HE2  PHE  48           2HE      PHE  48   1.607 -16.032   1.775
  379    HZ   PHE  48           HZ       PHE  48   2.413 -18.340   1.487
  380    H    ASP  49           HN       ASP  49   0.006 -13.103  -4.107
  381    HA   ASP  49           HA       ASP  49  -0.939 -13.757  -6.817
  382    HB2  ASP  49           2HB      ASP  49  -2.770 -13.964  -5.043
  383    HB3  ASP  49           1HB      ASP  49  -2.639 -12.218  -4.854
  384    HA   PRO  50           HA       PRO  50   1.285  -9.757  -6.850
  385    HB2  PRO  50           2HB      PRO  50   2.524 -10.131  -9.214
  386    HB3  PRO  50           1HB      PRO  50   3.124 -10.846  -7.714
  387    HG2  PRO  50           2HG      PRO  50   1.529 -12.105  -9.907
  388    HG3  PRO  50           1HG      PRO  50   2.896 -12.769  -8.994
  389    HD2  PRO  50           2HD      PRO  50   0.275 -13.372  -8.475
  390    HD3  PRO  50           1HD      PRO  50   1.563 -13.435  -7.258
  391    H    THR  51           HN       THR  51  -1.238 -11.060  -8.592
  392    HA   THR  51           HA       THR  51  -1.346  -9.060 -10.683
  393    HB   THR  51           HB       THR  51  -3.477 -11.095 -10.022
  394    HG1  THR  51           1HG      THR  51  -2.230 -12.616 -10.833
  395   HG21  THR  51          3HG2      THR  51  -4.084  -9.358 -11.649
  396   HG22  THR  51          1HG2      THR  51  -3.966 -10.943 -12.418
  397   HG23  THR  51          2HG2      THR  51  -2.664  -9.769 -12.613
  398    H    TYR  52           HN       TYR  52  -2.328  -9.279  -7.457
  399    HA   TYR  52           HA       TYR  52  -4.798  -7.858  -7.672
  400    HB2  TYR  52           2HB      TYR  52  -4.243  -9.388  -5.775
  401    HB3  TYR  52           1HB      TYR  52  -3.086  -8.191  -5.204
  402    HD1  TYR  52           2HD      TYR  52  -6.552  -7.807  -6.550
  403    HD2  TYR  52           1HD      TYR  52  -3.931  -7.309  -3.237
  404    HE1  TYR  52           2HE      TYR  52  -8.342  -6.667  -5.314
  405    HE2  TYR  52           1HE      TYR  52  -5.715  -6.161  -1.993
  406    HH   TYR  52           HH       TYR  52  -8.992  -6.089  -3.123
  407    H    SER  53           HN       SER  53  -4.569  -5.993  -8.711
  408    HA   SER  53           HA       SER  53  -2.435  -4.219  -8.608
  409    HB2  SER  53           2HB      SER  53  -4.216  -2.624  -9.606
  410    HB3  SER  53           1HB      SER  53  -3.811  -4.100 -10.490
  411    HG   SER  53           HG       SER  53  -6.079  -3.812 -10.316
  412    H    VAL  54           HN       VAL  54  -5.418  -4.262  -6.730
  413    HA   VAL  54           HA       VAL  54  -5.318  -1.677  -5.693
  414    HB   VAL  54           HB       VAL  54  -6.372  -4.143  -4.293
  415   HG11  VAL  54          1HG1      VAL  54  -7.053  -1.225  -3.924
  416   HG12  VAL  54          2HG1      VAL  54  -6.164  -2.240  -2.786
  417   HG13  VAL  54          3HG1      VAL  54  -7.861  -2.576  -3.130
  418   HG21  VAL  54          3HG2      VAL  54  -7.346  -3.923  -6.511
  419   HG22  VAL  54          1HG2      VAL  54  -7.748  -2.237  -6.188
  420   HG23  VAL  54          2HG2      VAL  54  -8.543  -3.521  -5.278
  421    H    ALA  55           HN       ALA  55  -3.654  -4.597  -4.676
  422    HA   ALA  55           HA       ALA  55  -2.779  -3.623  -2.161
  423    HB1  ALA  55           1HB      ALA  55  -2.867  -6.000  -2.606
  424    HB2  ALA  55           2HB      ALA  55  -1.220  -5.526  -2.196
  425    HB3  ALA  55           3HB      ALA  55  -1.657  -5.832  -3.877
  426    H    TRP  56           HN       TRP  56  -1.552  -3.291  -5.418
  427    HA   TRP  56           HA       TRP  56   1.114  -2.610  -4.862
  428    HB2  TRP  56           2HB      TRP  56  -0.591  -1.406  -7.055
  429    HB3  TRP  56           1HB      TRP  56   1.162  -1.524  -7.026
  430    HD1  TRP  56           1HD      TRP  56   0.797  -4.778  -6.024
  431    HE1  TRP  56           1HE      TRP  56   0.406  -6.469  -7.920
  432    HE3  TRP  56           3HE      TRP  56  -0.735  -1.544  -9.664
  433    HZ2  TRP  56           2HZ      TRP  56  -0.445  -6.430 -10.611
  434    HZ3  TRP  56           3HZ      TRP  56  -1.325  -2.452 -11.870
  435    HH2  TRP  56           2HH      TRP  56  -1.184  -4.844 -12.338
  436    H    LYS  57           HN       LYS  57  -1.803  -0.648  -5.103
  437    HA   LYS  57           HA       LYS  57  -0.598   1.852  -4.593
  438    HB2  LYS  57           2HB      LYS  57  -2.699   1.789  -5.700
  439    HB3  LYS  57           1HB      LYS  57  -3.438   0.864  -4.414
  440    HG2  LYS  57           2HG      LYS  57  -3.178   2.841  -2.924
  441    HG3  LYS  57           1HG      LYS  57  -2.591   3.747  -4.322
  442    HD2  LYS  57           2HD      LYS  57  -4.704   3.313  -5.488
  443    HD3  LYS  57           1HD      LYS  57  -5.292   2.417  -4.086
  444    HE2  LYS  57           2HE      LYS  57  -5.020   4.480  -2.729
  445    HE3  LYS  57           1HE      LYS  57  -4.583   5.344  -4.200
  446    HZ1  LYS  57           3HZ      LYS  57  -6.884   5.705  -3.711
  447    HZ2  LYS  57           1HZ      LYS  57  -7.190   4.038  -3.620
  448    HZ3  LYS  57           2HZ      LYS  57  -6.786   4.746  -5.104
  449    H    TRP  58           HN       TRP  58  -1.994  -0.598  -2.475
  450    HA   TRP  58           HA       TRP  58  -1.964   1.008  -0.121
  451    HB2  TRP  58           2HB      TRP  58  -2.281  -1.919  -0.664
  452    HB3  TRP  58           1HB      TRP  58  -2.018  -1.369   0.985
  453    HD1  TRP  58           1HD      TRP  58  -4.651  -1.484  -1.753
  454    HE1  TRP  58           1HE      TRP  58  -6.909  -0.720  -0.774
  455    HE3  TRP  58           3HE      TRP  58  -3.037   0.219   2.790
  456    HZ2  TRP  58           2HZ      TRP  58  -7.872   0.451   1.599
  457    HZ3  TRP  58           3HZ      TRP  58  -4.690   1.149   4.353
  458    HH2  TRP  58           2HH      TRP  58  -7.060   1.265   3.771
  459    H    LEU  59           HN       LEU  59   0.341  -1.195  -1.597
  460    HA   LEU  59           HA       LEU  59   2.024  -1.659   0.575
  461    HB2  LEU  59           2HB      LEU  59   1.972  -2.708  -1.778
  462    HB3  LEU  59           1HB      LEU  59   2.999  -1.376  -2.260
  463    HG   LEU  59           HG       LEU  59   4.184  -3.533  -1.764
  464   HD11  LEU  59          1HD1      LEU  59   4.979  -1.174  -0.072
  465   HD12  LEU  59          2HD1      LEU  59   5.391  -1.421  -1.768
  466   HD13  LEU  59          3HD1      LEU  59   6.026  -2.514  -0.537
  467   HD21  LEU  59          3HD2      LEU  59   4.567  -4.101   0.597
  468   HD22  LEU  59          1HD2      LEU  59   2.876  -4.276   0.126
  469   HD23  LEU  59          2HD2      LEU  59   3.389  -2.875   1.065
  470    H    GLY  60           HN       GLY  60   2.107   0.948  -1.828
  471    HA2  GLY  60           2HA      GLY  60   4.449   2.203  -0.868
  472    HA3  GLY  60           1HA      GLY  60   3.195   2.975  -1.830
  473    H    LYS  61           HN       LYS  61   1.078   2.472   0.085
  474    HA   LYS  61           HA       LYS  61   1.278   4.829   1.612
  475    HB2  LYS  61           2HB      LYS  61  -0.611   2.487   1.734
  476    HB3  LYS  61           1HB      LYS  61  -0.768   3.875   2.800
  477    HG2  LYS  61           2HG      LYS  61  -1.132   5.336   0.920
  478    HG3  LYS  61           1HG      LYS  61  -0.824   4.013  -0.209
  479    HD2  LYS  61           2HD      LYS  61  -3.238   4.491   0.105
  480    HD3  LYS  61           1HD      LYS  61  -2.791   2.845   0.554
  481    HE2  LYS  61           2HE      LYS  61  -4.286   3.683   2.218
  482    HE3  LYS  61           1HE      LYS  61  -2.678   3.598   2.929
  483    HZ1  LYS  61           3HZ      LYS  61  -2.459   6.013   2.430
  484    HZ2  LYS  61           1HZ      LYS  61  -3.669   5.644   3.563
  485    HZ3  LYS  61           2HZ      LYS  61  -4.090   6.024   1.966
  486    H    THR  62           HN       THR  62   1.771   1.423   2.437
  487    HA   THR  62           HA       THR  62   2.069   1.891   5.213
  488    HB   THR  62           HB       THR  62   3.284  -0.479   4.826
  489    HG1  THR  62           1HG      THR  62   3.113  -0.435   2.573
  490   HG21  THR  62          3HG2      THR  62   1.316  -0.078   6.212
  491   HG22  THR  62          1HG2      THR  62   1.083  -1.498   5.193
  492   HG23  THR  62          2HG2      THR  62   0.314   0.029   4.764
  493    H    LEU  63           HN       LEU  63   4.311   1.774   2.494
  494    HA   LEU  63           HA       LEU  63   6.673   1.833   4.082
  495    HB2  LEU  63           2HB      LEU  63   6.104   2.511   1.213
  496    HB3  LEU  63           1HB      LEU  63   7.682   2.811   1.917
  497    HG   LEU  63           HG       LEU  63   6.337   0.114   1.732
  498   HD11  LEU  63          1HD1      LEU  63   8.074  -0.382   0.091
  499   HD12  LEU  63          2HD1      LEU  63   8.663   1.277   0.212
  500   HD13  LEU  63          3HD1      LEU  63   7.055   0.956  -0.435
  501   HD21  LEU  63          3HD2      LEU  63   9.096   0.878   2.685
  502   HD22  LEU  63          1HD2      LEU  63   8.484  -0.765   2.497
  503   HD23  LEU  63          2HD2      LEU  63   7.771   0.309   3.701
  504    H    GLN  64           HN       GLN  64   4.537   4.286   2.775
  505    HA   GLN  64           HA       GLN  64   6.080   6.567   3.274
  506    HB2  GLN  64           2HB      GLN  64   3.951   6.527   1.989
  507    HB3  GLN  64           1HB      GLN  64   3.075   6.291   3.493
  508    HG2  GLN  64           2HG      GLN  64   2.912   8.586   2.879
  509    HG3  GLN  64           1HG      GLN  64   3.960   8.470   4.291
  510   HE21  GLN  64          1HE2      GLN  64   4.939   7.646   1.035
  511   HE22  GLN  64          2HE2      GLN  64   6.047   8.952   0.833
  512    H    GLY  65           HN       GLY  65   4.048   4.630   5.377
  513    HA2  GLY  65           2HA      GLY  65   3.947   6.394   7.579
  514    HA3  GLY  65           1HA      GLY  65   3.671   4.662   7.638
  515    H    GLN  66           HN       GLN  66   6.521   4.441   6.405
  516    HA   GLN  66           HA       GLN  66   7.878   4.205   8.933
  517    HB2  GLN  66           2HB      GLN  66   8.761   3.744   6.086
  518    HB3  GLN  66           1HB      GLN  66   9.835   3.543   7.464
  519    HG2  GLN  66           2HG      GLN  66   7.258   2.045   7.057
  520    HG3  GLN  66           1HG      GLN  66   8.861   1.427   6.663
  521   HE21  GLN  66          1HE2      GLN  66   6.890   0.395   8.535
  522   HE22  GLN  66          2HE2      GLN  66   7.674   0.333  10.075
  523    H    GLY  67           HN       GLY  67   7.442   6.670   6.651
  524    HA2  GLY  67           2HA      GLY  67   8.155   8.887   6.969
  525    HA3  GLY  67           1HA      GLY  67   9.422   8.310   8.040
  526    H    ASP  68           HN       ASP  68   9.540   6.330   5.461
  527    HA   ASP  68           HA       ASP  68  11.816   7.794   4.379
  528    HB2  ASP  68           2HB      ASP  68  12.009   5.375   5.117
  529    HB3  ASP  68           1HB      ASP  68  10.984   4.955   3.747
  530    H    ARG  69           HN       ARG  69  10.884   9.286   3.075
  531    HA   ARG  69           HA       ARG  69   8.669   8.828   1.410
  532    HB2  ARG  69           2HB      ARG  69   9.211  10.997   0.390
  533    HB3  ARG  69           1HB      ARG  69   9.265  11.064   2.144
  534    HG2  ARG  69           2HG      ARG  69  11.715  10.919   2.066
  535    HG3  ARG  69           1HG      ARG  69  11.645  10.880   0.305
  536    HD2  ARG  69           2HD      ARG  69  10.591  13.093   0.304
  537    HD3  ARG  69           1HD      ARG  69  10.668  13.129   2.065
  538    HE   ARG  69           HE       ARG  69  13.243  12.683   0.943
  539   HH11  ARG  69          1HH1      ARG  69  10.875  15.208   1.504
  540   HH12  ARG  69          2HH1      ARG  69  12.052  16.486   1.557
  541   HH21  ARG  69          1HH2      ARG  69  14.803  14.352   1.064
  542   HH22  ARG  69          2HH2      ARG  69  14.287  15.990   1.325
  543    H    ALA  70           HN       ALA  70  12.091   8.386   0.872
  544    HA   ALA  70           HA       ALA  70  11.999   8.345  -1.966
  545    HB1  ALA  70           1HB      ALA  70  14.062   8.740  -0.674
  546    HB2  ALA  70           2HB      ALA  70  14.240   7.446  -1.858
  547    HB3  ALA  70           3HB      ALA  70  14.037   7.055  -0.149
  548    H    GLY  71           HN       GLY  71  12.061   5.752   0.458
  549    HA2  GLY  71           2HA      GLY  71  11.928   3.654  -1.465
  550    HA3  GLY  71           1HA      GLY  71  11.626   3.506   0.263
  551    H    ALA  72           HN       ALA  72   9.539   5.425   0.400
  552    HA   ALA  72           HA       ALA  72   7.308   3.846  -0.139
  553    HB1  ALA  72           1HB      ALA  72   7.426   6.833   0.234
  554    HB2  ALA  72           2HB      ALA  72   7.309   5.630   1.519
  555    HB3  ALA  72           3HB      ALA  72   5.982   5.831   0.374
  556    H    ARG  73           HN       ARG  73   8.538   6.690  -1.931
  557    HA   ARG  73           HA       ARG  73   6.495   6.469  -3.902
  558    HB2  ARG  73           2HB      ARG  73   7.683   8.160  -5.167
  559    HB3  ARG  73           1HB      ARG  73   7.559   8.621  -3.481
  560    HG2  ARG  73           2HG      ARG  73   9.895   7.928  -3.147
  561    HG3  ARG  73           1HG      ARG  73  10.001   7.543  -4.868
  562    HD2  ARG  73           2HD      ARG  73   9.444   9.867  -5.417
  563    HD3  ARG  73           1HD      ARG  73   9.344  10.247  -3.700
  564    HE   ARG  73           HE       ARG  73  11.871   9.192  -4.719
  565   HH11  ARG  73          1HH1      ARG  73   9.990  11.963  -3.683
  566   HH12  ARG  73          2HH1      ARG  73  11.375  12.972  -3.426
  567   HH21  ARG  73          1HH2      ARG  73  13.704  10.530  -4.376
  568   HH22  ARG  73          2HH2      ARG  73  13.480  12.161  -3.793
  569    H    GLN  74           HN       GLN  74   9.781   5.227  -3.660
  570    HA   GLN  74           HA       GLN  74  10.080   4.256  -6.254
  571    HB2  GLN  74           2HB      GLN  74  11.095   3.318  -3.595
  572    HB3  GLN  74           1HB      GLN  74  11.427   2.385  -5.049
  573    HG2  GLN  74           2HG      GLN  74  12.130   5.288  -4.680
  574    HG3  GLN  74           1HG      GLN  74  13.240   3.940  -4.434
  575   HE21  GLN  74          1HE2      GLN  74  13.285   6.185  -6.355
  576   HE22  GLN  74          2HE2      GLN  74  13.387   5.452  -7.920
  577    H    ALA  75           HN       ALA  75   8.366   2.845  -3.501
  578    HA   ALA  75           HA       ALA  75   7.694   0.390  -4.709
  579    HB1  ALA  75           1HB      ALA  75   5.949   0.230  -3.014
  580    HB2  ALA  75           2HB      ALA  75   6.146   1.941  -2.634
  581    HB3  ALA  75           3HB      ALA  75   7.457   0.807  -2.307
  582    H    TRP  76           HN       TRP  76   6.077   3.527  -4.683
  583    HA   TRP  76           HA       TRP  76   3.784   2.711  -6.120
  584    HB2  TRP  76           2HB      TRP  76   5.053   5.416  -5.696
  585    HB3  TRP  76           1HB      TRP  76   3.570   5.198  -6.614
  586    HD1  TRP  76           1HD      TRP  76   2.086   3.135  -4.727
  587    HE1  TRP  76           1HE      TRP  76   1.171   3.923  -2.458
  588    HE3  TRP  76           3HE      TRP  76   5.028   7.257  -4.060
  589    HZ2  TRP  76           2HZ      TRP  76   1.645   6.010  -0.621
  590    HZ3  TRP  76           3HZ      TRP  76   4.736   8.593  -2.017
  591    HH2  TRP  76           2HH      TRP  76   3.078   7.983  -0.333
  592    H    GLU  77           HN       GLU  77   6.911   4.053  -7.097
  593    HA   GLU  77           HA       GLU  77   6.349   4.331  -9.840
  594    HB2  GLU  77           2HB      GLU  77   8.961   3.810  -8.412
  595    HB3  GLU  77           1HB      GLU  77   8.843   4.166 -10.129
  596    HG2  GLU  77           2HG      GLU  77   7.709   6.319  -9.492
  597    HG3  GLU  77           1HG      GLU  77   8.144   5.960  -7.820
  598    H    SER  78           HN       SER  78   7.502   1.581  -7.947
  599    HA   SER  78           HA       SER  78   7.917  -0.145 -10.163
  600    HB2  SER  78           2HB      SER  78   7.330  -0.813  -7.269
  601    HB3  SER  78           1HB      SER  78   7.916  -1.953  -8.482
  602    HG   SER  78           HG       SER  78   9.486   0.224  -8.469
  603    H    GLY  79           HN       GLY  79   5.177   0.362  -7.967
  604    HA2  GLY  79           2HA      GLY  79   3.491  -1.606  -9.118
  605    HA3  GLY  79           1HA      GLY  79   2.966  -0.246  -8.136
  606    H    LEU  80           HN       LEU  80   4.211   1.695  -9.949
  607    HA   LEU  80           HA       LEU  80   2.073   2.263 -11.656
  608    HB2  LEU  80           2HB      LEU  80   4.165   3.668 -10.808
  609    HB3  LEU  80           1HB      LEU  80   4.813   3.189 -12.358
  610    HG   LEU  80           HG       LEU  80   2.829   4.200 -13.465
  611   HD11  LEU  80          1HD1      LEU  80   2.231   5.201 -10.685
  612   HD12  LEU  80          2HD1      LEU  80   1.263   4.059 -11.617
  613   HD13  LEU  80          3HD1      LEU  80   1.425   5.727 -12.163
  614   HD21  LEU  80          3HD2      LEU  80   4.398   6.074 -11.696
  615   HD22  LEU  80          1HD2      LEU  80   3.555   6.501 -13.184
  616   HD23  LEU  80          2HD2      LEU  80   4.947   5.420 -13.239
  617    H    ALA  81           HN       ALA  81   5.256   0.896 -12.356
  618    HA   ALA  81           HA       ALA  81   4.817   0.409 -15.102
  619    HB1  ALA  81           1HB      ALA  81   6.745  -1.075 -14.977
  620    HB2  ALA  81           2HB      ALA  81   6.661  -1.056 -13.214
  621    HB3  ALA  81           3HB      ALA  81   7.049   0.422 -14.097
  622    H    ALA  82           HN       ALA  82   4.065  -1.474 -12.239
  623    HA   ALA  82           HA       ALA  82   3.375  -3.884 -13.541
  624    HB1  ALA  82           1HB      ALA  82   3.752  -3.744 -11.116
  625    HB2  ALA  82           2HB      ALA  82   2.179  -4.447 -11.489
  626    HB3  ALA  82           3HB      ALA  82   2.289  -2.773 -10.949
  627    H    ALA  83           HN       ALA  83   1.543  -0.996 -12.671
  628    HA   ALA  83           HA       ALA  83  -0.946  -1.910 -13.701
  629    HB1  ALA  83           1HB      ALA  83  -1.680   0.393 -13.465
  630    HB2  ALA  83           2HB      ALA  83  -0.013   0.924 -13.246
  631    HB3  ALA  83           3HB      ALA  83  -0.777  -0.110 -12.036
  632    H    GLN  84           HN       GLN  84   1.667   0.088 -15.013
  633    HA   GLN  84           HA       GLN  84   0.551   0.738 -17.482
  634    HB2  GLN  84           2HB      GLN  84   3.375   0.318 -16.548
  635    HB3  GLN  84           1HB      GLN  84   3.031   0.717 -18.219
  636    HG2  GLN  84           2HG      GLN  84   2.010   2.397 -15.966
  637    HG3  GLN  84           1HG      GLN  84   3.633   2.610 -16.621
  638   HE21  GLN  84          1HE2      GLN  84   0.226   2.918 -17.244
  639   HE22  GLN  84          2HE2      GLN  84   0.377   3.873 -18.677
  640    H    SER  85           HN       SER  85   2.496  -2.074 -16.527
  641    HA   SER  85           HA       SER  85   2.621  -3.360 -18.994
  642    HB2  SER  85           2HB      SER  85   3.956  -4.014 -17.040
  643    HB3  SER  85           1HB      SER  85   2.500  -4.589 -16.231
  644    HG   SER  85           HG       SER  85   2.349  -6.260 -17.639
  645    H    ARG  86           HN       ARG  86   0.098  -3.466 -16.534
  646    HA   ARG  86           HA       ARG  86  -1.417  -5.463 -17.962
  647    HB2  ARG  86           2HB      ARG  86  -1.848  -3.915 -15.430
  648    HB3  ARG  86           1HB      ARG  86  -3.132  -4.887 -16.131
  649    HG2  ARG  86           2HG      ARG  86  -0.421  -5.917 -15.325
  650    HG3  ARG  86           1HG      ARG  86  -1.903  -6.079 -14.383
  651    HD2  ARG  86           2HD      ARG  86  -2.920  -7.301 -16.278
  652    HD3  ARG  86           1HD      ARG  86  -1.375  -7.221 -17.117
  653    HE   ARG  86           HE       ARG  86  -0.592  -8.417 -14.916
  654   HH11  ARG  86          1HH1      ARG  86  -3.514  -8.991 -16.774
  655   HH12  ARG  86          2HH1      ARG  86  -3.630 -10.664 -16.295
  656   HH21  ARG  86          1HH2      ARG  86  -0.741 -10.598 -14.310
  657   HH22  ARG  86          2HH2      ARG  86  -2.041 -11.579 -14.917
  658    H    GLY  87           HN       GLY  87  -1.103  -2.103 -18.122
  659    HA2  GLY  87           2HA      GLY  87  -2.193  -0.600 -19.514
  660    HA3  GLY  87           1HA      GLY  87  -3.310  -1.881 -19.964
  661    H    ASP  88           HN       ASP  88  -2.724  -1.141 -16.650
  662    HA   ASP  88           HA       ASP  88  -5.533  -0.438 -16.348
  663    HB2  ASP  88           2HB      ASP  88  -3.486  -1.655 -14.607
  664    HB3  ASP  88           1HB      ASP  88  -4.575  -0.530 -13.799
  665    H    GLN  89           HN       GLN  89  -5.396   1.585 -17.216
  666    HA   GLN  89           HA       GLN  89  -3.663   3.633 -16.535
  667    HB2  GLN  89           2HB      GLN  89  -6.506   3.694 -17.537
  668    HB3  GLN  89           1HB      GLN  89  -5.475   5.108 -17.438
  669    HG2  GLN  89           2HG      GLN  89  -4.878   2.648 -19.050
  670    HG3  GLN  89           1HG      GLN  89  -5.547   4.146 -19.690
  671   HE21  GLN  89          1HE2      GLN  89  -3.049   2.768 -20.338
  672   HE22  GLN  89          2HE2      GLN  89  -1.784   3.918 -20.035
  673    H    GLN  90           HN       GLN  90  -6.793   2.784 -15.088
  674    HA   GLN  90           HA       GLN  90  -7.078   5.077 -13.502
  675    HB2  GLN  90           2HB      GLN  90  -8.891   3.444 -13.900
  676    HB3  GLN  90           1HB      GLN  90  -8.045   2.277 -12.889
  677    HG2  GLN  90           2HG      GLN  90  -8.252   3.823 -10.983
  678    HG3  GLN  90           1HG      GLN  90  -9.166   4.928 -12.009
  679   HE21  GLN  90          1HE2      GLN  90 -11.238   4.376 -12.654
  680   HE22  GLN  90          2HE2      GLN  90 -12.145   3.137 -11.844
  681    H    VAL  91           HN       VAL  91  -5.418   2.027 -12.889
  682    HA   VAL  91           HA       VAL  91  -4.783   2.565 -10.178
  683    HB   VAL  91           HB       VAL  91  -3.279   0.790 -12.114
  684   HG11  VAL  91          1HG1      VAL  91  -1.985   1.288 -10.115
  685   HG12  VAL  91          2HG1      VAL  91  -2.517  -0.392 -10.112
  686   HG13  VAL  91          3HG1      VAL  91  -3.337   0.794  -9.097
  687   HG21  VAL  91          3HG2      VAL  91  -5.557   0.131 -10.252
  688   HG22  VAL  91          1HG2      VAL  91  -4.620  -1.037 -11.184
  689   HG23  VAL  91          2HG2      VAL  91  -5.614   0.158 -12.015
  690    H    VAL  92           HN       VAL  92  -3.104   3.116 -13.233
  691    HA   VAL  92           HA       VAL  92  -0.708   4.168 -12.241
  692    HB   VAL  92           HB       VAL  92  -2.174   4.926 -14.779
  693   HG11  VAL  92          1HG1      VAL  92   0.014   5.606 -15.632
  694   HG12  VAL  92          2HG1      VAL  92   0.736   5.265 -14.059
  695   HG13  VAL  92          3HG1      VAL  92  -0.450   6.560 -14.224
  696   HG21  VAL  92          3HG2      VAL  92  -0.719   3.283 -15.867
  697   HG22  VAL  92          1HG2      VAL  92  -1.751   2.537 -14.648
  698   HG23  VAL  92          2HG2      VAL  92  -0.051   2.843 -14.295
  699    H    LYS  93           HN       LYS  93  -3.768   5.765 -13.076
  700    HA   LYS  93           HA       LYS  93  -3.003   8.406 -12.524
  701    HB2  LYS  93           2HB      LYS  93  -5.727   7.106 -12.315
  702    HB3  LYS  93           1HB      LYS  93  -5.443   8.840 -12.286
  703    HG2  LYS  93           2HG      LYS  93  -4.745   7.022 -14.580
  704    HG3  LYS  93           1HG      LYS  93  -6.192   8.026 -14.482
  705    HD2  LYS  93           2HD      LYS  93  -4.773  10.027 -14.331
  706    HD3  LYS  93           1HD      LYS  93  -3.340   9.007 -14.475
  707    HE2  LYS  93           2HE      LYS  93  -4.041   8.287 -16.684
  708    HE3  LYS  93           1HE      LYS  93  -5.532   9.218 -16.536
  709    HZ1  LYS  93           3HZ      LYS  93  -4.227  11.242 -16.445
  710    HZ2  LYS  93           1HZ      LYS  93  -3.867  10.377 -17.860
  711    HZ3  LYS  93           2HZ      LYS  93  -2.785  10.355 -16.556
  712    H    GLU  94           HN       GLU  94  -4.568   5.987 -10.436
  713    HA   GLU  94           HA       GLU  94  -4.921   7.558  -8.173
  714    HB2  GLU  94           2HB      GLU  94  -4.507   4.612  -8.579
  715    HB3  GLU  94           1HB      GLU  94  -4.814   5.297  -6.990
  716    HG2  GLU  94           2HG      GLU  94  -6.640   5.884  -9.278
  717    HG3  GLU  94           1HG      GLU  94  -6.785   4.387  -8.368
  718    H    LEU  95           HN       LEU  95  -2.180   5.519  -9.094
  719    HA   LEU  95           HA       LEU  95  -0.728   5.988  -6.706
  720    HB2  LEU  95           2HB      LEU  95   0.070   4.930  -9.406
  721    HB3  LEU  95           1HB      LEU  95   1.199   5.068  -8.074
  722    HG   LEU  95           HG       LEU  95  -1.336   3.410  -7.973
  723   HD11  LEU  95          1HD1      LEU  95   0.214   2.475  -9.596
  724   HD12  LEU  95          2HD1      LEU  95   0.171   1.480  -8.141
  725   HD13  LEU  95          3HD1      LEU  95   1.527   2.571  -8.424
  726   HD21  LEU  95          3HD2      LEU  95  -0.574   4.220  -5.809
  727   HD22  LEU  95          1HD2      LEU  95   1.038   3.584  -6.130
  728   HD23  LEU  95          2HD2      LEU  95  -0.327   2.480  -5.962
  729    H    GLN  96           HN       GLN  96  -0.739   7.555  -9.879
  730    HA   GLN  96           HA       GLN  96   1.551   9.134  -9.526
  731    HB2  GLN  96           2HB      GLN  96  -0.937   9.583 -11.160
  732    HB3  GLN  96           1HB      GLN  96   0.402  10.721 -11.159
  733    HG2  GLN  96           2HG      GLN  96   1.897   8.926 -11.932
  734    HG3  GLN  96           1HG      GLN  96   0.513   7.837 -12.003
  735   HE21  GLN  96          1HE2      GLN  96  -1.065   8.161 -13.573
  736   HE22  GLN  96          2HE2      GLN  96  -0.782   9.133 -14.980
  737    H    VAL  97           HN       VAL  97  -1.700   9.526  -8.293
  738    HA   VAL  97           HA       VAL  97  -1.601  12.249  -7.638
  739    HB   VAL  97           HB       VAL  97  -3.045  10.031  -6.171
  740   HG11  VAL  97          1HG1      VAL  97  -3.479  13.018  -6.086
  741   HG12  VAL  97          2HG1      VAL  97  -2.866  12.013  -4.772
  742   HG13  VAL  97          3HG1      VAL  97  -4.525  11.810  -5.341
  743   HG21  VAL  97          3HG2      VAL  97  -3.970  11.890  -8.360
  744   HG22  VAL  97          1HG2      VAL  97  -4.995  10.751  -7.488
  745   HG23  VAL  97          2HG2      VAL  97  -3.685  10.157  -8.510
  746    H    PHE  98           HN       PHE  98  -0.513   9.398  -5.850
  747    HA   PHE  98           HA       PHE  98   0.250  10.794  -3.503
  748    HB2  PHE  98           2HB      PHE  98   1.245   8.152  -4.597
  749    HB3  PHE  98           1HB      PHE  98   1.552   8.753  -2.972
  750    HD1  PHE  98           2HD      PHE  98  -0.488   9.224  -1.495
  751    HD2  PHE  98           1HD      PHE  98  -0.635   6.884  -5.040
  752    HE1  PHE  98           2HE      PHE  98  -2.577   8.182  -0.716
  753    HE2  PHE  98           1HE      PHE  98  -2.724   5.841  -4.271
  754    HZ   PHE  98           HZ       PHE  98  -3.699   6.485  -2.107
  755    H    LEU  99           HN       LEU  99   1.925   9.928  -6.466
  756    HA   LEU  99           HA       LEU  99   4.526  10.622  -5.683
  757    HB2  LEU  99           2HB      LEU  99   3.142  10.305  -8.303
  758    HB3  LEU  99           1HB      LEU  99   4.706  11.094  -8.283
  759    HG   LEU  99           HG       LEU  99   4.970   8.753  -8.814
  760   HD11  LEU  99          1HD1      LEU  99   5.925   9.376  -6.027
  761   HD12  LEU  99          2HD1      LEU  99   6.739   9.809  -7.531
  762   HD13  LEU  99          3HD1      LEU  99   6.564   8.113  -7.076
  763   HD21  LEU  99          3HD2      LEU  99   4.390   6.999  -7.225
  764   HD22  LEU  99          1HD2      LEU  99   2.959   7.883  -7.756
  765   HD23  LEU  99          2HD2      LEU  99   3.653   8.198  -6.163
  766    H    ARG 100           HN       ARG 100   1.869  12.588  -6.887
  767    HA   ARG 100           HA       ARG 100   3.433  14.852  -7.616
  768    HB2  ARG 100           2HB      ARG 100   0.542  14.753  -6.756
  769    HB3  ARG 100           1HB      ARG 100   1.315  16.032  -7.673
  770    HG2  ARG 100           2HG      ARG 100   1.149  13.226  -8.678
  771    HG3  ARG 100           1HG      ARG 100  -0.132  14.411  -8.913
  772    HD2  ARG 100           2HD      ARG 100   1.481  15.909 -10.021
  773    HD3  ARG 100           1HD      ARG 100   2.738  14.694  -9.797
  774    HE   ARG 100           HE       ARG 100   0.357  14.343 -11.513
  775   HH11  ARG 100          1HH1      ARG 100   3.696  13.661 -10.712
  776   HH12  ARG 100          2HH1      ARG 100   3.999  12.751 -12.157
  777   HH21  ARG 100          1HH2      ARG 100   0.757  13.182 -13.441
  778   HH22  ARG 100          2HH2      ARG 100   2.323  12.471 -13.709
  779    H    ARG 101           HN       ARG 101   1.286  14.192  -4.903
  780    HA   ARG 101           HA       ARG 101   1.817  16.525  -3.469
  781    HB2  ARG 101           2HB      ARG 101  -0.067  15.031  -2.932
  782    HB3  ARG 101           1HB      ARG 101   1.065  13.840  -2.295
  783    HG2  ARG 101           2HG      ARG 101   1.767  15.368  -0.566
  784    HG3  ARG 101           1HG      ARG 101   0.749  16.640  -1.238
  785    HD2  ARG 101           2HD      ARG 101  -1.239  15.310  -0.746
  786    HD3  ARG 101           1HD      ARG 101  -0.220  14.028  -0.084
  787    HE   ARG 101           HE       ARG 101   0.550  16.105   1.398
  788   HH11  ARG 101          1HH1      ARG 101  -2.660  14.963   0.570
  789   HH12  ARG 101          2HH1      ARG 101  -3.400  15.629   1.991
  790   HH21  ARG 101          1HH2      ARG 101  -0.435  17.024   3.236
  791   HH22  ARG 101          2HH2      ARG 101  -2.134  16.783   3.508
  792    H    LEU 102           HN       LEU 102   3.444  13.387  -3.327
  793    HA   LEU 102           HA       LEU 102   5.132  14.059  -1.149
  794    HB2  LEU 102           2HB      LEU 102   4.626  11.738  -1.889
  795    HB3  LEU 102           1HB      LEU 102   5.600  12.012  -3.320
  796    HG   LEU 102           HG       LEU 102   7.583  12.338  -1.913
  797   HD11  LEU 102          1HD1      LEU 102   7.482  11.785   0.475
  798   HD12  LEU 102          2HD1      LEU 102   5.728  11.641   0.362
  799   HD13  LEU 102          3HD1      LEU 102   6.504  13.202   0.090
  800   HD21  LEU 102          3HD2      LEU 102   7.061  10.119  -2.785
  801   HD22  LEU 102          1HD2      LEU 102   6.097   9.778  -1.348
  802   HD23  LEU 102          2HD2      LEU 102   7.839  10.019  -1.204
  803    H    ALA 103           HN       ALA 103   5.411  14.391  -4.636
  804    HA   ALA 103           HA       ALA 103   8.148  15.181  -4.630
  805    HB1  ALA 103           1HB      ALA 103   7.034  14.254  -6.620
  806    HB2  ALA 103           2HB      ALA 103   7.796  15.814  -6.938
  807    HB3  ALA 103           3HB      ALA 103   6.047  15.713  -6.726
  808    H    ARG 104           HN       ARG 104   5.111  16.887  -4.273
  809    HA   ARG 104           HA       ARG 104   6.048  19.483  -4.817
  810    HB2  ARG 104           2HB      ARG 104   3.791  18.588  -3.020
  811    HB3  ARG 104           1HB      ARG 104   4.079  20.257  -3.494
  812    HG2  ARG 104           2HG      ARG 104   3.765  19.632  -5.844
  813    HG3  ARG 104           1HG      ARG 104   3.440  17.971  -5.346
  814    HD2  ARG 104           2HD      ARG 104   1.342  19.038  -5.716
  815    HD3  ARG 104           1HD      ARG 104   1.543  18.844  -3.975
  816    HE   ARG 104           HE       ARG 104   1.964  21.185  -3.797
  817   HH11  ARG 104          1HH1      ARG 104   0.960  20.115  -6.978
  818   HH12  ARG 104          2HH1      ARG 104   0.449  21.696  -7.492
  819   HH21  ARG 104          1HH2      ARG 104   1.290  23.274  -4.481
  820   HH22  ARG 104          2HH2      ARG 104   0.665  23.495  -6.090
  821    H    GLU 105           HN       GLU 105   5.918  17.637  -1.793
  822    HA   GLU 105           HA       GLU 105   6.873  19.647  -0.101
  823    HB2  GLU 105           2HB      GLU 105   7.144  16.643   0.053
  824    HB3  GLU 105           1HB      GLU 105   7.520  17.746   1.363
  825    HG2  GLU 105           2HG      GLU 105   4.825  17.407   0.081
  826    HG3  GLU 105           1HG      GLU 105   5.322  16.734   1.632
  827    H    ASP 106           HN       ASP 106   8.524  17.227  -2.057
  828    HA   ASP 106           HA       ASP 106  11.165  17.856  -1.235
  829    HB2  ASP 106           2HB      ASP 106  10.589  15.751  -2.357
  830    HB3  ASP 106           1HB      ASP 106  10.167  16.631  -3.814
  831    H    ALA 107           HN       ALA 107   9.139  18.853  -3.901
  832    HA   ALA 107           HA       ALA 107  10.926  20.421  -5.342
  833    HB1  ALA 107           1HB      ALA 107   8.734  19.761  -6.187
  834    HB2  ALA 107           2HB      ALA 107   8.968  21.506  -6.307
  835    HB3  ALA 107           3HB      ALA 107   7.958  20.837  -5.025
  836    H    LEU 108           HN       LEU 108   9.174  21.176  -2.411
  837    HA   LEU 108           HA       LEU 108   9.633  23.967  -2.438
  838    HB2  LEU 108           2HB      LEU 108   9.195  22.060  -0.139
  839    HB3  LEU 108           1HB      LEU 108   9.178  23.799  -0.004
  840    HG   LEU 108           HG       LEU 108   7.257  22.197  -1.658
  841   HD11  LEU 108          1HD1      LEU 108   6.935  21.819   0.725
  842   HD12  LEU 108          2HD1      LEU 108   5.617  22.780   0.054
  843   HD13  LEU 108          3HD1      LEU 108   6.884  23.561   1.000
  844   HD21  LEU 108          3HD2      LEU 108   6.024  24.315  -1.823
  845   HD22  LEU 108          1HD2      LEU 108   7.620  24.419  -2.565
  846   HD23  LEU 108          2HD2      LEU 108   7.337  25.132  -0.977
  847    H    GLU 109           HN       GLU 109  11.496  21.202  -1.356
  848    HA   GLU 109           HA       GLU 109  13.505  22.835  -0.068
  849    HB2  GLU 109           2HB      GLU 109  13.535  19.858  -0.563
  850    HB3  GLU 109           1HB      GLU 109  14.530  20.748   0.584
  851    HG2  GLU 109           2HG      GLU 109  12.620  21.275   1.928
  852    HG3  GLU 109           1HG      GLU 109  11.533  20.578   0.729
  853    H    HIS 110           HN       HIS 110  12.931  21.297  -3.018
  854    HA   HIS 110           HA       HIS 110  15.640  21.836  -4.008
  855    HB2  HIS 110           2HB      HIS 110  13.414  20.031  -4.883
  856    HB3  HIS 110           1HB      HIS 110  14.607  20.558  -6.057
  857    HD1  HIS 110           1HD      HIS 110  13.959  17.717  -4.210
  858    HD2  HIS 110           2HD      HIS 110  17.369  20.070  -4.620
  859    HE1  HIS 110           1HE      HIS 110  15.886  16.247  -3.549
  860    HE2  HIS 110           2HE      HIS 110  17.924  17.723  -3.686
  861    H    HIS 111           HN       HIS 111  13.453  23.824  -3.516
  862    HA   HIS 111           HA       HIS 111  12.071  24.383  -5.894
  863    HB2  HIS 111           2HB      HIS 111  11.520  25.121  -3.510
  864    HB3  HIS 111           1HB      HIS 111  12.656  26.437  -3.780
  865    HD1  HIS 111           1HD      HIS 111  11.465  28.506  -4.387
  866    HD2  HIS 111           2HD      HIS 111   9.566  25.129  -5.894
  867    HE1  HIS 111           1HE      HIS 111   9.455  29.357  -5.642
  868    HE2  HIS 111           2HE      HIS 111   8.439  27.312  -6.706
  869    H    HIS 112           HN       HIS 112  15.187  25.476  -4.737
  870    HA   HIS 112           HA       HIS 112  16.859  26.673  -5.706
  871    HB2  HIS 112           2HB      HIS 112  15.414  25.618  -8.113
  872    HB3  HIS 112           1HB      HIS 112  16.757  26.736  -8.314
  873    HD1  HIS 112           1HD      HIS 112  18.126  24.894  -9.492
  874    HD2  HIS 112           2HD      HIS 112  17.097  24.006  -5.560
  875    HE1  HIS 112           1HE      HIS 112  19.561  22.934  -8.839
  876    HE2  HIS 112           2HE      HIS 112  18.869  22.356  -6.484
  877    H    HIS 113           HN       HIS 113  15.941  28.583  -4.676
  878    HA   HIS 113           HA       HIS 113  15.772  30.670  -6.626
  879    HB2  HIS 113           2HB      HIS 113  13.366  29.944  -6.406
  880    HB3  HIS 113           1HB      HIS 113  13.437  30.424  -4.713
  881    HD1  HIS 113           1HD      HIS 113  11.525  32.177  -5.304
  882    HD2  HIS 113           2HD      HIS 113  15.186  32.839  -7.159
  883    HE1  HIS 113           1HE      HIS 113  11.422  34.529  -6.185
  884    HE2  HIS 113           2HE      HIS 113  13.574  34.839  -7.459
  885    H    HIS 114           HN       HIS 114  14.752  30.321  -3.231
  886    HA   HIS 114           HA       HIS 114  15.526  31.207  -1.288
  887    HB2  HIS 114           2HB      HIS 114  17.733  30.313  -2.000
  888    HB3  HIS 114           1HB      HIS 114  18.057  31.824  -2.837
  889    HD1  HIS 114           1HD      HIS 114  17.742  30.378   0.619
  890    HD2  HIS 114           2HD      HIS 114  18.971  33.895  -1.231
  891    HE1  HIS 114           1HE      HIS 114  18.870  31.736   2.416
  892    HE2  HIS 114           2HE      HIS 114  19.435  33.932   1.316
  893    H    HIS 115           HN       HIS 115  15.567  33.222  -0.227
  894    HA   HIS 115           HA       HIS 115  14.533  35.392  -1.760
  895    HB2  HIS 115           2HB      HIS 115  13.854  35.036   0.574
  896    HB3  HIS 115           1HB      HIS 115  15.503  35.361   1.106
  897    HD1  HIS 115           1HD      HIS 115  15.614  37.620   2.103
  898    HD2  HIS 115           2HD      HIS 115  13.056  37.498  -1.174
  899    HE1  HIS 115           1HE      HIS 115  14.811  39.983   1.776
  900    HE2  HIS 115           2HE      HIS 115  13.441  39.910  -0.341
  Start of MODEL    5
    1    H1   MET   1           H1       MET   1 -11.113 -11.941  23.758
    2    H2   MET   1           H2       MET   1 -12.570 -11.280  23.199
    3    H3   MET   1           H3       MET   1 -11.296 -10.260  23.659
    4    HA   MET   1           HA       MET   1  -9.932 -11.184  21.862
    5    HB2  MET   1           2HB      MET   1 -12.522 -12.614  21.284
    6    HB3  MET   1           1HB      MET   1 -11.341 -12.306  20.018
    7    HG2  MET   1           2HG      MET   1 -11.060 -14.532  20.872
    8    HG3  MET   1           1HG      MET   1  -9.662 -13.550  21.300
    9    HE1  MET   1           2HE      MET   1  -9.828 -15.918  24.365
   10    HE2  MET   1           3HE      MET   1  -8.815 -15.224  23.099
   11    HE3  MET   1           1HE      MET   1 -10.129 -16.324  22.677
   12    H    GLN   2           HN       GLN   2  -9.581  -9.556  20.526
   13    HA   GLN   2           HA       GLN   2 -11.839  -7.876  19.666
   14    HB2  GLN   2           2HB      GLN   2 -10.586  -7.109  21.832
   15    HB3  GLN   2           1HB      GLN   2  -9.296  -6.664  20.730
   16    HG2  GLN   2           2HG      GLN   2 -10.707  -4.765  21.310
   17    HG3  GLN   2           1HG      GLN   2 -10.765  -5.114  19.587
   18   HE21  GLN   2          1HE2      GLN   2 -12.670  -5.755  18.668
   19   HE22  GLN   2          2HE2      GLN   2 -14.184  -5.754  19.511
   20    H    ALA   3           HN       ALA   3 -10.739  -6.081  18.140
   21    HA   ALA   3           HA       ALA   3  -9.529  -5.527  16.304
   22    HB1  ALA   3           1HB      ALA   3  -7.542  -6.030  17.632
   23    HB2  ALA   3           2HB      ALA   3  -7.318  -6.484  15.942
   24    HB3  ALA   3           3HB      ALA   3  -7.646  -7.723  17.153
   25    H    ILE   4           HN       ILE   4  -9.356  -6.032  14.171
   26    HA   ILE   4           HA       ILE   4 -11.033  -8.132  13.235
   27    HB   ILE   4           HB       ILE   4  -9.117  -6.344  11.735
   28   HG12  ILE   4          2HG1      ILE   4 -12.099  -6.070  12.156
   29   HG13  ILE   4          1HG1      ILE   4 -10.867  -5.137  13.000
   30   HG21  ILE   4          1HG2      ILE   4 -11.385  -8.051  10.720
   31   HG22  ILE   4          2HG2      ILE   4  -9.666  -8.283  10.401
   32   HG23  ILE   4          3HG2      ILE   4 -10.500  -6.868   9.760
   33   HD11  ILE   4          3HD1      ILE   4 -10.176  -4.118  10.917
   34   HD12  ILE   4          1HD1      ILE   4 -11.906  -3.889  11.171
   35   HD13  ILE   4          2HD1      ILE   4 -11.336  -5.103  10.025
   36    H    THR   5           HN       THR   5  -7.622  -7.758  13.752
   37    HA   THR   5           HA       THR   5  -6.662  -9.751  12.036
   38    HB   THR   5           HB       THR   5  -4.700  -9.770  13.715
   39    HG1  THR   5           1HG      THR   5  -4.911  -8.548  15.440
   40   HG21  THR   5          3HG2      THR   5  -5.551  -7.205  12.367
   41   HG22  THR   5          1HG2      THR   5  -4.657  -8.526  11.617
   42   HG23  THR   5          2HG2      THR   5  -3.915  -7.580  12.909
   43    H    GLU   6           HN       GLU   6  -7.789  -9.920  15.399
   44    HA   GLU   6           HA       GLU   6  -6.872 -12.526  15.918
   45    HB2  GLU   6           2HB      GLU   6  -9.008 -10.837  17.169
   46    HB3  GLU   6           1HB      GLU   6  -8.776 -12.504  17.667
   47    HG2  GLU   6           2HG      GLU   6  -6.315 -11.818  18.014
   48    HG3  GLU   6           1HG      GLU   6  -6.942 -10.169  17.984
   49    H    ARG   7           HN       ARG   7 -10.037 -11.386  14.732
   50    HA   ARG   7           HA       ARG   7 -11.150 -13.999  14.688
   51    HB2  ARG   7           2HB      ARG   7 -12.950 -13.037  13.316
   52    HB3  ARG   7           1HB      ARG   7 -12.625 -12.079  14.750
   53    HG2  ARG   7           2HG      ARG   7 -11.484 -10.418  13.464
   54    HG3  ARG   7           1HG      ARG   7 -11.561 -11.421  12.014
   55    HD2  ARG   7           2HD      ARG   7 -13.955 -10.334  13.492
   56    HD3  ARG   7           1HD      ARG   7 -13.255  -9.616  12.041
   57    HE   ARG   7           HE       ARG   7 -13.770 -11.857  10.977
   58   HH11  ARG   7          1HH1      ARG   7 -15.677 -10.524  13.603
   59   HH12  ARG   7          2HH1      ARG   7 -17.122 -11.358  13.129
   60   HH21  ARG   7          1HH2      ARG   7 -15.648 -12.942  10.369
   61   HH22  ARG   7          2HH2      ARG   7 -17.110 -12.750  11.296
   62    H    LEU   8           HN       LEU   8  -9.323 -12.105  12.372
   63    HA   LEU   8           HA       LEU   8  -9.739 -13.815  10.159
   64    HB2  LEU   8           2HB      LEU   8  -7.470 -11.927  10.782
   65    HB3  LEU   8           1HB      LEU   8  -7.662 -12.755   9.249
   66    HG   LEU   8           HG       LEU   8  -9.581 -10.736  10.420
   67   HD11  LEU   8          1HD1      LEU   8  -7.706 -10.562   8.069
   68   HD12  LEU   8          2HD1      LEU   8  -7.526  -9.725   9.612
   69   HD13  LEU   8          3HD1      LEU   8  -8.878  -9.335   8.548
   70   HD21  LEU   8          3HD2      LEU   8  -9.654 -12.181   7.775
   71   HD22  LEU   8          1HD2      LEU   8 -10.752 -10.900   8.286
   72   HD23  LEU   8          2HD2      LEU   8 -10.751 -12.447   9.130
   73    H    GLU   9           HN       GLU   9  -7.085 -13.642  12.550
   74    HA   GLU   9           HA       GLU   9  -5.666 -15.828  11.445
   75    HB2  GLU   9           2HB      GLU   9  -4.335 -15.831  13.472
   76    HB3  GLU   9           1HB      GLU   9  -4.582 -14.183  12.917
   77    HG2  GLU   9           2HG      GLU   9  -6.202 -13.781  14.626
   78    HG3  GLU   9           1HG      GLU   9  -6.192 -15.481  15.095
   79    H    ALA  10           HN       ALA  10  -8.244 -15.612  13.801
   80    HA   ALA  10           HA       ALA  10  -8.180 -18.202  14.839
   81    HB1  ALA  10           1HB      ALA  10 -10.612 -16.514  14.242
   82    HB2  ALA  10           2HB      ALA  10  -9.642 -16.448  15.712
   83    HB3  ALA  10           3HB      ALA  10 -10.558 -17.905  15.326
   84    H    MET  11           HN       MET  11  -9.442 -16.995  11.774
   85    HA   MET  11           HA       MET  11 -10.709 -19.415  11.002
   86    HB2  MET  11           2HB      MET  11  -9.691 -17.092   9.368
   87    HB3  MET  11           1HB      MET  11 -10.626 -18.422   8.709
   88    HG2  MET  11           2HG      MET  11 -12.445 -17.833  10.314
   89    HG3  MET  11           1HG      MET  11 -11.516 -16.398  10.742
   90    HE1  MET  11           3HE      MET  11 -10.236 -15.745   7.834
   91    HE2  MET  11           1HE      MET  11 -10.857 -14.503   8.923
   92    HE3  MET  11           2HE      MET  11 -11.398 -14.556   7.245
   93    H    LEU  12           HN       LEU  12  -7.460 -18.101  10.578
   94    HA   LEU  12           HA       LEU  12  -6.437 -20.069   8.860
   95    HB2  LEU  12           2HB      LEU  12  -5.196 -18.297  10.931
   96    HB3  LEU  12           1HB      LEU  12  -4.238 -19.564  10.196
   97    HG   LEU  12           HG       LEU  12  -3.803 -17.498   9.057
   98   HD11  LEU  12          1HD1      LEU  12  -5.551 -19.281   7.375
   99   HD12  LEU  12          2HD1      LEU  12  -3.827 -19.497   7.681
  100   HD13  LEU  12          3HD1      LEU  12  -4.394 -18.100   6.764
  101   HD21  LEU  12          3HD2      LEU  12  -5.846 -16.302   9.621
  102   HD22  LEU  12          1HD2      LEU  12  -6.767 -17.345   8.539
  103   HD23  LEU  12          2HD2      LEU  12  -5.545 -16.256   7.883
  104    H    ALA  13           HN       ALA  13  -6.866 -20.004  12.355
  105    HA   ALA  13           HA       ALA  13  -5.561 -22.450  12.911
  106    HB1  ALA  13           1HB      ALA  13  -6.648 -22.335  15.069
  107    HB2  ALA  13           2HB      ALA  13  -7.771 -21.117  14.469
  108    HB3  ALA  13           3HB      ALA  13  -6.055 -20.738  14.609
  109    H    GLN  14           HN       GLN  14  -8.732 -21.673  11.722
  110    HA   GLN  14           HA       GLN  14  -9.802 -24.308  12.212
  111    HB2  GLN  14           2HB      GLN  14 -10.849 -21.951  10.642
  112    HB3  GLN  14           1HB      GLN  14 -11.709 -23.479  10.788
  113    HG2  GLN  14           2HG      GLN  14 -10.970 -21.612  13.031
  114    HG3  GLN  14           1HG      GLN  14 -12.583 -21.893  12.372
  115   HE21  GLN  14          1HE2      GLN  14 -10.054 -23.139  14.387
  116   HE22  GLN  14          2HE2      GLN  14 -10.946 -24.454  15.062
  117    H    GLY  15           HN       GLY  15  -7.674 -23.016   9.978
  118    HA2  GLY  15           2HA      GLY  15  -6.501 -24.519   8.558
  119    HA3  GLY  15           1HA      GLY  15  -7.958 -25.485   8.421
  120    H    THR  16           HN       THR  16  -9.145 -22.512   7.985
  121    HA   THR  16           HA       THR  16  -9.153 -22.869   5.125
  122    HB   THR  16           HB       THR  16 -11.261 -22.281   6.109
  123    HG1  THR  16           1HG      THR  16 -11.450 -21.308   4.243
  124   HG21  THR  16          3HG2      THR  16 -10.498 -21.104   8.102
  125   HG22  THR  16          1HG2      THR  16 -11.678 -20.137   7.217
  126   HG23  THR  16          2HG2      THR  16  -9.963 -19.748   7.110
  127    H    ASP  17           HN       ASP  17  -6.791 -22.579   5.153
  128    HA   ASP  17           HA       ASP  17  -5.762 -19.898   5.372
  129    HB2  ASP  17           2HB      ASP  17  -4.267 -21.674   5.960
  130    HB3  ASP  17           1HB      ASP  17  -4.559 -22.506   4.436
  131    H    ASN  18           HN       ASN  18  -6.349 -18.470   3.876
  132    HA   ASN  18           HA       ASN  18  -6.138 -19.304   1.069
  133    HB2  ASN  18           2HB      ASN  18  -7.989 -17.842   0.469
  134    HB3  ASN  18           1HB      ASN  18  -8.513 -19.021   1.663
  135   HD21  ASN  18          1HD2      ASN  18  -9.124 -18.345   3.684
  136   HD22  ASN  18          2HD2      ASN  18  -9.358 -16.678   4.079
  137    H    MET  19           HN       MET  19  -6.152 -17.215  -0.335
  138    HA   MET  19           HA       MET  19  -3.702 -15.867   0.480
  139    HB2  MET  19           2HB      MET  19  -3.654 -16.908  -1.651
  140    HB3  MET  19           1HB      MET  19  -5.193 -16.209  -2.112
  141    HG2  MET  19           2HG      MET  19  -4.110 -13.979  -2.128
  142    HG3  MET  19           1HG      MET  19  -2.567 -14.780  -1.828
  143    HE1  MET  19           3HE      MET  19  -1.673 -13.521  -4.029
  144    HE2  MET  19           1HE      MET  19  -3.268 -12.832  -4.327
  145    HE3  MET  19           2HE      MET  19  -2.420 -13.686  -5.616
  146    H    LEU  20           HN       LEU  20  -7.063 -15.143   0.163
  147    HA   LEU  20           HA       LEU  20  -6.646 -12.427  -0.712
  148    HB2  LEU  20           2HB      LEU  20  -9.122 -14.002  -0.089
  149    HB3  LEU  20           1HB      LEU  20  -9.153 -12.321  -0.591
  150    HG   LEU  20           HG       LEU  20  -7.970 -14.570  -2.223
  151   HD11  LEU  20          1HD1      LEU  20 -10.601 -13.140  -2.550
  152   HD12  LEU  20          2HD1      LEU  20 -10.393 -14.801  -1.997
  153   HD13  LEU  20          3HD1      LEU  20  -9.930 -14.354  -3.639
  154   HD21  LEU  20          3HD2      LEU  20  -6.946 -12.417  -2.687
  155   HD22  LEU  20          1HD2      LEU  20  -8.537 -11.688  -2.906
  156   HD23  LEU  20          2HD2      LEU  20  -7.969 -12.920  -4.032
  157    H    LEU  21           HN       LEU  21  -7.024 -13.942   2.370
  158    HA   LEU  21           HA       LEU  21  -8.172 -11.611   3.610
  159    HB2  LEU  21           2HB      LEU  21  -7.737 -12.837   5.753
  160    HB3  LEU  21           1HB      LEU  21  -8.779 -13.652   4.609
  161    HG   LEU  21           HG       LEU  21  -6.757 -15.038   3.936
  162   HD11  LEU  21          1HD1      LEU  21  -4.936 -15.206   5.541
  163   HD12  LEU  21          2HD1      LEU  21  -5.632 -13.892   6.490
  164   HD13  LEU  21          3HD1      LEU  21  -5.021 -13.579   4.864
  165   HD21  LEU  21          3HD2      LEU  21  -7.778 -15.230   6.766
  166   HD22  LEU  21          1HD2      LEU  21  -6.975 -16.521   5.873
  167   HD23  LEU  21          2HD2      LEU  21  -8.539 -15.915   5.330
  168    H    ARG  22           HN       ARG  22  -5.132 -12.184   2.493
  169    HA   ARG  22           HA       ARG  22  -3.620 -11.368   4.775
  170    HB2  ARG  22           2HB      ARG  22  -2.833 -11.796   1.900
  171    HB3  ARG  22           1HB      ARG  22  -1.694 -11.321   3.153
  172    HG2  ARG  22           2HG      ARG  22  -2.418 -13.360   4.433
  173    HG3  ARG  22           1HG      ARG  22  -3.291 -13.859   2.985
  174    HD2  ARG  22           2HD      ARG  22  -1.256 -13.958   1.719
  175    HD3  ARG  22           1HD      ARG  22  -0.341 -13.252   3.052
  176    HE   ARG  22           HE       ARG  22  -1.545 -15.952   3.073
  177   HH11  ARG  22          1HH1      ARG  22   0.838 -13.650   4.209
  178   HH12  ARG  22          2HH1      ARG  22   1.710 -14.813   5.154
  179   HH21  ARG  22          1HH2      ARG  22  -0.411 -17.493   4.304
  180   HH22  ARG  22          2HH2      ARG  22   1.009 -17.021   5.194
  181    H    PHE  23           HN       PHE  23  -4.746  -9.670   1.856
  182    HA   PHE  23           HA       PHE  23  -3.227  -7.343   2.459
  183    HB2  PHE  23           2HB      PHE  23  -4.663  -6.166   0.804
  184    HB3  PHE  23           1HB      PHE  23  -3.886  -7.609   0.182
  185    HD1  PHE  23           1HD      PHE  23  -7.127  -6.336   1.496
  186    HD2  PHE  23           2HD      PHE  23  -5.125  -9.242  -0.887
  187    HE1  PHE  23           1HE      PHE  23  -9.292  -7.110   0.629
  188    HE2  PHE  23           2HE      PHE  23  -7.292 -10.025  -1.750
  189    HZ   PHE  23           HZ       PHE  23  -9.378  -8.957  -0.994
  190    H    THR  24           HN       THR  24  -6.375  -8.477   3.424
  191    HA   THR  24           HA       THR  24  -7.374  -6.087   4.518
  192    HB   THR  24           HB       THR  24  -7.893  -8.900   5.509
  193    HG1  THR  24           1HG      THR  24  -9.448  -9.030   3.936
  194   HG21  THR  24          3HG2      THR  24 -10.078  -7.976   6.182
  195   HG22  THR  24          1HG2      THR  24  -9.551  -6.375   5.661
  196   HG23  THR  24          2HG2      THR  24  -8.742  -7.175   7.009
  197    H    LEU  25           HN       LEU  25  -5.231  -8.579   5.806
  198    HA   LEU  25           HA       LEU  25  -5.060  -7.722   8.462
  199    HB2  LEU  25           2HB      LEU  25  -2.976  -8.995   6.685
  200    HB3  LEU  25           1HB      LEU  25  -2.780  -8.769   8.412
  201    HG   LEU  25           HG       LEU  25  -5.000 -10.408   7.193
  202   HD11  LEU  25          1HD1      LEU  25  -2.859 -11.408   6.628
  203   HD12  LEU  25          2HD1      LEU  25  -3.677 -12.363   7.865
  204   HD13  LEU  25          3HD1      LEU  25  -2.344 -11.299   8.311
  205   HD21  LEU  25          3HD2      LEU  25  -3.934 -10.152  10.004
  206   HD22  LEU  25          1HD2      LEU  25  -5.149 -11.320   9.484
  207   HD23  LEU  25          2HD2      LEU  25  -5.501  -9.593   9.415
  208    H    GLY  26           HN       GLY  26  -3.255  -6.736   5.585
  209    HA2  GLY  26           2HA      GLY  26  -1.411  -5.024   6.822
  210    HA3  GLY  26           1HA      GLY  26  -1.927  -4.921   5.146
  211    H    LYS  27           HN       LYS  27  -4.690  -4.432   5.681
  212    HA   LYS  27           HA       LYS  27  -4.711  -1.649   5.922
  213    HB2  LYS  27           2HB      LYS  27  -6.897  -3.703   6.193
  214    HB3  LYS  27           1HB      LYS  27  -7.210  -1.978   6.288
  215    HG2  LYS  27           2HG      LYS  27  -6.363  -1.679   4.031
  216    HG3  LYS  27           1HG      LYS  27  -5.980  -3.399   3.933
  217    HD2  LYS  27           2HD      LYS  27  -8.307  -3.981   4.096
  218    HD3  LYS  27           1HD      LYS  27  -8.750  -2.300   4.399
  219    HE2  LYS  27           2HE      LYS  27  -8.159  -1.659   2.189
  220    HE3  LYS  27           1HE      LYS  27  -7.387  -3.208   1.874
  221    HZ1  LYS  27           3HZ      LYS  27 -10.289  -2.668   2.192
  222    HZ2  LYS  27           1HZ      LYS  27  -9.632  -4.233   2.185
  223    HZ3  LYS  27           2HZ      LYS  27  -9.488  -3.243   0.815
  224    H    THR  28           HN       THR  28  -5.221  -4.184   8.320
  225    HA   THR  28           HA       THR  28  -6.131  -2.439  10.374
  226    HB   THR  28           HB       THR  28  -4.849  -5.157  10.715
  227    HG1  THR  28           1HG      THR  28  -6.785  -4.958   9.270
  228   HG21  THR  28          3HG2      THR  28  -5.057  -3.857  12.788
  229   HG22  THR  28          1HG2      THR  28  -6.147  -5.244  12.786
  230   HG23  THR  28          2HG2      THR  28  -6.777  -3.626  12.471
  231    H    TYR  29           HN       TYR  29  -2.969  -3.658   9.401
  232    HA   TYR  29           HA       TYR  29  -1.555  -2.617  11.637
  233    HB2  TYR  29           2HB      TYR  29  -0.587  -3.282   8.847
  234    HB3  TYR  29           1HB      TYR  29   0.465  -2.868  10.195
  235    HD1  TYR  29           2HD      TYR  29  -0.239  -4.360  12.415
  236    HD2  TYR  29           1HD      TYR  29  -0.622  -5.514   8.341
  237    HE1  TYR  29           2HE      TYR  29  -0.168  -6.725  13.084
  238    HE2  TYR  29           1HE      TYR  29  -0.548  -7.882   8.997
  239    HH   TYR  29           HH       TYR  29  -0.881  -8.913  12.211
  240    H    ALA  30           HN       ALA  30  -2.372  -1.339   8.441
  241    HA   ALA  30           HA       ALA  30  -0.759   0.993   8.652
  242    HB1  ALA  30           1HB      ALA  30  -1.529   0.103   6.507
  243    HB2  ALA  30           2HB      ALA  30  -1.979   1.796   6.708
  244    HB3  ALA  30           3HB      ALA  30  -3.189   0.529   6.925
  245    H    GLU  31           HN       GLU  31  -4.211   0.389   9.227
  246    HA   GLU  31           HA       GLU  31  -4.918   3.030   9.881
  247    HB2  GLU  31           2HB      GLU  31  -6.109   0.359  10.601
  248    HB3  GLU  31           1HB      GLU  31  -6.824   1.872  11.139
  249    HG2  GLU  31           2HG      GLU  31  -6.284   1.330   8.240
  250    HG3  GLU  31           1HG      GLU  31  -7.762   0.784   9.029
  251    H    HIS  32           HN       HIS  32  -3.475   0.457  11.785
  252    HA   HIS  32           HA       HIS  32  -3.780   2.011  14.236
  253    HB2  HIS  32           2HB      HIS  32  -3.719  -0.734  13.704
  254    HB3  HIS  32           1HB      HIS  32  -2.203  -0.402  14.535
  255    HD1  HIS  32           1HD      HIS  32  -2.316   0.077  17.040
  256    HD2  HIS  32           2HD      HIS  32  -6.061  -0.145  15.230
  257    HE1  HIS  32           1HE      HIS  32  -3.987   0.057  18.923
  258    HE2  HIS  32           2HE      HIS  32  -6.240   0.147  17.801
  259    H    GLU  33           HN       GLU  33  -1.835   2.384  11.801
  260    HA   GLU  33           HA       GLU  33   0.138   3.416  11.466
  261    HB2  GLU  33           2HB      GLU  33  -0.010   3.938  14.435
  262    HB3  GLU  33           1HB      GLU  33   1.089   4.730  13.314
  263    HG2  GLU  33           2HG      GLU  33  -0.859   5.618  12.089
  264    HG3  GLU  33           1HG      GLU  33  -1.915   4.905  13.309
  265    H    GLN  34           HN       GLN  34   0.236   0.626  11.823
  266    HA   GLN  34           HA       GLN  34   2.890   0.282  13.071
  267    HB2  GLN  34           2HB      GLN  34   0.803  -1.826  12.447
  268    HB3  GLN  34           1HB      GLN  34   2.360  -2.116  13.213
  269    HG2  GLN  34           2HG      GLN  34   1.667  -0.678  15.090
  270    HG3  GLN  34           1HG      GLN  34   0.089  -0.492  14.330
  271   HE21  GLN  34          1HE2      GLN  34  -1.322  -2.251  14.277
  272   HE22  GLN  34          2HE2      GLN  34  -1.110  -3.626  15.310
  273    H    PHE  35           HN       PHE  35   2.898   1.495  10.708
  274    HA   PHE  35           HA       PHE  35   2.680   0.082   8.350
  275    HB2  PHE  35           2HB      PHE  35   4.655   2.284   8.960
  276    HB3  PHE  35           1HB      PHE  35   4.125   1.785   7.357
  277    HD1  PHE  35           1HD      PHE  35   1.731   2.135   6.705
  278    HD2  PHE  35           2HD      PHE  35   3.409   3.802  10.241
  279    HE1  PHE  35           1HE      PHE  35  -0.125   3.746   6.821
  280    HE2  PHE  35           2HE      PHE  35   1.554   5.410  10.368
  281    HZ   PHE  35           HZ       PHE  35  -0.216   5.383   8.656
  282    H    ASP  36           HN       ASP  36   5.545   0.409  10.424
  283    HA   ASP  36           HA       ASP  36   7.415  -0.884   8.827
  284    HB2  ASP  36           2HB      ASP  36   7.912   0.277  10.962
  285    HB3  ASP  36           1HB      ASP  36   7.191  -1.065  11.835
  286    H    ALA  37           HN       ALA  37   5.141  -2.243  11.125
  287    HA   ALA  37           HA       ALA  37   6.025  -4.946  10.817
  288    HB1  ALA  37           1HB      ALA  37   4.075  -5.533  12.160
  289    HB2  ALA  37           2HB      ALA  37   3.455  -3.891  11.993
  290    HB3  ALA  37           3HB      ALA  37   4.950  -4.181  12.882
  291    H    ALA  38           HN       ALA  38   3.716  -2.901   9.239
  292    HA   ALA  38           HA       ALA  38   2.155  -4.933   8.018
  293    HB1  ALA  38           1HB      ALA  38   1.299  -3.154   6.589
  294    HB2  ALA  38           2HB      ALA  38   2.574  -2.074   7.154
  295    HB3  ALA  38           3HB      ALA  38   1.341  -2.646   8.278
  296    H    LEU  39           HN       LEU  39   5.098  -3.243   7.088
  297    HA   LEU  39           HA       LEU  39   5.109  -3.667   4.367
  298    HB2  LEU  39           2HB      LEU  39   7.364  -3.473   6.338
  299    HB3  LEU  39           1HB      LEU  39   7.652  -3.632   4.618
  300    HG   LEU  39           HG       LEU  39   6.068  -1.392   5.882
  301   HD11  LEU  39          1HD1      LEU  39   8.903  -1.438   4.849
  302   HD12  LEU  39          2HD1      LEU  39   8.411  -1.284   6.537
  303   HD13  LEU  39          3HD1      LEU  39   8.024  -0.006   5.384
  304   HD21  LEU  39          3HD2      LEU  39   7.115  -1.772   3.077
  305   HD22  LEU  39          1HD2      LEU  39   6.262  -0.353   3.681
  306   HD23  LEU  39          2HD2      LEU  39   5.428  -1.904   3.574
  307    HA   PRO  40           HA       PRO  40   7.472  -7.842   4.789
  308    HB2  PRO  40           2HB      PRO  40   7.335  -9.156   7.174
  309    HB3  PRO  40           1HB      PRO  40   8.658  -8.069   6.732
  310    HG2  PRO  40           2HG      PRO  40   6.264  -7.547   8.445
  311    HG3  PRO  40           1HG      PRO  40   7.947  -7.042   8.684
  312    HD2  PRO  40           2HD      PRO  40   6.054  -5.371   7.723
  313    HD3  PRO  40           1HD      PRO  40   7.757  -5.269   7.232
  314    H    HIS  41           HN       HIS  41   4.551  -7.407   6.704
  315    HA   HIS  41           HA       HIS  41   3.501 -10.007   6.165
  316    HB2  HIS  41           2HB      HIS  41   2.278  -7.483   7.271
  317    HB3  HIS  41           1HB      HIS  41   1.316  -8.927   6.972
  318    HD1  HIS  41           1HD      HIS  41   0.950 -10.127   9.090
  319    HD2  HIS  41           2HD      HIS  41   4.752  -8.460   8.928
  320    HE1  HIS  41           1HE      HIS  41   2.066 -10.787  11.241
  321    HE2  HIS  41           2HE      HIS  41   4.421  -9.904  11.054
  322    H    LEU  42           HN       LEU  42   3.099  -6.806   4.728
  323    HA   LEU  42           HA       LEU  42   1.198  -7.640   2.773
  324    HB2  LEU  42           2HB      LEU  42   3.045  -5.266   2.933
  325    HB3  LEU  42           1HB      LEU  42   1.947  -5.519   1.590
  326    HG   LEU  42           HG       LEU  42   1.116  -5.188   4.473
  327   HD11  LEU  42          1HD1      LEU  42   0.917  -3.289   2.141
  328   HD12  LEU  42          2HD1      LEU  42   2.009  -3.127   3.515
  329   HD13  LEU  42          3HD1      LEU  42   0.265  -3.017   3.757
  330   HD21  LEU  42          3HD2      LEU  42  -0.447  -6.586   3.277
  331   HD22  LEU  42          1HD2      LEU  42  -0.491  -5.444   1.934
  332   HD23  LEU  42          2HD2      LEU  42  -1.151  -4.985   3.501
  333    H    ARG  43           HN       ARG  43   4.699  -7.481   2.907
  334    HA   ARG  43           HA       ARG  43   5.213  -8.067   0.197
  335    HB2  ARG  43           2HB      ARG  43   6.860  -7.266   1.995
  336    HB3  ARG  43           1HB      ARG  43   6.959  -8.950   2.489
  337    HG2  ARG  43           2HG      ARG  43   7.775  -9.576   0.291
  338    HG3  ARG  43           1HG      ARG  43   7.617  -7.905  -0.259
  339    HD2  ARG  43           2HD      ARG  43   9.192  -7.296   1.638
  340    HD3  ARG  43           1HD      ARG  43   9.505  -9.025   1.794
  341    HE   ARG  43           HE       ARG  43   9.920  -8.501  -0.859
  342   HH11  ARG  43          1HH1      ARG  43  11.227  -7.297   2.158
  343   HH12  ARG  43          2HH1      ARG  43  12.739  -6.804   1.453
  344   HH21  ARG  43          1HH2      ARG  43  11.928  -7.886  -1.776
  345   HH22  ARG  43          2HH2      ARG  43  13.139  -7.151  -0.768
  346    H    ALA  44           HN       ALA  44   4.449 -10.068   2.970
  347    HA   ALA  44           HA       ALA  44   4.946 -12.587   1.815
  348    HB1  ALA  44           1HB      ALA  44   3.466 -13.478   3.538
  349    HB2  ALA  44           2HB      ALA  44   2.886 -11.849   3.893
  350    HB3  ALA  44           3HB      ALA  44   4.566 -12.276   4.211
  351    H    ALA  45           HN       ALA  45   2.139 -10.444   1.707
  352    HA   ALA  45           HA       ALA  45   0.479 -12.212   0.216
  353    HB1  ALA  45           1HB      ALA  45  -0.427 -10.318   1.487
  354    HB2  ALA  45           2HB      ALA  45  -0.906 -10.252  -0.209
  355    HB3  ALA  45           3HB      ALA  45   0.379  -9.200   0.386
  356    H    LEU  46           HN       LEU  46   2.750  -9.659  -0.609
  357    HA   LEU  46           HA       LEU  46   2.415  -9.690  -3.404
  358    HB2  LEU  46           2HB      LEU  46   4.845  -9.005  -1.750
  359    HB3  LEU  46           1HB      LEU  46   4.686  -8.679  -3.464
  360    HG   LEU  46           HG       LEU  46   2.961  -7.479  -1.292
  361   HD11  LEU  46          1HD1      LEU  46   5.142  -6.245  -2.970
  362   HD12  LEU  46          2HD1      LEU  46   5.248  -6.625  -1.252
  363   HD13  LEU  46          3HD1      LEU  46   4.117  -5.396  -1.813
  364   HD21  LEU  46          3HD2      LEU  46   3.055  -6.917  -4.254
  365   HD22  LEU  46          1HD2      LEU  46   2.075  -6.061  -3.063
  366   HD23  LEU  46          2HD2      LEU  46   1.761  -7.762  -3.404
  367    H    ASP  47           HN       ASP  47   4.035 -11.831  -1.242
  368    HA   ASP  47           HA       ASP  47   5.751 -13.105  -3.107
  369    HB2  ASP  47           2HB      ASP  47   5.708 -13.244  -0.513
  370    HB3  ASP  47           1HB      ASP  47   4.518 -14.515  -0.757
  371    H    PHE  48           HN       PHE  48   2.387 -13.399  -2.290
  372    HA   PHE  48           HA       PHE  48   1.991 -15.853  -3.753
  373    HB2  PHE  48           2HB      PHE  48   0.134 -13.954  -2.347
  374    HB3  PHE  48           1HB      PHE  48  -0.485 -15.252  -3.361
  375    HD1  PHE  48           2HD      PHE  48   1.308 -14.449  -0.260
  376    HD2  PHE  48           1HD      PHE  48  -0.354 -17.543  -2.667
  377    HE1  PHE  48           2HE      PHE  48   1.497 -16.018   1.627
  378    HE2  PHE  48           1HE      PHE  48  -0.164 -19.117  -0.787
  379    HZ   PHE  48           HZ       PHE  48   0.765 -18.356   1.364
  380    H    ASP  49           HN       ASP  49   1.242 -12.400  -4.312
  381    HA   ASP  49           HA       ASP  49   0.773 -13.137  -7.136
  382    HB2  ASP  49           2HB      ASP  49  -1.285 -12.350  -5.871
  383    HB3  ASP  49           1HB      ASP  49  -0.500 -10.783  -5.732
  384    HA   PRO  50           HA       PRO  50   4.146 -10.409  -7.853
  385    HB2  PRO  50           2HB      PRO  50   3.491 -10.320 -10.666
  386    HB3  PRO  50           1HB      PRO  50   4.780 -11.217  -9.864
  387    HG2  PRO  50           2HG      PRO  50   2.619 -12.398 -11.049
  388    HG3  PRO  50           1HG      PRO  50   3.525 -13.123  -9.708
  389    HD2  PRO  50           2HD      PRO  50   0.926 -11.638  -9.659
  390    HD3  PRO  50           1HD      PRO  50   1.412 -13.092  -8.759
  391    H    THR  51           HN       THR  51   0.895  -9.505  -8.759
  392    HA   THR  51           HA       THR  51   1.592  -6.725  -8.708
  393    HB   THR  51           HB       THR  51   2.340  -7.093 -10.928
  394    HG1  THR  51           1HG      THR  51   1.292  -5.441 -11.704
  395   HG21  THR  51          3HG2      THR  51   0.944  -8.089 -12.690
  396   HG22  THR  51          1HG2      THR  51  -0.295  -8.453 -11.487
  397   HG23  THR  51          2HG2      THR  51   1.286  -9.230 -11.389
  398    H    TYR  52           HN       TYR  52   0.051  -6.844  -7.032
  399    HA   TYR  52           HA       TYR  52  -2.732  -7.038  -7.958
  400    HB2  TYR  52           2HB      TYR  52  -1.993  -8.568  -6.073
  401    HB3  TYR  52           1HB      TYR  52  -1.785  -7.127  -5.085
  402    HD1  TYR  52           2HD      TYR  52  -4.343  -8.926  -7.114
  403    HD2  TYR  52           1HD      TYR  52  -3.583  -6.307  -3.849
  404    HE1  TYR  52           2HE      TYR  52  -6.719  -9.014  -6.498
  405    HE2  TYR  52           1HE      TYR  52  -5.959  -6.390  -3.226
  406    HH   TYR  52           HH       TYR  52  -8.138  -6.860  -4.328
  407    H    SER  53           HN       SER  53  -3.834  -5.234  -8.137
  408    HA   SER  53           HA       SER  53  -2.684  -2.736  -8.066
  409    HB2  SER  53           2HB      SER  53  -5.180  -1.994  -8.085
  410    HB3  SER  53           1HB      SER  53  -4.564  -2.966  -9.423
  411    HG   SER  53           HG       SER  53  -6.647  -3.599  -8.251
  412    H    VAL  54           HN       VAL  54  -4.971  -4.084  -5.693
  413    HA   VAL  54           HA       VAL  54  -5.076  -1.782  -4.079
  414    HB   VAL  54           HB       VAL  54  -5.601  -4.639  -3.253
  415   HG11  VAL  54          1HG1      VAL  54  -6.538  -2.039  -2.043
  416   HG12  VAL  54          2HG1      VAL  54  -5.383  -3.168  -1.335
  417   HG13  VAL  54          3HG1      VAL  54  -7.066  -3.648  -1.549
  418   HG21  VAL  54          3HG2      VAL  54  -6.915  -4.022  -5.209
  419   HG22  VAL  54          1HG2      VAL  54  -7.484  -2.570  -4.385
  420   HG23  VAL  54          2HG2      VAL  54  -7.943  -4.163  -3.784
  421    H    ALA  55           HN       ALA  55  -3.001  -4.625  -3.968
  422    HA   ALA  55           HA       ALA  55  -1.946  -4.182  -1.386
  423    HB1  ALA  55           1HB      ALA  55  -0.694  -5.689  -3.678
  424    HB2  ALA  55           2HB      ALA  55  -1.848  -6.359  -2.526
  425    HB3  ALA  55           3HB      ALA  55  -0.260  -5.827  -1.975
  426    H    TRP  56           HN       TRP  56  -0.669  -3.403  -4.615
  427    HA   TRP  56           HA       TRP  56   1.687  -2.171  -3.645
  428    HB2  TRP  56           2HB      TRP  56   0.258  -2.117  -6.285
  429    HB3  TRP  56           1HB      TRP  56   1.671  -1.105  -6.001
  430    HD1  TRP  56           1HD      TRP  56   0.655  -4.751  -6.518
  431    HE1  TRP  56           1HE      TRP  56   2.783  -6.152  -6.912
  432    HE3  TRP  56           3HE      TRP  56   4.172  -1.207  -5.437
  433    HZ2  TRP  56           2HZ      TRP  56   5.580  -5.798  -6.776
  434    HZ3  TRP  56           3HZ      TRP  56   6.551  -1.817  -5.589
  435    HH2  TRP  56           2HH      TRP  56   7.239  -4.067  -6.243
  436    H    LYS  57           HN       LYS  57  -1.524  -0.961  -4.381
  437    HA   LYS  57           HA       LYS  57  -0.997   1.788  -4.155
  438    HB2  LYS  57           2HB      LYS  57  -3.077   1.109  -5.079
  439    HB3  LYS  57           1HB      LYS  57  -3.471   0.138  -3.676
  440    HG2  LYS  57           2HG      LYS  57  -3.679   2.209  -2.346
  441    HG3  LYS  57           1HG      LYS  57  -3.390   3.140  -3.818
  442    HD2  LYS  57           2HD      LYS  57  -5.373   2.233  -4.841
  443    HD3  LYS  57           1HD      LYS  57  -5.617   1.135  -3.483
  444    HE2  LYS  57           2HE      LYS  57  -5.919   3.081  -2.004
  445    HE3  LYS  57           1HE      LYS  57  -5.754   4.145  -3.401
  446    HZ1  LYS  57           3HZ      LYS  57  -8.083   3.694  -2.783
  447    HZ2  LYS  57           1HZ      LYS  57  -7.843   2.051  -3.123
  448    HZ3  LYS  57           2HZ      LYS  57  -7.722   3.201  -4.366
  449    H    TRP  58           HN       TRP  58  -1.906  -0.624  -1.708
  450    HA   TRP  58           HA       TRP  58  -1.823   1.240   0.458
  451    HB2  TRP  58           2HB      TRP  58  -1.989  -1.741   0.253
  452    HB3  TRP  58           1HB      TRP  58  -1.639  -0.994   1.807
  453    HD1  TRP  58           1HD      TRP  58  -4.447  -1.502  -0.707
  454    HE1  TRP  58           1HE      TRP  58  -6.673  -0.764   0.363
  455    HE3  TRP  58           3HE      TRP  58  -2.626   0.692   3.541
  456    HZ2  TRP  58           2HZ      TRP  58  -7.535   0.547   2.689
  457    HZ3  TRP  58           3HZ      TRP  58  -4.224   1.664   5.135
  458    HH2  TRP  58           2HH      TRP  58  -6.626   1.600   4.714
  459    H    LEU  59           HN       LEU  59   0.481  -0.920  -1.044
  460    HA   LEU  59           HA       LEU  59   2.505  -0.937   0.866
  461    HB2  LEU  59           2HB      LEU  59   2.227  -2.081  -1.503
  462    HB3  LEU  59           1HB      LEU  59   3.167  -0.706  -2.042
  463    HG   LEU  59           HG       LEU  59   4.517  -2.743  -1.643
  464   HD11  LEU  59          1HD1      LEU  59   6.296  -1.681  -0.360
  465   HD12  LEU  59          2HD1      LEU  59   5.163  -0.445   0.188
  466   HD13  LEU  59          3HD1      LEU  59   5.580  -0.564  -1.521
  467   HD21  LEU  59          3HD2      LEU  59   3.267  -3.670   0.216
  468   HD22  LEU  59          1HD2      LEU  59   3.742  -2.313   1.235
  469   HD23  LEU  59          2HD2      LEU  59   4.961  -3.450   0.658
  470    H    GLY  60           HN       GLY  60   1.832   1.407  -1.712
  471    HA2  GLY  60           2HA      GLY  60   3.977   3.155  -1.274
  472    HA3  GLY  60           1HA      GLY  60   2.419   3.619  -1.941
  473    H    LYS  61           HN       LYS  61   0.744   3.134   0.190
  474    HA   LYS  61           HA       LYS  61   1.100   5.415   1.805
  475    HB2  LYS  61           2HB      LYS  61  -0.727   3.033   1.999
  476    HB3  LYS  61           1HB      LYS  61  -0.734   4.292   3.224
  477    HG2  LYS  61           2HG      LYS  61  -1.271   5.948   1.497
  478    HG3  LYS  61           1HG      LYS  61  -1.312   4.658   0.295
  479    HD2  LYS  61           2HD      LYS  61  -3.548   5.400   1.238
  480    HD3  LYS  61           1HD      LYS  61  -3.218   3.667   1.269
  481    HE2  LYS  61           2HE      LYS  61  -2.906   3.635   3.564
  482    HE3  LYS  61           1HE      LYS  61  -2.541   5.356   3.643
  483    HZ1  LYS  61           3HZ      LYS  61  -5.232   4.298   2.963
  484    HZ2  LYS  61           1HZ      LYS  61  -4.810   5.896   3.347
  485    HZ3  LYS  61           2HZ      LYS  61  -4.759   4.693   4.544
  486    H    THR  62           HN       THR  62   1.881   2.038   2.270
  487    HA   THR  62           HA       THR  62   2.375   2.188   5.053
  488    HB   THR  62           HB       THR  62   3.529   0.169   3.125
  489    HG1  THR  62           1HG      THR  62   1.243   0.305   2.895
  490   HG21  THR  62          3HG2      THR  62   2.834   0.004   6.059
  491   HG22  THR  62          1HG2      THR  62   4.463   0.108   5.391
  492   HG23  THR  62          2HG2      THR  62   3.468  -1.314   5.074
  493    H    LEU  63           HN       LEU  63   4.530   2.323   2.214
  494    HA   LEU  63           HA       LEU  63   6.895   2.684   3.746
  495    HB2  LEU  63           2HB      LEU  63   6.217   3.142   0.862
  496    HB3  LEU  63           1HB      LEU  63   7.780   3.613   1.508
  497    HG   LEU  63           HG       LEU  63   6.655   0.805   1.554
  498   HD11  LEU  63          1HD1      LEU  63   8.392   0.325  -0.100
  499   HD12  LEU  63          2HD1      LEU  63   8.818   2.037  -0.147
  500   HD13  LEU  63          3HD1      LEU  63   7.230   1.507  -0.700
  501   HD21  LEU  63          3HD2      LEU  63   8.144   1.289   3.439
  502   HD22  LEU  63          1HD2      LEU  63   9.378   1.860   2.315
  503   HD23  LEU  63          2HD2      LEU  63   8.887   0.167   2.300
  504    H    GLN  64           HN       GLN  64   4.501   4.875   2.444
  505    HA   GLN  64           HA       GLN  64   5.822   7.306   2.911
  506    HB2  GLN  64           2HB      GLN  64   3.719   7.136   1.655
  507    HB3  GLN  64           1HB      GLN  64   2.873   6.658   3.118
  508    HG2  GLN  64           2HG      GLN  64   2.396   8.948   2.674
  509    HG3  GLN  64           1HG      GLN  64   3.428   8.860   4.100
  510   HE21  GLN  64          1HE2      GLN  64   4.610   8.439   0.838
  511   HE22  GLN  64          2HE2      GLN  64   5.526   9.902   0.776
  512    H    GLY  65           HN       GLY  65   3.730   5.348   5.011
  513    HA2  GLY  65           2HA      GLY  65   3.961   7.056   7.276
  514    HA3  GLY  65           1HA      GLY  65   3.379   5.397   7.282
  515    H    GLN  66           HN       GLN  66   5.897   4.424   6.045
  516    HA   GLN  66           HA       GLN  66   7.383   3.847   8.364
  517    HB2  GLN  66           2HB      GLN  66   7.448   2.390   6.412
  518    HB3  GLN  66           1HB      GLN  66   8.166   3.671   5.446
  519    HG2  GLN  66           2HG      GLN  66   9.854   2.075   6.057
  520    HG3  GLN  66           1HG      GLN  66  10.165   3.601   6.880
  521   HE21  GLN  66          1HE2      GLN  66   9.227   0.287   7.249
  522   HE22  GLN  66          2HE2      GLN  66   9.391   0.214   8.971
  523    H    GLY  67           HN       GLY  67   7.668   6.350   5.919
  524    HA2  GLY  67           2HA      GLY  67   8.473   8.515   6.597
  525    HA3  GLY  67           1HA      GLY  67   9.575   7.711   7.705
  526    H    ASP  68           HN       ASP  68   9.340   6.295   4.597
  527    HA   ASP  68           HA       ASP  68  11.869   7.591   3.849
  528    HB2  ASP  68           2HB      ASP  68  12.009   5.130   4.368
  529    HB3  ASP  68           1HB      ASP  68  10.967   4.844   2.976
  530    H    ARG  69           HN       ARG  69  11.294   9.152   2.520
  531    HA   ARG  69           HA       ARG  69   9.028   9.085   0.846
  532    HB2  ARG  69           2HB      ARG  69   9.776  11.205  -0.011
  533    HB3  ARG  69           1HB      ARG  69  10.080  11.158   1.719
  534    HG2  ARG  69           2HG      ARG  69  12.077  11.985   1.117
  535    HG3  ARG  69           1HG      ARG  69  12.457  10.292   0.794
  536    HD2  ARG  69           2HD      ARG  69  11.677  10.659  -1.562
  537    HD3  ARG  69           1HD      ARG  69  11.558  12.377  -1.192
  538    HE   ARG  69           HE       ARG  69  14.118  10.952  -0.878
  539   HH11  ARG  69          1HH1      ARG  69  12.217  13.542  -2.285
  540   HH12  ARG  69          2HH1      ARG  69  13.570  14.253  -3.110
  541   HH21  ARG  69          1HH2      ARG  69  15.889  11.895  -1.970
  542   HH22  ARG  69          2HH2      ARG  69  15.651  13.329  -2.925
  543    H    ALA  70           HN       ALA  70  12.348   8.106   0.314
  544    HA   ALA  70           HA       ALA  70  12.232   7.996  -2.523
  545    HB1  ALA  70           1HB      ALA  70  14.357   7.970  -1.328
  546    HB2  ALA  70           2HB      ALA  70  14.201   6.550  -2.361
  547    HB3  ALA  70           3HB      ALA  70  13.950   6.406  -0.622
  548    H    GLY  71           HN       GLY  71  11.812   5.471  -0.033
  549    HA2  GLY  71           2HA      GLY  71  11.019   3.418  -1.778
  550    HA3  GLY  71           1HA      GLY  71  10.594   3.527  -0.074
  551    H    ALA  72           HN       ALA  72   9.177   5.984  -0.213
  552    HA   ALA  72           HA       ALA  72   6.603   5.129  -0.897
  553    HB1  ALA  72           1HB      ALA  72   7.605   7.960  -0.621
  554    HB2  ALA  72           2HB      ALA  72   7.028   6.933   0.693
  555    HB3  ALA  72           3HB      ALA  72   5.918   7.447  -0.577
  556    H    ARG  73           HN       ARG  73   8.874   7.232  -2.668
  557    HA   ARG  73           HA       ARG  73   7.277   7.689  -4.934
  558    HB2  ARG  73           2HB      ARG  73   9.386   8.909  -4.535
  559    HB3  ARG  73           1HB      ARG  73  10.297   7.425  -4.794
  560    HG2  ARG  73           2HG      ARG  73   8.997   7.451  -7.096
  561    HG3  ARG  73           1HG      ARG  73   8.921   9.180  -6.757
  562    HD2  ARG  73           2HD      ARG  73  11.513   7.689  -6.574
  563    HD3  ARG  73           1HD      ARG  73  10.901   8.230  -8.133
  564    HE   ARG  73           HE       ARG  73  10.960  10.349  -6.219
  565   HH11  ARG  73          1HH1      ARG  73  12.900   8.479  -8.451
  566   HH12  ARG  73          2HH1      ARG  73  14.109   9.717  -8.649
  567   HH21  ARG  73          1HH2      ARG  73  12.523  12.024  -6.510
  568   HH22  ARG  73          2HH2      ARG  73  13.883  11.729  -7.561
  569    H    GLN  74           HN       GLN  74   9.647   5.179  -4.222
  570    HA   GLN  74           HA       GLN  74   9.604   3.780  -6.619
  571    HB2  GLN  74           2HB      GLN  74  11.200   3.404  -4.770
  572    HB3  GLN  74           1HB      GLN  74   9.920   2.665  -3.822
  573    HG2  GLN  74           2HG      GLN  74  11.126   0.875  -4.689
  574    HG3  GLN  74           1HG      GLN  74   9.702   0.990  -5.724
  575   HE21  GLN  74          1HE2      GLN  74  13.122   1.464  -5.484
  576   HE22  GLN  74          2HE2      GLN  74  13.428   1.622  -7.186
  577    H    ALA  75           HN       ALA  75   7.624   3.256  -3.716
  578    HA   ALA  75           HA       ALA  75   6.296   0.965  -4.640
  579    HB1  ALA  75           1HB      ALA  75   4.755   1.320  -2.806
  580    HB2  ALA  75           2HB      ALA  75   5.337   2.973  -2.613
  581    HB3  ALA  75           3HB      ALA  75   6.413   1.615  -2.289
  582    H    TRP  76           HN       TRP  76   5.326   4.393  -4.762
  583    HA   TRP  76           HA       TRP  76   2.757   3.791  -5.831
  584    HB2  TRP  76           2HB      TRP  76   4.307   6.322  -5.439
  585    HB3  TRP  76           1HB      TRP  76   2.832   6.330  -6.403
  586    HD1  TRP  76           1HD      TRP  76   1.119   4.304  -4.629
  587    HE1  TRP  76           1HE      TRP  76   0.223   5.081  -2.348
  588    HE3  TRP  76           3HE      TRP  76   4.359   8.170  -3.755
  589    HZ2  TRP  76           2HZ      TRP  76   0.805   7.073  -0.433
  590    HZ3  TRP  76           3HZ      TRP  76   4.116   9.463  -1.675
  591    HH2  TRP  76           2HH      TRP  76   2.375   8.923  -0.051
  592    H    GLU  77           HN       GLU  77   5.830   4.789  -7.300
  593    HA   GLU  77           HA       GLU  77   4.815   5.059  -9.927
  594    HB2  GLU  77           2HB      GLU  77   7.597   4.365  -8.976
  595    HB3  GLU  77           1HB      GLU  77   7.185   4.706 -10.649
  596    HG2  GLU  77           2HG      GLU  77   6.360   6.952  -9.860
  597    HG3  GLU  77           1HG      GLU  77   7.111   6.580  -8.305
  598    H    SER  78           HN       SER  78   6.157   2.333  -8.150
  599    HA   SER  78           HA       SER  78   6.109   0.560 -10.390
  600    HB2  SER  78           2HB      SER  78   7.495   0.477  -8.147
  601    HB3  SER  78           1HB      SER  78   6.100  -0.426  -7.560
  602    HG   SER  78           HG       SER  78   7.807  -1.054  -9.737
  603    H    GLY  79           HN       GLY  79   3.931   1.332  -7.750
  604    HA2  GLY  79           2HA      GLY  79   2.227  -0.908  -7.971
  605    HA3  GLY  79           1HA      GLY  79   1.840   0.610  -7.183
  606    H    LEU  80           HN       LEU  80   2.395   1.997  -9.852
  607    HA   LEU  80           HA       LEU  80  -0.235   2.191 -10.765
  608    HB2  LEU  80           2HB      LEU  80   1.936   3.622 -11.237
  609    HB3  LEU  80           1HB      LEU  80   2.025   2.616 -12.662
  610    HG   LEU  80           HG       LEU  80  -0.227   3.343 -13.332
  611   HD11  LEU  80          1HD1      LEU  80  -1.268   5.248 -12.183
  612   HD12  LEU  80          2HD1      LEU  80  -0.037   5.142 -10.923
  613   HD13  LEU  80          3HD1      LEU  80  -1.176   3.815 -11.160
  614   HD21  LEU  80          3HD2      LEU  80   0.356   5.616 -13.968
  615   HD22  LEU  80          1HD2      LEU  80   1.731   4.532 -14.172
  616   HD23  LEU  80          2HD2      LEU  80   1.665   5.623 -12.786
  617    H    ALA  81           HN       ALA  81   2.475   0.308 -11.946
  618    HA   ALA  81           HA       ALA  81   1.252  -0.915 -14.151
  619    HB1  ALA  81           1HB      ALA  81   3.675  -0.964 -13.708
  620    HB2  ALA  81           2HB      ALA  81   3.015  -2.565 -14.045
  621    HB3  ALA  81           3HB      ALA  81   3.392  -2.097 -12.387
  622    H    ALA  82           HN       ALA  82   1.049  -1.673 -10.741
  623    HA   ALA  82           HA       ALA  82  -0.093  -4.256 -11.022
  624    HB1  ALA  82           1HB      ALA  82  -0.415  -2.306  -8.747
  625    HB2  ALA  82           2HB      ALA  82   0.910  -3.457  -8.921
  626    HB3  ALA  82           3HB      ALA  82  -0.740  -4.038  -8.693
  627    H    ALA  83           HN       ALA  83  -1.429  -1.009 -10.776
  628    HA   ALA  83           HA       ALA  83  -4.157  -1.828 -10.831
  629    HB1  ALA  83           1HB      ALA  83  -3.460   0.339  -9.926
  630    HB2  ALA  83           2HB      ALA  83  -4.645   0.529 -11.219
  631    HB3  ALA  83           3HB      ALA  83  -2.939   0.841 -11.535
  632    H    GLN  84           HN       GLN  84  -1.793  -0.875 -13.248
  633    HA   GLN  84           HA       GLN  84  -3.527  -0.792 -15.472
  634    HB2  GLN  84           2HB      GLN  84  -0.556  -1.187 -15.171
  635    HB3  GLN  84           1HB      GLN  84  -1.336  -1.160 -16.744
  636    HG2  GLN  84           2HG      GLN  84  -1.595   1.071 -14.756
  637    HG3  GLN  84           1HG      GLN  84  -0.323   1.005 -15.975
  638   HE21  GLN  84          1HE2      GLN  84  -0.861   1.222 -18.141
  639   HE22  GLN  84          2HE2      GLN  84  -2.370   1.909 -18.644
  640    H    SER  85           HN       SER  85  -1.492  -3.360 -14.119
  641    HA   SER  85           HA       SER  85  -2.078  -5.297 -16.077
  642    HB2  SER  85           2HB      SER  85  -0.201  -5.437 -14.422
  643    HB3  SER  85           1HB      SER  85  -1.389  -5.812 -13.174
  644    HG   SER  85           HG       SER  85  -1.812  -7.429 -15.247
  645    H    ARG  86           HN       ARG  86  -3.712  -4.428 -13.073
  646    HA   ARG  86           HA       ARG  86  -5.660  -6.511 -13.290
  647    HB2  ARG  86           2HB      ARG  86  -5.064  -4.261 -11.468
  648    HB3  ARG  86           1HB      ARG  86  -6.747  -4.760 -11.549
  649    HG2  ARG  86           2HG      ARG  86  -5.367  -5.826  -9.741
  650    HG3  ARG  86           1HG      ARG  86  -6.250  -6.914 -10.797
  651    HD2  ARG  86           2HD      ARG  86  -3.420  -6.263 -11.452
  652    HD3  ARG  86           1HD      ARG  86  -3.757  -7.409 -10.154
  653    HE   ARG  86           HE       ARG  86  -5.155  -7.946 -12.631
  654   HH11  ARG  86          1HH1      ARG  86  -2.253  -8.562 -10.743
  655   HH12  ARG  86          2HH1      ARG  86  -1.911 -10.063 -11.546
  656   HH21  ARG  86          1HH2      ARG  86  -4.690  -9.891 -13.687
  657   HH22  ARG  86          2HH2      ARG  86  -3.286 -10.807 -13.242
  658    H    GLY  87           HN       GLY  87  -5.181  -3.622 -14.886
  659    HA2  GLY  87           2HA      GLY  87  -6.471  -2.379 -16.318
  660    HA3  GLY  87           1HA      GLY  87  -7.593  -3.728 -16.317
  661    H    ASP  88           HN       ASP  88  -6.618  -1.901 -13.514
  662    HA   ASP  88           HA       ASP  88  -9.438  -1.164 -13.141
  663    HB2  ASP  88           2HB      ASP  88  -8.111  -2.620 -11.426
  664    HB3  ASP  88           1HB      ASP  88  -7.431  -1.073 -10.921
  665    H    GLN  89           HN       GLN  89  -9.295   0.646 -14.432
  666    HA   GLN  89           HA       GLN  89  -7.490   2.693 -14.350
  667    HB2  GLN  89           2HB      GLN  89 -10.409   2.571 -15.005
  668    HB3  GLN  89           1HB      GLN  89  -9.512   4.071 -15.134
  669    HG2  GLN  89           2HG      GLN  89  -9.707   2.881 -17.266
  670    HG3  GLN  89           1HG      GLN  89  -8.040   3.114 -16.763
  671   HE21  GLN  89          1HE2      GLN  89 -10.594   0.793 -17.256
  672   HE22  GLN  89          2HE2      GLN  89  -9.584  -0.610 -17.192
  673    H    GLN  90           HN       GLN  90 -10.217   2.140 -12.191
  674    HA   GLN  90           HA       GLN  90 -10.297   4.616 -10.917
  675    HB2  GLN  90           2HB      GLN  90 -11.971   2.925 -10.459
  676    HB3  GLN  90           1HB      GLN  90 -10.758   1.859  -9.763
  677    HG2  GLN  90           2HG      GLN  90 -10.372   3.572  -7.992
  678    HG3  GLN  90           1HG      GLN  90 -11.720   4.490  -8.657
  679   HE21  GLN  90          1HE2      GLN  90 -13.240   2.080  -9.297
  680   HE22  GLN  90          2HE2      GLN  90 -13.848   1.485  -7.788
  681    H    VAL  91           HN       VAL  91  -8.310   1.769 -10.172
  682    HA   VAL  91           HA       VAL  91  -6.997   2.973  -7.953
  683    HB   VAL  91           HB       VAL  91  -6.057   0.636  -9.629
  684   HG11  VAL  91          1HG1      VAL  91  -4.267   1.568  -8.278
  685   HG12  VAL  91          2HG1      VAL  91  -4.777   0.014  -7.621
  686   HG13  VAL  91          3HG1      VAL  91  -5.293   1.510  -6.844
  687   HG21  VAL  91          3HG2      VAL  91  -7.074  -0.783  -7.932
  688   HG22  VAL  91          1HG2      VAL  91  -8.287   0.246  -8.691
  689   HG23  VAL  91          2HG2      VAL  91  -7.678   0.640  -7.083
  690    H    VAL  92           HN       VAL  92  -6.291   2.726 -11.383
  691    HA   VAL  92           HA       VAL  92  -3.642   3.611 -11.405
  692    HB   VAL  92           HB       VAL  92  -5.778   4.169 -13.475
  693   HG11  VAL  92          1HG1      VAL  92  -2.772   4.206 -13.686
  694   HG12  VAL  92          2HG1      VAL  92  -3.858   5.590 -13.810
  695   HG13  VAL  92          3HG1      VAL  92  -3.888   4.334 -15.046
  696   HG21  VAL  92          3HG2      VAL  92  -5.608   1.795 -13.077
  697   HG22  VAL  92          1HG2      VAL  92  -3.852   1.863 -13.215
  698   HG23  VAL  92          2HG2      VAL  92  -4.860   2.181 -14.627
  699    H    LYS  93           HN       LYS  93  -6.651   5.490 -11.726
  700    HA   LYS  93           HA       LYS  93  -5.362   7.995 -11.788
  701    HB2  LYS  93           2HB      LYS  93  -8.206   7.279 -11.073
  702    HB3  LYS  93           1HB      LYS  93  -7.625   8.926 -11.294
  703    HG2  LYS  93           2HG      LYS  93  -6.971   8.343 -13.600
  704    HG3  LYS  93           1HG      LYS  93  -7.684   6.746 -13.366
  705    HD2  LYS  93           2HD      LYS  93  -9.862   7.762 -12.972
  706    HD3  LYS  93           1HD      LYS  93  -9.154   9.370 -13.145
  707    HE2  LYS  93           2HE      LYS  93  -9.212   7.244 -15.278
  708    HE3  LYS  93           1HE      LYS  93 -10.295   8.634 -15.194
  709    HZ1  LYS  93           3HZ      LYS  93  -8.568   9.157 -16.714
  710    HZ2  LYS  93           1HZ      LYS  93  -7.358   8.657 -15.635
  711    HZ3  LYS  93           2HZ      LYS  93  -8.258  10.054 -15.310
  712    H    GLU  94           HN       GLU  94  -6.655   6.081  -9.085
  713    HA   GLU  94           HA       GLU  94  -6.417   8.046  -7.106
  714    HB2  GLU  94           2HB      GLU  94  -6.154   5.044  -6.905
  715    HB3  GLU  94           1HB      GLU  94  -6.267   6.122  -5.527
  716    HG2  GLU  94           2HG      GLU  94  -8.477   6.881  -6.386
  717    HG3  GLU  94           1HG      GLU  94  -8.358   5.634  -7.626
  718    H    LEU  95           HN       LEU  95  -4.125   5.540  -8.148
  719    HA   LEU  95           HA       LEU  95  -2.023   6.376  -6.438
  720    HB2  LEU  95           2HB      LEU  95  -2.063   4.717  -8.952
  721    HB3  LEU  95           1HB      LEU  95  -0.590   5.036  -8.058
  722    HG   LEU  95           HG       LEU  95  -3.014   3.610  -6.941
  723   HD11  LEU  95          1HD1      LEU  95  -0.335   2.531  -7.809
  724   HD12  LEU  95          2HD1      LEU  95  -1.862   2.301  -8.659
  725   HD13  LEU  95          3HD1      LEU  95  -1.634   1.609  -7.053
  726   HD21  LEU  95          3HD2      LEU  95  -1.747   4.837  -5.252
  727   HD22  LEU  95          1HD2      LEU  95  -0.262   4.054  -5.793
  728   HD23  LEU  95          2HD2      LEU  95  -1.549   3.094  -5.064
  729    H    GLN  96           HN       GLN  96  -3.022   7.268  -9.663
  730    HA   GLN  96           HA       GLN  96  -0.802   8.746 -10.495
  731    HB2  GLN  96           2HB      GLN  96  -2.783   8.119 -11.891
  732    HB3  GLN  96           1HB      GLN  96  -3.711   9.357 -11.061
  733    HG2  GLN  96           2HG      GLN  96  -2.120  11.052 -11.903
  734    HG3  GLN  96           1HG      GLN  96  -1.305   9.780 -12.813
  735   HE21  GLN  96          1HE2      GLN  96  -2.372   8.811 -14.547
  736   HE22  GLN  96          2HE2      GLN  96  -3.714   9.566 -15.324
  737    H    VAL  97           HN       VAL  97  -3.629   9.704  -8.576
  738    HA   VAL  97           HA       VAL  97  -2.978  12.428  -8.294
  739    HB   VAL  97           HB       VAL  97  -4.540  10.641  -6.412
  740   HG11  VAL  97          1HG1      VAL  97  -3.760  12.652  -5.261
  741   HG12  VAL  97          2HG1      VAL  97  -5.502  12.714  -5.522
  742   HG13  VAL  97          3HG1      VAL  97  -4.425  13.657  -6.550
  743   HG21  VAL  97          3HG2      VAL  97  -5.456  12.520  -8.592
  744   HG22  VAL  97          1HG2      VAL  97  -6.512  11.628  -7.498
  745   HG23  VAL  97          2HG2      VAL  97  -5.500  10.759  -8.653
  746    H    PHE  98           HN       PHE  98  -2.106   9.595  -6.361
  747    HA   PHE  98           HA       PHE  98  -0.854  10.978  -4.256
  748    HB2  PHE  98           2HB      PHE  98  -0.377   8.184  -5.308
  749    HB3  PHE  98           1HB      PHE  98   0.341   8.811  -3.830
  750    HD1  PHE  98           1HD      PHE  98  -1.872  10.268  -2.605
  751    HD2  PHE  98           2HD      PHE  98  -1.859   6.544  -4.666
  752    HE1  PHE  98           1HE      PHE  98  -3.865   9.566  -1.341
  753    HE2  PHE  98           2HE      PHE  98  -3.855   5.838  -3.414
  754    HZ   PHE  98           HZ       PHE  98  -4.861   7.348  -1.747
  755    H    LEU  99           HN       LEU  99   0.348   9.838  -7.363
  756    HA   LEU  99           HA       LEU  99   3.078  10.317  -6.945
  757    HB2  LEU  99           2HB      LEU  99   1.433  10.428  -9.471
  758    HB3  LEU  99           1HB      LEU  99   3.184  10.513  -9.445
  759    HG   LEU  99           HG       LEU  99   1.557   8.174  -8.445
  760   HD11  LEU  99          1HD1      LEU  99   2.364   7.011 -10.429
  761   HD12  LEU  99          2HD1      LEU  99   3.162   8.483 -10.978
  762   HD13  LEU  99          3HD1      LEU  99   1.403   8.422 -10.872
  763   HD21  LEU  99          3HD2      LEU  99   3.718   7.022  -8.371
  764   HD22  LEU  99          1HD2      LEU  99   3.682   8.413  -7.285
  765   HD23  LEU  99          2HD2      LEU  99   4.527   8.520  -8.830
  766    H    ARG 100           HN       ARG 100   0.469  12.453  -7.934
  767    HA   ARG 100           HA       ARG 100   2.158  14.674  -8.563
  768    HB2  ARG 100           2HB      ARG 100  -0.753  14.848  -7.806
  769    HB3  ARG 100           1HB      ARG 100   0.160  15.887  -8.889
  770    HG2  ARG 100           2HG      ARG 100   0.456  13.639 -10.221
  771    HG3  ARG 100           1HG      ARG 100  -1.025  13.216  -9.371
  772    HD2  ARG 100           2HD      ARG 100  -0.618  15.648 -11.102
  773    HD3  ARG 100           1HD      ARG 100  -1.491  14.190 -11.564
  774    HE   ARG 100           HE       ARG 100  -2.526  15.404  -9.176
  775   HH11  ARG 100          1HH1      ARG 100  -2.611  15.401 -12.672
  776   HH12  ARG 100          2HH1      ARG 100  -4.140  16.229 -12.765
  777   HH21  ARG 100          1HH2      ARG 100  -4.570  16.466  -9.296
  778   HH22  ARG 100          2HH2      ARG 100  -5.248  16.816 -10.858
  779    H    ARG 101           HN       ARG 101   0.158  13.719  -5.842
  780    HA   ARG 101           HA       ARG 101   0.619  15.867  -4.120
  781    HB2  ARG 101           2HB      ARG 101  -1.007  14.022  -3.715
  782    HB3  ARG 101           1HB      ARG 101   0.336  12.943  -3.375
  783    HG2  ARG 101           2HG      ARG 101  -0.620  13.655  -1.308
  784    HG3  ARG 101           1HG      ARG 101   0.966  14.410  -1.474
  785    HD2  ARG 101           2HD      ARG 101  -0.052  16.486  -2.171
  786    HD3  ARG 101           1HD      ARG 101  -1.649  15.743  -2.157
  787    HE   ARG 101           HE       ARG 101  -0.134  15.811   0.351
  788   HH11  ARG 101          1HH1      ARG 101  -2.782  17.019  -1.615
  789   HH12  ARG 101          2HH1      ARG 101  -3.598  17.777  -0.276
  790   HH21  ARG 101          1HH2      ARG 101  -1.201  16.825   2.103
  791   HH22  ARG 101          2HH2      ARG 101  -2.695  17.675   1.835
  792    H    LEU 102           HN       LEU 102   2.459  12.873  -4.578
  793    HA   LEU 102           HA       LEU 102   4.471  13.437  -2.669
  794    HB2  LEU 102           2HB      LEU 102   4.001  11.190  -3.509
  795    HB3  LEU 102           1HB      LEU 102   4.537  11.665  -5.109
  796    HG   LEU 102           HG       LEU 102   6.814  12.063  -4.167
  797   HD11  LEU 102          1HD1      LEU 102   7.354  11.102  -1.989
  798   HD12  LEU 102          2HD1      LEU 102   5.650  10.738  -1.722
  799   HD13  LEU 102          3HD1      LEU 102   6.185  12.415  -1.833
  800   HD21  LEU 102          3HD2      LEU 102   6.231   9.993  -5.326
  801   HD22  LEU 102          1HD2      LEU 102   5.692   9.293  -3.800
  802   HD23  LEU 102          2HD2      LEU 102   7.393   9.705  -4.029
  803    H    ALA 103           HN       ALA 103   4.125  14.187  -6.085
  804    HA   ALA 103           HA       ALA 103   6.726  14.888  -6.737
  805    HB1  ALA 103           1HB      ALA 103   4.918  14.674  -8.372
  806    HB2  ALA 103           2HB      ALA 103   5.768  16.211  -8.538
  807    HB3  ALA 103           3HB      ALA 103   4.189  16.159  -7.756
  808    H    ARG 104           HN       ARG 104   4.306  16.723  -4.977
  809    HA   ARG 104           HA       ARG 104   5.479  19.256  -4.998
  810    HB2  ARG 104           2HB      ARG 104   3.976  17.834  -2.802
  811    HB3  ARG 104           1HB      ARG 104   4.399  19.537  -2.751
  812    HG2  ARG 104           2HG      ARG 104   2.999  19.968  -4.685
  813    HG3  ARG 104           1HG      ARG 104   2.624  18.245  -4.816
  814    HD2  ARG 104           2HD      ARG 104   1.558  18.264  -2.657
  815    HD3  ARG 104           1HD      ARG 104   2.040  19.938  -2.394
  816    HE   ARG 104           HE       ARG 104   0.510  19.840  -4.729
  817   HH11  ARG 104          1HH1      ARG 104   0.155  19.346  -1.292
  818   HH12  ARG 104          2HH1      ARG 104  -1.513  19.820  -1.250
  819   HH21  ARG 104          1HH2      ARG 104  -1.700  20.473  -4.696
  820   HH22  ARG 104          2HH2      ARG 104  -2.570  20.467  -3.192
  821    H    GLU 105           HN       GLU 105   6.056  16.484  -2.877
  822    HA   GLU 105           HA       GLU 105   7.916  17.805  -1.191
  823    HB2  GLU 105           2HB      GLU 105   7.257  14.892  -1.632
  824    HB3  GLU 105           1HB      GLU 105   8.304  15.490  -0.361
  825    HG2  GLU 105           2HG      GLU 105   5.416  16.242  -0.704
  826    HG3  GLU 105           1HG      GLU 105   6.019  15.023   0.416
  827    H    ASP 106           HN       ASP 106   8.147  15.680  -3.975
  828    HA   ASP 106           HA       ASP 106  10.962  15.262  -3.820
  829    HB2  ASP 106           2HB      ASP 106   9.390  13.742  -4.990
  830    HB3  ASP 106           1HB      ASP 106   9.108  14.983  -6.197
  831    H    ALA 107           HN       ALA 107   8.934  17.347  -5.822
  832    HA   ALA 107           HA       ALA 107  11.019  18.452  -7.355
  833    HB1  ALA 107           1HB      ALA 107   8.675  18.589  -8.017
  834    HB2  ALA 107           2HB      ALA 107   9.429  20.182  -7.984
  835    HB3  ALA 107           3HB      ALA 107   8.356  19.687  -6.675
  836    H    LEU 108           HN       LEU 108   9.555  19.541  -4.308
  837    HA   LEU 108           HA       LEU 108  11.245  21.868  -4.214
  838    HB2  LEU 108           2HB      LEU 108   9.361  20.661  -2.199
  839    HB3  LEU 108           1HB      LEU 108  10.230  22.154  -1.958
  840    HG   LEU 108           HG       LEU 108   8.164  21.648  -4.074
  841   HD11  LEU 108          1HD1      LEU 108   8.096  23.396  -1.620
  842   HD12  LEU 108          2HD1      LEU 108   7.225  21.877  -1.831
  843   HD13  LEU 108          3HD1      LEU 108   6.824  23.269  -2.836
  844   HD21  LEU 108          3HD2      LEU 108   9.913  23.156  -4.872
  845   HD22  LEU 108          1HD2      LEU 108   9.695  24.164  -3.441
  846   HD23  LEU 108          2HD2      LEU 108   8.391  24.012  -4.621
  847    H    GLU 109           HN       GLU 109  11.001  18.840  -2.360
  848    HA   GLU 109           HA       GLU 109  12.311  17.887  -0.782
  849    HB2  GLU 109           2HB      GLU 109  14.485  19.171  -2.439
  850    HB3  GLU 109           1HB      GLU 109  14.793  18.056  -1.118
  851    HG2  GLU 109           2HG      GLU 109  13.397  16.380  -2.339
  852    HG3  GLU 109           1HG      GLU 109  13.400  17.491  -3.711
  853    H    HIS 110           HN       HIS 110  11.192  20.456  -0.320
  854    HA   HIS 110           HA       HIS 110  11.100  22.093   1.212
  855    HB2  HIS 110           2HB      HIS 110  11.804  20.165   2.674
  856    HB3  HIS 110           1HB      HIS 110  13.452  20.739   2.508
  857    HD1  HIS 110           1HD      HIS 110  10.095  22.065   3.693
  858    HD2  HIS 110           2HD      HIS 110  14.163  22.489   4.475
  859    HE1  HIS 110           1HE      HIS 110  10.251  23.571   5.704
  860    HE2  HIS 110           2HE      HIS 110  12.720  23.894   6.107
  861    H    HIS 111           HN       HIS 111  13.178  21.979  -1.115
  862    HA   HIS 111           HA       HIS 111  14.246  24.620  -0.500
  863    HB2  HIS 111           2HB      HIS 111  15.875  22.206  -0.808
  864    HB3  HIS 111           1HB      HIS 111  16.358  23.518  -1.871
  865    HD1  HIS 111           1HD      HIS 111  18.077  22.471   0.550
  866    HD2  HIS 111           2HD      HIS 111  15.606  25.819   0.593
  867    HE1  HIS 111           1HE      HIS 111  18.964  23.948   2.384
  868    HE2  HIS 111           2HE      HIS 111  17.507  26.006   2.342
  869    H    HIS 112           HN       HIS 112  15.443  22.734  -3.162
  870    HA   HIS 112           HA       HIS 112  13.530  23.819  -5.058
  871    HB2  HIS 112           2HB      HIS 112  15.508  25.497  -4.501
  872    HB3  HIS 112           1HB      HIS 112  16.414  24.450  -5.584
  873    HD1  HIS 112           1HD      HIS 112  14.691  27.493  -5.680
  874    HD2  HIS 112           2HD      HIS 112  14.713  24.155  -8.164
  875    HE1  HIS 112           1HE      HIS 112  13.854  28.298  -7.907
  876    HE2  HIS 112           2HE      HIS 112  14.085  26.315  -9.445
  877    H    HIS 113           HN       HIS 113  14.574  21.225  -4.058
  878    HA   HIS 113           HA       HIS 113  15.299  19.190  -4.724
  879    HB2  HIS 113           2HB      HIS 113  13.609  19.537  -6.539
  880    HB3  HIS 113           1HB      HIS 113  14.898  20.168  -7.558
  881    HD1  HIS 113           1HD      HIS 113  16.230  18.487  -8.864
  882    HD2  HIS 113           2HD      HIS 113  13.970  16.737  -5.843
  883    HE1  HIS 113           1HE      HIS 113  16.456  16.010  -9.197
  884    HE2  HIS 113           2HE      HIS 113  14.908  14.986  -7.497
  885    H    HIS 114           HN       HIS 114  17.338  18.857  -4.228
  886    HA   HIS 114           HA       HIS 114  19.422  20.374  -5.561
  887    HB2  HIS 114           2HB      HIS 114  20.949  19.012  -4.002
  888    HB3  HIS 114           1HB      HIS 114  19.872  20.191  -3.270
  889    HD1  HIS 114           1HD      HIS 114  18.580  19.373  -1.339
  890    HD2  HIS 114           2HD      HIS 114  19.793  16.257  -3.811
  891    HE1  HIS 114           1HE      HIS 114  17.852  17.270  -0.183
  892    HE2  HIS 114           2HE      HIS 114  18.377  15.428  -1.809
  893    H    HIS 115           HN       HIS 115  20.611  19.705  -7.175
  894    HA   HIS 115           HA       HIS 115  21.376  18.480  -8.911
  895    HB2  HIS 115           2HB      HIS 115  22.373  17.063  -7.115
  896    HB3  HIS 115           1HB      HIS 115  20.924  16.064  -7.141
  897    HD1  HIS 115           1HD      HIS 115  20.733  14.323  -8.956
  898    HD2  HIS 115           2HD      HIS 115  24.013  16.827  -9.426
  899    HE1  HIS 115           1HE      HIS 115  22.129  13.276 -10.766
  900    HE2  HIS 115           2HE      HIS 115  24.203  14.703 -10.888
  Start of MODEL    6
    1    H1   MET   1           H1       MET   1 -15.427  -0.760  18.324
    2    H2   MET   1           H2       MET   1 -16.866  -1.360  18.974
    3    H3   MET   1           H3       MET   1 -16.904  -0.042  17.912
    4    HA   MET   1           HA       MET   1 -17.612  -1.955  16.733
    5    HB2  MET   1           2HB      MET   1 -14.827  -1.011  16.070
    6    HB3  MET   1           1HB      MET   1 -15.718  -2.107  15.025
    7    HG2  MET   1           2HG      MET   1 -15.914   0.165  14.238
    8    HG3  MET   1           1HG      MET   1 -17.478  -0.438  14.774
    9    HE1  MET   1           2HE      MET   1 -16.887   2.658  14.250
   10    HE2  MET   1           3HE      MET   1 -17.702   3.359  15.647
   11    HE3  MET   1           1HE      MET   1 -18.444   2.017  14.778
   12    H    GLN   2           HN       GLN   2 -16.919  -4.039  15.731
   13    HA   GLN   2           HA       GLN   2 -16.160  -5.837  17.809
   14    HB2  GLN   2           2HB      GLN   2 -17.807  -6.211  15.895
   15    HB3  GLN   2           1HB      GLN   2 -16.415  -6.546  14.894
   16    HG2  GLN   2           2HG      GLN   2 -16.892  -8.033  17.446
   17    HG3  GLN   2           1HG      GLN   2 -17.712  -8.494  15.960
   18   HE21  GLN   2          1HE2      GLN   2 -15.792  -9.939  17.585
   19   HE22  GLN   2          2HE2      GLN   2 -14.470 -10.334  16.534
   20    H    ALA   3           HN       ALA   3 -14.421  -7.217  17.870
   21    HA   ALA   3           HA       ALA   3 -11.964  -5.991  16.933
   22    HB1  ALA   3           1HB      ALA   3 -10.830  -7.561  18.410
   23    HB2  ALA   3           2HB      ALA   3 -12.352  -8.403  18.708
   24    HB3  ALA   3           3HB      ALA   3 -12.141  -6.743  19.263
   25    H    ILE   4           HN       ILE   4 -12.264  -6.406  14.726
   26    HA   ILE   4           HA       ILE   4 -12.585  -8.949  13.579
   27    HB   ILE   4           HB       ILE   4 -11.273  -6.504  12.393
   28   HG12  ILE   4          2HG1      ILE   4 -14.158  -7.404  12.277
   29   HG13  ILE   4          1HG1      ILE   4 -13.550  -6.076  13.258
   30   HG21  ILE   4          1HG2      ILE   4 -10.805  -8.503  11.091
   31   HG22  ILE   4          2HG2      ILE   4 -11.933  -7.459  10.228
   32   HG23  ILE   4          3HG2      ILE   4 -12.524  -8.900  11.054
   33   HD11  ILE   4          3HD1      ILE   4 -14.635  -5.266  11.248
   34   HD12  ILE   4          1HD1      ILE   4 -13.526  -6.206  10.249
   35   HD13  ILE   4          2HD1      ILE   4 -12.915  -4.873  11.230
   36    H    THR   5           HN       THR   5  -9.739  -7.171  14.601
   37    HA   THR   5           HA       THR   5  -7.761  -8.525  13.197
   38    HB   THR   5           HB       THR   5  -6.274  -7.864  15.154
   39    HG1  THR   5           1HG      THR   5  -7.497  -7.641  16.912
   40   HG21  THR   5          3HG2      THR   5  -6.567  -6.448  13.175
   41   HG22  THR   5          1HG2      THR   5  -6.414  -5.474  14.636
   42   HG23  THR   5          2HG2      THR   5  -7.999  -5.720  13.900
   43    H    GLU   6           HN       GLU   6  -9.325  -9.331  16.250
   44    HA   GLU   6           HA       GLU   6  -7.481 -11.309  17.051
   45    HB2  GLU   6           2HB      GLU   6 -10.374 -11.178  17.886
   46    HB3  GLU   6           1HB      GLU   6  -9.013 -11.813  18.799
   47    HG2  GLU   6           2HG      GLU   6  -9.530  -8.933  18.119
   48    HG3  GLU   6           1HG      GLU   6  -9.694  -9.689  19.700
   49    H    ARG   7           HN       ARG   7 -10.564 -11.500  15.299
   50    HA   ARG   7           HA       ARG   7 -10.569 -14.360  15.303
   51    HB2  ARG   7           2HB      ARG   7 -12.433 -14.153  13.662
   52    HB3  ARG   7           1HB      ARG   7 -12.696 -13.277  15.161
   53    HG2  ARG   7           2HG      ARG   7 -12.150 -11.187  14.077
   54    HG3  ARG   7           1HG      ARG   7 -11.767 -12.040  12.581
   55    HD2  ARG   7           2HD      ARG   7 -14.020 -11.002  12.572
   56    HD3  ARG   7           1HD      ARG   7 -14.052 -12.749  12.338
   57    HE   ARG   7           HE       ARG   7 -14.373 -12.391  15.036
   58   HH11  ARG   7          1HH1      ARG   7 -16.071 -11.315  12.173
   59   HH12  ARG   7          2HH1      ARG   7 -17.619 -11.260  12.956
   60   HH21  ARG   7          1HH2      ARG   7 -16.411 -12.337  16.066
   61   HH22  ARG   7          2HH2      ARG   7 -17.813 -11.828  15.166
   62    H    LEU   8           HN       LEU   8  -9.357 -11.897  13.131
   63    HA   LEU   8           HA       LEU   8  -9.075 -13.528  10.848
   64    HB2  LEU   8           2HB      LEU   8  -7.568 -11.058  11.699
   65    HB3  LEU   8           1HB      LEU   8  -7.375 -11.826  10.135
   66    HG   LEU   8           HG       LEU   8  -9.926 -10.594  11.185
   67   HD11  LEU   8          1HD1      LEU   8  -8.218  -8.942  10.633
   68   HD12  LEU   8          2HD1      LEU   8  -9.541  -8.903   9.468
   69   HD13  LEU   8          3HD1      LEU   8  -8.014  -9.676   9.041
   70   HD21  LEU   8          3HD2      LEU   8 -10.383 -12.485   9.726
   71   HD22  LEU   8          1HD2      LEU   8  -9.285 -11.831   8.508
   72   HD23  LEU   8          2HD2      LEU   8 -10.770 -10.970   8.911
   73    H    GLU   9           HN       GLU   9  -6.668 -12.616  13.344
   74    HA   GLU   9           HA       GLU   9  -4.590 -14.133  12.175
   75    HB2  GLU   9           2HB      GLU   9  -3.414 -13.840  14.340
   76    HB3  GLU   9           1HB      GLU   9  -4.028 -12.337  13.669
   77    HG2  GLU   9           2HG      GLU   9  -5.879 -12.363  15.221
   78    HG3  GLU   9           1HG      GLU   9  -5.356 -13.925  15.853
   79    H    ALA  10           HN       ALA  10  -7.087 -14.920  14.474
   80    HA   ALA  10           HA       ALA  10  -6.063 -17.349  15.435
   81    HB1  ALA  10           1HB      ALA  10  -8.951 -16.578  15.057
   82    HB2  ALA  10           2HB      ALA  10  -7.959 -16.166  16.456
   83    HB3  ALA  10           3HB      ALA  10  -8.338 -17.854  16.107
   84    H    MET  11           HN       MET  11  -8.087 -16.619  12.616
   85    HA   MET  11           HA       MET  11  -8.605 -19.287  11.900
   86    HB2  MET  11           2HB      MET  11  -8.626 -16.738  10.294
   87    HB3  MET  11           1HB      MET  11  -9.106 -18.289   9.630
   88    HG2  MET  11           2HG      MET  11 -10.838 -18.461  11.382
   89    HG3  MET  11           1HG      MET  11 -10.389 -16.852  11.937
   90    HE1  MET  11           3HE      MET  11 -11.345 -14.625   8.876
   91    HE2  MET  11           1HE      MET  11  -9.775 -15.336   9.247
   92    HE3  MET  11           2HE      MET  11 -10.755 -14.635  10.536
   93    H    LEU  12           HN       LEU  12  -6.085 -17.030  10.789
   94    HA   LEU  12           HA       LEU  12  -4.889 -18.742   8.922
   95    HB2  LEU  12           2HB      LEU  12  -3.859 -16.438  10.536
   96    HB3  LEU  12           1HB      LEU  12  -2.753 -17.381   9.560
   97    HG   LEU  12           HG       LEU  12  -4.242 -16.848   7.576
   98   HD11  LEU  12          1HD1      LEU  12  -6.239 -16.196   8.787
   99   HD12  LEU  12          2HD1      LEU  12  -5.663 -14.871   7.774
  100   HD13  LEU  12          3HD1      LEU  12  -5.373 -14.843   9.513
  101   HD21  LEU  12          3HD2      LEU  12  -3.263 -14.638   7.267
  102   HD22  LEU  12          1HD2      LEU  12  -2.095 -15.758   7.969
  103   HD23  LEU  12          2HD2      LEU  12  -2.888 -14.557   8.987
  104    H    ALA  13           HN       ALA  13  -4.466 -18.456  12.402
  105    HA   ALA  13           HA       ALA  13  -2.203 -20.173  12.566
  106    HB1  ALA  13           1HB      ALA  13  -2.600 -20.147  14.976
  107    HB2  ALA  13           2HB      ALA  13  -4.171 -19.391  14.713
  108    HB3  ALA  13           3HB      ALA  13  -2.695 -18.524  14.295
  109    H    GLN  14           HN       GLN  14  -5.560 -20.754  12.211
  110    HA   GLN  14           HA       GLN  14  -5.368 -23.475  13.250
  111    HB2  GLN  14           2HB      GLN  14  -7.706 -21.897  12.167
  112    HB3  GLN  14           1HB      GLN  14  -7.817 -23.554  12.747
  113    HG2  GLN  14           2HG      GLN  14  -7.251 -22.902  14.964
  114    HG3  GLN  14           1HG      GLN  14  -6.825 -21.276  14.435
  115   HE21  GLN  14          1HE2      GLN  14  -8.257 -20.331  15.864
  116   HE22  GLN  14          2HE2      GLN  14  -9.975 -20.364  15.616
  117    H    GLY  15           HN       GLY  15  -4.517 -22.053  10.470
  118    HA2  GLY  15           2HA      GLY  15  -3.691 -23.384   8.663
  119    HA3  GLY  15           1HA      GLY  15  -4.976 -24.543   8.971
  120    H    THR  16           HN       THR  16  -6.295 -21.529   9.194
  121    HA   THR  16           HA       THR  16  -7.251 -21.631   6.422
  122    HB   THR  16           HB       THR  16  -8.341 -19.906   8.657
  123    HG1  THR  16           1HG      THR  16  -8.375 -22.571   8.482
  124   HG21  THR  16          3HG2      THR  16 -10.400 -19.985   7.306
  125   HG22  THR  16          1HG2      THR  16  -9.562 -20.954   6.093
  126   HG23  THR  16          2HG2      THR  16  -9.057 -19.291   6.396
  127    H    ASP  17           HN       ASP  17  -4.829 -20.884   6.277
  128    HA   ASP  17           HA       ASP  17  -4.188 -18.200   6.976
  129    HB2  ASP  17           2HB      ASP  17  -2.431 -19.803   6.919
  130    HB3  ASP  17           1HB      ASP  17  -2.839 -20.297   5.283
  131    H    ASN  18           HN       ASN  18  -4.120 -19.624   3.712
  132    HA   ASN  18           HA       ASN  18  -4.830 -18.895   1.686
  133    HB2  ASN  18           2HB      ASN  18  -6.530 -16.964   3.279
  134    HB3  ASN  18           1HB      ASN  18  -6.658 -17.228   1.545
  135   HD21  ASN  18          1HD2      ASN  18  -7.373 -18.454   4.688
  136   HD22  ASN  18          2HD2      ASN  18  -8.375 -19.769   4.169
  137    H    MET  19           HN       MET  19  -4.939 -16.845   0.265
  138    HA   MET  19           HA       MET  19  -2.586 -15.233   0.897
  139    HB2  MET  19           2HB      MET  19  -2.636 -16.285  -1.298
  140    HB3  MET  19           1HB      MET  19  -4.194 -15.558  -1.649
  141    HG2  MET  19           2HG      MET  19  -1.797 -13.854  -1.097
  142    HG3  MET  19           1HG      MET  19  -2.081 -14.543  -2.694
  143    HE1  MET  19           3HE      MET  19  -2.112 -12.144  -3.805
  144    HE2  MET  19           1HE      MET  19  -1.786 -11.421  -2.232
  145    HE3  MET  19           2HE      MET  19  -3.109 -10.810  -3.223
  146    H    LEU  20           HN       LEU  20  -5.963 -14.804  -0.115
  147    HA   LEU  20           HA       LEU  20  -5.963 -11.990  -0.077
  148    HB2  LEU  20           2HB      LEU  20  -7.634 -13.555  -1.168
  149    HB3  LEU  20           1HB      LEU  20  -8.339 -13.786   0.414
  150    HG   LEU  20           HG       LEU  20  -9.478 -12.139  -1.172
  151   HD11  LEU  20          1HD1      LEU  20  -8.713 -11.189   1.582
  152   HD12  LEU  20          2HD1      LEU  20 -10.036 -12.288   1.192
  153   HD13  LEU  20          3HD1      LEU  20 -10.083 -10.616   0.631
  154   HD21  LEU  20          3HD2      LEU  20  -8.598  -9.878  -1.215
  155   HD22  LEU  20          1HD2      LEU  20  -7.449 -11.008  -1.930
  156   HD23  LEU  20          2HD2      LEU  20  -7.183 -10.396  -0.296
  157    H    LEU  21           HN       LEU  21  -6.474 -14.363   2.435
  158    HA   LEU  21           HA       LEU  21  -7.642 -12.545   4.291
  159    HB2  LEU  21           2HB      LEU  21  -7.802 -15.111   4.222
  160    HB3  LEU  21           1HB      LEU  21  -6.244 -15.099   5.026
  161    HG   LEU  21           HG       LEU  21  -7.167 -13.974   6.948
  162   HD11  LEU  21          1HD1      LEU  21  -8.740 -12.505   5.788
  163   HD12  LEU  21          2HD1      LEU  21  -9.536 -13.390   7.089
  164   HD13  LEU  21          3HD1      LEU  21  -9.764 -13.889   5.413
  165   HD21  LEU  21          3HD2      LEU  21  -8.753 -15.656   7.718
  166   HD22  LEU  21          1HD2      LEU  21  -7.422 -16.408   6.837
  167   HD23  LEU  21          2HD2      LEU  21  -8.991 -16.207   6.060
  168    H    ARG  22           HN       ARG  22  -4.356 -13.598   3.587
  169    HA   ARG  22           HA       ARG  22  -3.046 -12.403   5.769
  170    HB2  ARG  22           2HB      ARG  22  -2.092 -12.767   2.923
  171    HB3  ARG  22           1HB      ARG  22  -1.064 -12.263   4.253
  172    HG2  ARG  22           2HG      ARG  22  -1.496 -14.401   5.377
  173    HG3  ARG  22           1HG      ARG  22  -2.484 -14.905   4.002
  174    HD2  ARG  22           2HD      ARG  22  -0.524 -14.610   2.527
  175    HD3  ARG  22           1HD      ARG  22   0.448 -14.194   3.936
  176    HE   ARG  22           HE       ARG  22  -0.855 -16.750   4.164
  177   HH11  ARG  22          1HH1      ARG  22   1.963 -15.084   2.918
  178   HH12  ARG  22          2HH1      ARG  22   2.967 -16.499   2.905
  179   HH21  ARG  22          1HH2      ARG  22   0.418 -18.607   4.121
  180   HH22  ARG  22          2HH2      ARG  22   2.081 -18.527   3.602
  181    H    PHE  23           HN       PHE  23  -3.986 -11.145   2.606
  182    HA   PHE  23           HA       PHE  23  -2.829  -8.588   2.886
  183    HB2  PHE  23           2HB      PHE  23  -3.468  -9.456   0.701
  184    HB3  PHE  23           1HB      PHE  23  -5.160  -9.501   1.182
  185    HD1  PHE  23           1HD      PHE  23  -2.314  -7.233   0.525
  186    HD2  PHE  23           2HD      PHE  23  -6.531  -7.609   0.954
  187    HE1  PHE  23           1HE      PHE  23  -2.598  -4.934  -0.298
  188    HE2  PHE  23           2HE      PHE  23  -6.822  -5.307   0.135
  189    HZ   PHE  23           HZ       PHE  23  -4.854  -3.970  -0.489
  190    H    THR  24           HN       THR  24  -5.971  -9.891   3.754
  191    HA   THR  24           HA       THR  24  -7.318  -7.517   4.336
  192    HB   THR  24           HB       THR  24  -7.643 -10.192   5.719
  193    HG1  THR  24           1HG      THR  24  -7.874 -10.312   3.421
  194   HG21  THR  24          3HG2      THR  24  -8.774  -8.381   6.909
  195   HG22  THR  24          1HG2      THR  24  -9.949  -9.438   6.128
  196   HG23  THR  24          2HG2      THR  24  -9.559  -7.872   5.414
  197    H    LEU  25           HN       LEU  25  -5.073  -9.416   6.271
  198    HA   LEU  25           HA       LEU  25  -5.356  -7.892   8.656
  199    HB2  LEU  25           2HB      LEU  25  -3.248  -9.773   7.632
  200    HB3  LEU  25           1HB      LEU  25  -3.025  -8.889   9.130
  201    HG   LEU  25           HG       LEU  25  -5.338 -10.759   8.599
  202   HD11  LEU  25          1HD1      LEU  25  -3.248 -11.998   8.624
  203   HD12  LEU  25          2HD1      LEU  25  -4.157 -12.304  10.103
  204   HD13  LEU  25          3HD1      LEU  25  -2.776 -11.208  10.127
  205   HD21  LEU  25          3HD2      LEU  25  -5.671 -10.592  11.015
  206   HD22  LEU  25          1HD2      LEU  25  -5.794  -9.008  10.246
  207   HD23  LEU  25          2HD2      LEU  25  -4.331  -9.450  11.126
  208    H    GLY  26           HN       GLY  26  -3.121  -7.745   5.911
  209    HA2  GLY  26           2HA      GLY  26  -1.339  -5.864   6.998
  210    HA3  GLY  26           1HA      GLY  26  -1.559  -6.181   5.285
  211    H    LYS  27           HN       LYS  27  -4.158  -5.360   4.882
  212    HA   LYS  27           HA       LYS  27  -3.790  -2.580   4.626
  213    HB2  LYS  27           2HB      LYS  27  -6.090  -2.549   3.764
  214    HB3  LYS  27           1HB      LYS  27  -5.145  -3.844   3.048
  215    HG2  LYS  27           2HG      LYS  27  -6.194  -5.408   4.685
  216    HG3  LYS  27           1HG      LYS  27  -7.240  -4.082   5.192
  217    HD2  LYS  27           2HD      LYS  27  -7.072  -5.254   2.417
  218    HD3  LYS  27           1HD      LYS  27  -8.364  -5.526   3.584
  219    HE2  LYS  27           2HE      LYS  27  -8.765  -3.042   3.558
  220    HE3  LYS  27           1HE      LYS  27  -7.633  -2.953   2.207
  221    HZ1  LYS  27           3HZ      LYS  27 -10.137  -4.551   2.245
  222    HZ2  LYS  27           1HZ      LYS  27  -9.060  -4.434   0.944
  223    HZ3  LYS  27           2HZ      LYS  27  -9.932  -3.068   1.454
  224    H    THR  28           HN       THR  28  -5.544  -4.523   6.976
  225    HA   THR  28           HA       THR  28  -6.900  -2.365   8.226
  226    HB   THR  28           HB       THR  28  -6.194  -5.068   9.391
  227    HG1  THR  28           1HG      THR  28  -7.487  -5.655   7.784
  228   HG21  THR  28          3HG2      THR  28  -6.923  -3.429  11.071
  229   HG22  THR  28          1HG2      THR  28  -8.130  -4.694  10.843
  230   HG23  THR  28          2HG2      THR  28  -8.372  -3.105  10.121
  231    H    TYR  29           HN       TYR  29  -3.835  -4.029   8.878
  232    HA   TYR  29           HA       TYR  29  -3.223  -2.685  11.272
  233    HB2  TYR  29           2HB      TYR  29  -1.458  -3.976   9.195
  234    HB3  TYR  29           1HB      TYR  29  -0.811  -3.240  10.657
  235    HD1  TYR  29           2HD      TYR  29  -2.986  -4.108  12.573
  236    HD2  TYR  29           1HD      TYR  29  -0.879  -6.229   9.545
  237    HE1  TYR  29           2HE      TYR  29  -3.349  -6.210  13.799
  238    HE2  TYR  29           1HE      TYR  29  -1.233  -8.334  10.761
  239    HH   TYR  29           HH       TYR  29  -3.423  -8.642  13.341
  240    H    ALA  30           HN       ALA  30  -2.609  -1.879   7.890
  241    HA   ALA  30           HA       ALA  30  -0.938   0.345   8.331
  242    HB1  ALA  30           1HB      ALA  30  -1.448   0.969   6.039
  243    HB2  ALA  30           2HB      ALA  30  -2.811  -0.149   6.021
  244    HB3  ALA  30           3HB      ALA  30  -1.164  -0.767   6.155
  245    H    GLU  31           HN       GLU  31  -4.437   0.019   8.221
  246    HA   GLU  31           HA       GLU  31  -5.064   2.775   8.268
  247    HB2  GLU  31           2HB      GLU  31  -6.610   0.347   9.183
  248    HB3  GLU  31           1HB      GLU  31  -7.285   1.969   9.151
  249    HG2  GLU  31           2HG      GLU  31  -6.165   0.575   6.733
  250    HG3  GLU  31           1HG      GLU  31  -7.866   0.540   7.191
  251    H    HIS  32           HN       HIS  32  -3.964   0.597  10.699
  252    HA   HIS  32           HA       HIS  32  -4.718   2.444  12.849
  253    HB2  HIS  32           2HB      HIS  32  -3.985  -0.463  12.776
  254    HB3  HIS  32           1HB      HIS  32  -3.777   0.447  14.264
  255    HD1  HIS  32           1HD      HIS  32  -5.644  -0.303  15.711
  256    HD2  HIS  32           2HD      HIS  32  -6.892   0.529  11.833
  257    HE1  HIS  32           1HE      HIS  32  -8.152  -0.493  15.750
  258    HE2  HIS  32           2HE      HIS  32  -8.884   0.237  13.450
  259    H    GLU  33           HN       GLU  33  -2.363   2.455  10.793
  260    HA   GLU  33           HA       GLU  33  -0.264   3.317  10.748
  261    HB2  GLU  33           2HB      GLU  33  -1.232   4.896  12.440
  262    HB3  GLU  33           1HB      GLU  33  -0.620   3.844  13.705
  263    HG2  GLU  33           2HG      GLU  33   1.657   4.251  12.967
  264    HG3  GLU  33           1HG      GLU  33   1.061   5.261  11.650
  265    H    GLN  34           HN       GLN  34  -0.997   0.505  11.764
  266    HA   GLN  34           HA       GLN  34   1.439  -0.245  13.179
  267    HB2  GLN  34           2HB      GLN  34  -0.995  -1.819  12.322
  268    HB3  GLN  34           1HB      GLN  34   0.409  -2.557  13.076
  269    HG2  GLN  34           2HG      GLN  34  -1.275  -0.401  14.332
  270    HG3  GLN  34           1HG      GLN  34  -1.439  -2.128  14.644
  271   HE21  GLN  34          1HE2      GLN  34  -0.803   0.019  16.488
  272   HE22  GLN  34          2HE2      GLN  34   0.729  -0.386  17.189
  273    H    PHE  35           HN       PHE  35   2.052   0.816  10.791
  274    HA   PHE  35           HA       PHE  35   2.031  -0.785   8.521
  275    HB2  PHE  35           2HB      PHE  35   4.131   1.224   9.357
  276    HB3  PHE  35           1HB      PHE  35   3.897   0.608   7.725
  277    HD1  PHE  35           2HD      PHE  35   1.696   1.088   6.571
  278    HD2  PHE  35           1HD      PHE  35   2.925   3.069  10.130
  279    HE1  PHE  35           2HE      PHE  35   0.093   2.894   6.115
  280    HE2  PHE  35           1HE      PHE  35   1.323   4.883   9.676
  281    HZ   PHE  35           HZ       PHE  35  -0.094   4.796   7.664
  282    H    ASP  36           HN       ASP  36   4.147  -0.840  11.284
  283    HA   ASP  36           HA       ASP  36   6.253  -2.388  10.277
  284    HB2  ASP  36           2HB      ASP  36   6.238  -1.187  12.459
  285    HB3  ASP  36           1HB      ASP  36   5.124  -2.395  13.081
  286    H    ALA  37           HN       ALA  37   3.268  -3.316  11.905
  287    HA   ALA  37           HA       ALA  37   3.711  -6.137  11.689
  288    HB1  ALA  37           1HB      ALA  37   1.183  -4.616  12.319
  289    HB2  ALA  37           2HB      ALA  37   2.362  -5.199  13.495
  290    HB3  ALA  37           3HB      ALA  37   1.431  -6.348  12.536
  291    H    ALA  38           HN       ALA  38   2.219  -3.698   9.738
  292    HA   ALA  38           HA       ALA  38   0.665  -5.415   8.094
  293    HB1  ALA  38           1HB      ALA  38   0.193  -3.031   8.312
  294    HB2  ALA  38           2HB      ALA  38   0.436  -3.490   6.627
  295    HB3  ALA  38           3HB      ALA  38   1.716  -2.653   7.506
  296    H    LEU  39           HN       LEU  39   3.960  -4.174   7.916
  297    HA   LEU  39           HA       LEU  39   4.549  -4.566   5.268
  298    HB2  LEU  39           2HB      LEU  39   6.256  -4.788   7.715
  299    HB3  LEU  39           1HB      LEU  39   6.926  -5.039   6.119
  300    HG   LEU  39           HG       LEU  39   5.547  -2.509   7.022
  301   HD11  LEU  39          1HD1      LEU  39   7.663  -2.862   8.195
  302   HD12  LEU  39          2HD1      LEU  39   7.774  -1.529   7.047
  303   HD13  LEU  39          3HD1      LEU  39   8.481  -3.094   6.650
  304   HD21  LEU  39          3HD2      LEU  39   7.104  -3.152   4.518
  305   HD22  LEU  39          1HD2      LEU  39   6.453  -1.571   4.952
  306   HD23  LEU  39          2HD2      LEU  39   5.360  -2.915   4.623
  307    HA   PRO  40           HA       PRO  40   6.055  -9.114   6.022
  308    HB2  PRO  40           2HB      PRO  40   4.866 -10.411   8.144
  309    HB3  PRO  40           1HB      PRO  40   6.478  -9.694   8.188
  310    HG2  PRO  40           2HG      PRO  40   3.888  -8.601   9.194
  311    HG3  PRO  40           1HG      PRO  40   5.504  -8.510   9.917
  312    HD2  PRO  40           2HD      PRO  40   4.409  -6.427   8.616
  313    HD3  PRO  40           1HD      PRO  40   6.153  -6.756   8.563
  314    H    HIS  41           HN       HIS  41   2.784  -8.331   7.130
  315    HA   HIS  41           HA       HIS  41   1.601 -10.663   5.989
  316    HB2  HIS  41           2HB      HIS  41   0.450  -8.114   7.109
  317    HB3  HIS  41           1HB      HIS  41  -0.565  -9.379   6.419
  318    HD1  HIS  41           1HD      HIS  41   1.266  -8.453   9.491
  319    HD2  HIS  41           2HD      HIS  41  -0.480 -11.855   7.852
  320    HE1  HIS  41           1HE      HIS  41   1.091 -10.106  11.377
  321    HE2  HIS  41           2HE      HIS  41   0.263 -12.230  10.295
  322    H    LEU  42           HN       LEU  42   1.961  -7.316   4.959
  323    HA   LEU  42           HA       LEU  42   0.428  -7.591   2.576
  324    HB2  LEU  42           2HB      LEU  42   0.885  -5.426   3.649
  325    HB3  LEU  42           1HB      LEU  42   2.592  -5.611   3.299
  326    HG   LEU  42           HG       LEU  42   2.095  -5.526   0.881
  327   HD11  LEU  42          1HD1      LEU  42  -0.125  -4.827   0.133
  328   HD12  LEU  42          2HD1      LEU  42  -0.725  -4.954   1.786
  329   HD13  LEU  42          3HD1      LEU  42  -0.177  -6.398   0.932
  330   HD21  LEU  42          3HD2      LEU  42   1.554  -3.144   0.793
  331   HD22  LEU  42          1HD2      LEU  42   2.707  -3.492   2.081
  332   HD23  LEU  42          2HD2      LEU  42   1.013  -3.200   2.469
  333    H    ARG  43           HN       ARG  43   3.861  -7.829   3.355
  334    HA   ARG  43           HA       ARG  43   4.846  -8.096   0.734
  335    HB2  ARG  43           2HB      ARG  43   6.087  -7.718   2.994
  336    HB3  ARG  43           1HB      ARG  43   6.104  -9.471   3.091
  337    HG2  ARG  43           2HG      ARG  43   8.182  -8.748   2.180
  338    HG3  ARG  43           1HG      ARG  43   7.259  -9.518   0.885
  339    HD2  ARG  43           2HD      ARG  43   6.615  -7.374   0.004
  340    HD3  ARG  43           1HD      ARG  43   7.360  -6.547   1.371
  341    HE   ARG  43           HE       ARG  43   9.144  -8.188  -0.224
  342   HH11  ARG  43          1HH1      ARG  43   7.827  -5.004   0.364
  343   HH12  ARG  43          2HH1      ARG  43   9.123  -4.167  -0.436
  344   HH21  ARG  43          1HH2      ARG  43  10.836  -7.111  -1.305
  345   HH22  ARG  43          2HH2      ARG  43  10.830  -5.375  -1.418
  346    H    ALA  44           HN       ALA  44   3.811 -10.493   3.120
  347    HA   ALA  44           HA       ALA  44   4.534 -12.783   1.659
  348    HB1  ALA  44           1HB      ALA  44   4.082 -12.819   4.059
  349    HB2  ALA  44           2HB      ALA  44   3.097 -14.004   3.200
  350    HB3  ALA  44           3HB      ALA  44   2.379 -12.488   3.746
  351    H    ALA  45           HN       ALA  45   1.639 -10.792   1.611
  352    HA   ALA  45           HA       ALA  45   0.033 -12.609   0.125
  353    HB1  ALA  45           1HB      ALA  45  -0.208  -9.605   0.285
  354    HB2  ALA  45           2HB      ALA  45  -0.907 -10.746   1.434
  355    HB3  ALA  45           3HB      ALA  45  -1.458 -10.732  -0.241
  356    H    LEU  46           HN       LEU  46   1.997  -9.805  -0.799
  357    HA   LEU  46           HA       LEU  46   1.465 -10.019  -3.582
  358    HB2  LEU  46           2HB      LEU  46   3.576  -8.568  -2.013
  359    HB3  LEU  46           1HB      LEU  46   3.518  -8.521  -3.767
  360    HG   LEU  46           HG       LEU  46   1.306  -7.598  -1.931
  361   HD11  LEU  46          1HD1      LEU  46   1.929  -5.359  -2.644
  362   HD12  LEU  46          2HD1      LEU  46   3.272  -6.021  -3.577
  363   HD13  LEU  46          3HD1      LEU  46   3.270  -6.158  -1.819
  364   HD21  LEU  46          3HD2      LEU  46   1.622  -7.408  -4.926
  365   HD22  LEU  46          1HD2      LEU  46   0.334  -6.666  -3.976
  366   HD23  LEU  46          2HD2      LEU  46   0.467  -8.422  -4.061
  367    H    ASP  47           HN       ASP  47   3.751 -11.525  -1.477
  368    HA   ASP  47           HA       ASP  47   5.711 -12.332  -3.276
  369    HB2  ASP  47           2HB      ASP  47   5.668 -12.659  -0.749
  370    HB3  ASP  47           1HB      ASP  47   4.647 -14.063  -1.041
  371    H    PHE  48           HN       PHE  48   2.590 -13.811  -2.502
  372    HA   PHE  48           HA       PHE  48   2.964 -15.919  -4.435
  373    HB2  PHE  48           2HB      PHE  48   0.605 -15.133  -2.727
  374    HB3  PHE  48           1HB      PHE  48   0.566 -16.473  -3.868
  375    HD1  PHE  48           1HD      PHE  48   2.267 -18.338  -3.565
  376    HD2  PHE  48           2HD      PHE  48   1.434 -15.429  -0.572
  377    HE1  PHE  48           1HE      PHE  48   3.237 -19.820  -1.858
  378    HE2  PHE  48           2HE      PHE  48   2.397 -16.907   1.138
  379    HZ   PHE  48           HZ       PHE  48   3.303 -19.105   0.497
  380    H    ASP  49           HN       ASP  49   1.021 -12.947  -4.221
  381    HA   ASP  49           HA       ASP  49   0.655 -13.117  -7.127
  382    HB2  ASP  49           2HB      ASP  49  -1.432 -13.890  -5.911
  383    HB3  ASP  49           1HB      ASP  49  -1.596 -12.237  -5.322
  384    HA   PRO  50           HA       PRO  50   2.292  -8.999  -6.041
  385    HB2  PRO  50           2HB      PRO  50   3.747  -8.698  -8.302
  386    HB3  PRO  50           1HB      PRO  50   4.329  -9.631  -6.918
  387    HG2  PRO  50           2HG      PRO  50   3.068 -10.592  -9.458
  388    HG3  PRO  50           1HG      PRO  50   4.470 -11.244  -8.590
  389    HD2  PRO  50           2HD      PRO  50   1.992 -12.332  -8.407
  390    HD3  PRO  50           1HD      PRO  50   3.164 -12.380  -7.074
  391    H    THR  51           HN       THR  51   0.123 -10.153  -8.296
  392    HA   THR  51           HA       THR  51  -0.129  -7.644  -9.764
  393    HB   THR  51           HB       THR  51  -1.920  -9.049 -11.012
  394    HG1  THR  51           1HG      THR  51  -1.595 -10.744  -9.201
  395   HG21  THR  51          3HG2      THR  51   1.012  -9.757 -11.177
  396   HG22  THR  51          1HG2      THR  51   0.223  -8.404 -11.988
  397   HG23  THR  51          2HG2      THR  51  -0.188 -10.061 -12.433
  398    H    TYR  52           HN       TYR  52  -1.014  -8.109  -6.886
  399    HA   TYR  52           HA       TYR  52  -3.880  -7.734  -7.095
  400    HB2  TYR  52           2HB      TYR  52  -2.633  -8.949  -5.173
  401    HB3  TYR  52           1HB      TYR  52  -2.283  -7.327  -4.577
  402    HD1  TYR  52           2HD      TYR  52  -4.941  -9.776  -5.239
  403    HD2  TYR  52           1HD      TYR  52  -4.021  -5.965  -3.590
  404    HE1  TYR  52           2HE      TYR  52  -7.154  -9.714  -4.164
  405    HE2  TYR  52           1HE      TYR  52  -6.229  -5.894  -2.514
  406    HH   TYR  52           HH       TYR  52  -8.471  -6.883  -2.847
  407    H    SER  53           HN       SER  53  -4.350  -5.864  -8.042
  408    HA   SER  53           HA       SER  53  -2.898  -3.574  -8.247
  409    HB2  SER  53           2HB      SER  53  -5.918  -3.658  -8.154
  410    HB3  SER  53           1HB      SER  53  -4.913  -2.493  -9.013
  411    HG   SER  53           HG       SER  53  -5.344  -3.880 -10.592
  412    H    VAL  54           HN       VAL  54  -5.293  -4.270  -5.721
  413    HA   VAL  54           HA       VAL  54  -5.373  -1.689  -4.613
  414    HB   VAL  54           HB       VAL  54  -5.822  -4.299  -3.161
  415   HG11  VAL  54          1HG1      VAL  54  -7.309  -2.964  -1.727
  416   HG12  VAL  54          2HG1      VAL  54  -6.809  -1.510  -2.592
  417   HG13  VAL  54          3HG1      VAL  54  -5.634  -2.421  -1.646
  418   HG21  VAL  54          3HG2      VAL  54  -7.173  -4.210  -5.178
  419   HG22  VAL  54          1HG2      VAL  54  -7.767  -2.610  -4.731
  420   HG23  VAL  54          2HG2      VAL  54  -8.189  -4.014  -3.749
  421    H    ALA  55           HN       ALA  55  -3.199  -4.391  -4.107
  422    HA   ALA  55           HA       ALA  55  -2.039  -3.430  -1.690
  423    HB1  ALA  55           1HB      ALA  55  -2.017  -5.796  -2.281
  424    HB2  ALA  55           2HB      ALA  55  -0.380  -5.186  -2.036
  425    HB3  ALA  55           3HB      ALA  55  -0.992  -5.442  -3.669
  426    H    TRP  56           HN       TRP  56  -1.395  -2.902  -5.078
  427    HA   TRP  56           HA       TRP  56   1.256  -2.030  -4.941
  428    HB2  TRP  56           2HB      TRP  56  -0.902  -0.956  -6.777
  429    HB3  TRP  56           1HB      TRP  56   0.832  -0.864  -7.044
  430    HD1  TRP  56           1HD      TRP  56   1.181  -4.072  -6.124
  431    HE1  TRP  56           1HE      TRP  56   0.649  -5.834  -7.911
  432    HE3  TRP  56           3HE      TRP  56  -1.685  -1.207  -9.219
  433    HZ2  TRP  56           2HZ      TRP  56  -0.808  -5.986 -10.317
  434    HZ3  TRP  56           3HZ      TRP  56  -2.620  -2.242 -11.245
  435    HH2  TRP  56           2HH      TRP  56  -2.189  -4.583 -11.779
  436    H    LYS  57           HN       LYS  57  -1.763  -0.186  -4.678
  437    HA   LYS  57           HA       LYS  57  -0.519   2.298  -4.163
  438    HB2  LYS  57           2HB      LYS  57  -2.804   2.138  -5.013
  439    HB3  LYS  57           1HB      LYS  57  -3.324   1.382  -3.519
  440    HG2  LYS  57           2HG      LYS  57  -3.031   3.362  -2.287
  441    HG3  LYS  57           1HG      LYS  57  -2.095   4.114  -3.577
  442    HD2  LYS  57           2HD      LYS  57  -4.175   5.137  -3.750
  443    HD3  LYS  57           1HD      LYS  57  -4.231   3.883  -4.985
  444    HE2  LYS  57           2HE      LYS  57  -5.367   3.559  -2.214
  445    HE3  LYS  57           1HE      LYS  57  -6.304   4.119  -3.595
  446    HZ1  LYS  57           3HZ      LYS  57  -5.034   1.467  -3.234
  447    HZ2  LYS  57           1HZ      LYS  57  -5.688   1.994  -4.708
  448    HZ3  LYS  57           2HZ      LYS  57  -6.685   1.818  -3.355
  449    H    TRP  58           HN       TRP  58  -1.583  -0.326  -2.071
  450    HA   TRP  58           HA       TRP  58  -1.298   1.054   0.386
  451    HB2  TRP  58           2HB      TRP  58  -1.392  -1.837  -0.380
  452    HB3  TRP  58           1HB      TRP  58  -0.905  -1.395   1.251
  453    HD1  TRP  58           1HD      TRP  58  -3.870  -2.375  -0.558
  454    HE1  TRP  58           1HE      TRP  58  -6.025  -1.662   0.666
  455    HE3  TRP  58           3HE      TRP  58  -1.872   1.017   2.716
  456    HZ2  TRP  58           2HZ      TRP  58  -6.770   0.084   2.742
  457    HZ3  TRP  58           3HZ      TRP  58  -3.379   2.160   4.285
  458    HH2  TRP  58           2HH      TRP  58  -5.776   1.705   4.295
  459    H    LEU  59           HN       LEU  59   0.981  -0.644  -1.682
  460    HA   LEU  59           HA       LEU  59   3.081  -1.048   0.091
  461    HB2  LEU  59           2HB      LEU  59   3.090  -0.399  -2.848
  462    HB3  LEU  59           1HB      LEU  59   4.561  -0.749  -1.963
  463    HG   LEU  59           HG       LEU  59   2.226  -2.640  -2.239
  464   HD11  LEU  59          1HD1      LEU  59   4.899  -2.597  -3.635
  465   HD12  LEU  59          2HD1      LEU  59   3.330  -2.281  -4.376
  466   HD13  LEU  59          3HD1      LEU  59   3.702  -3.887  -3.748
  467   HD21  LEU  59          3HD2      LEU  59   3.791  -4.292  -1.319
  468   HD22  LEU  59          1HD2      LEU  59   3.497  -2.976  -0.184
  469   HD23  LEU  59          2HD2      LEU  59   4.999  -3.024  -1.106
  470    H    GLY  60           HN       GLY  60   2.505   1.790  -1.976
  471    HA2  GLY  60           2HA      GLY  60   4.732   3.258  -1.100
  472    HA3  GLY  60           1HA      GLY  60   3.285   3.945  -1.825
  473    H    LYS  61           HN       LYS  61   1.426   3.119   0.140
  474    HA   LYS  61           HA       LYS  61   1.758   5.246   1.996
  475    HB2  LYS  61           2HB      LYS  61  -0.271   3.031   1.763
  476    HB3  LYS  61           1HB      LYS  61  -0.335   4.236   3.042
  477    HG2  LYS  61           2HG      LYS  61  -0.487   6.008   1.354
  478    HG3  LYS  61           1HG      LYS  61  -0.458   4.785   0.084
  479    HD2  LYS  61           2HD      LYS  61  -2.740   5.643   0.670
  480    HD3  LYS  61           1HD      LYS  61  -2.554   3.892   0.783
  481    HE2  LYS  61           2HE      LYS  61  -2.558   3.925   3.115
  482    HE3  LYS  61           1HE      LYS  61  -2.168   5.639   3.187
  483    HZ1  LYS  61           3HZ      LYS  61  -4.333   6.229   2.630
  484    HZ2  LYS  61           1HZ      LYS  61  -4.543   4.943   3.710
  485    HZ3  LYS  61           2HZ      LYS  61  -4.727   4.688   2.045
  486    H    THR  62           HN       THR  62   2.054   1.732   2.235
  487    HA   THR  62           HA       THR  62   2.405   1.667   5.045
  488    HB   THR  62           HB       THR  62   3.421  -0.366   3.042
  489    HG1  THR  62           1HG      THR  62   1.232  -0.108   2.671
  490   HG21  THR  62          3HG2      THR  62   2.591  -0.639   5.938
  491   HG22  THR  62          1HG2      THR  62   4.250  -0.662   5.337
  492   HG23  THR  62          2HG2      THR  62   3.129  -1.947   4.884
  493    H    LEU  63           HN       LEU  63   4.690   1.766   2.324
  494    HA   LEU  63           HA       LEU  63   7.027   1.658   3.922
  495    HB2  LEU  63           2HB      LEU  63   6.640   2.829   1.164
  496    HB3  LEU  63           1HB      LEU  63   8.191   2.517   1.919
  497    HG   LEU  63           HG       LEU  63   6.144   0.446   1.122
  498   HD11  LEU  63          1HD1      LEU  63   7.835  -0.269  -0.473
  499   HD12  LEU  63          2HD1      LEU  63   8.892   1.044   0.046
  500   HD13  LEU  63          3HD1      LEU  63   7.363   1.406  -0.755
  501   HD21  LEU  63          3HD2      LEU  63   7.804  -1.208   1.811
  502   HD22  LEU  63          1HD2      LEU  63   7.287  -0.214   3.172
  503   HD23  LEU  63          2HD2      LEU  63   8.849   0.081   2.408
  504    H    GLN  64           HN       GLN  64   4.994   4.286   2.784
  505    HA   GLN  64           HA       GLN  64   6.636   6.421   3.615
  506    HB2  GLN  64           2HB      GLN  64   4.756   6.756   2.093
  507    HB3  GLN  64           1HB      GLN  64   3.624   6.286   3.351
  508    HG2  GLN  64           2HG      GLN  64   3.722   8.716   3.014
  509    HG3  GLN  64           1HG      GLN  64   4.179   8.229   4.646
  510   HE21  GLN  64          1HE2      GLN  64   6.294   7.877   1.884
  511   HE22  GLN  64          2HE2      GLN  64   7.442   9.075   2.372
  512    H    GLY  65           HN       GLY  65   4.060   4.621   5.249
  513    HA2  GLY  65           2HA      GLY  65   4.036   6.044   7.665
  514    HA3  GLY  65           1HA      GLY  65   3.590   4.352   7.484
  515    H    GLN  66           HN       GLN  66   6.108   3.426   6.564
  516    HA   GLN  66           HA       GLN  66   7.585   3.094   8.957
  517    HB2  GLN  66           2HB      GLN  66   7.486   1.606   6.855
  518    HB3  GLN  66           1HB      GLN  66   8.645   2.717   6.153
  519    HG2  GLN  66           2HG      GLN  66   9.090   1.100   8.654
  520    HG3  GLN  66           1HG      GLN  66   9.664   0.668   7.048
  521   HE21  GLN  66          1HE2      GLN  66  11.202   2.102   6.033
  522   HE22  GLN  66          2HE2      GLN  66  12.310   2.988   7.032
  523    H    GLY  67           HN       GLY  67   8.142   5.005   6.022
  524    HA2  GLY  67           2HA      GLY  67   8.906   7.365   6.613
  525    HA3  GLY  67           1HA      GLY  67  10.212   6.541   7.455
  526    H    ASP  68           HN       ASP  68   9.295   4.868   4.689
  527    HA   ASP  68           HA       ASP  68  11.758   5.584   3.367
  528    HB2  ASP  68           2HB      ASP  68   9.606   3.557   2.767
  529    HB3  ASP  68           1HB      ASP  68  10.925   3.878   1.649
  530    H    ARG  69           HN       ARG  69  11.315   7.760   2.801
  531    HA   ARG  69           HA       ARG  69   9.149   8.487   1.144
  532    HB2  ARG  69           2HB      ARG  69  10.663  10.479   0.534
  533    HB3  ARG  69           1HB      ARG  69  10.130  10.311   2.197
  534    HG2  ARG  69           2HG      ARG  69  12.346  10.878   2.438
  535    HG3  ARG  69           1HG      ARG  69  12.398   9.121   2.561
  536    HD2  ARG  69           2HD      ARG  69  14.202   9.853   1.164
  537    HD3  ARG  69           1HD      ARG  69  13.014   9.023   0.162
  538    HE   ARG  69           HE       ARG  69  12.423  11.762   0.093
  539   HH11  ARG  69          1HH1      ARG  69  15.008   9.605  -0.890
  540   HH12  ARG  69          2HH1      ARG  69  15.472  10.569  -2.262
  541   HH21  ARG  69          1HH2      ARG  69  13.050  13.055  -1.687
  542   HH22  ARG  69          2HH2      ARG  69  14.381  12.541  -2.693
  543    H    ALA  70           HN       ALA  70  12.378   7.291   0.437
  544    HA   ALA  70           HA       ALA  70  12.204   7.625  -2.383
  545    HB1  ALA  70           1HB      ALA  70  14.141   6.159  -2.494
  546    HB2  ALA  70           2HB      ALA  70  13.913   5.705  -0.805
  547    HB3  ALA  70           3HB      ALA  70  14.348   7.363  -1.221
  548    H    GLY  71           HN       GLY  71  11.659   4.882  -0.206
  549    HA2  GLY  71           2HA      GLY  71  11.003   2.978  -2.162
  550    HA3  GLY  71           1HA      GLY  71  10.521   2.911  -0.474
  551    H    ALA  72           HN       ALA  72   8.902   5.166  -0.309
  552    HA   ALA  72           HA       ALA  72   6.443   4.237  -1.239
  553    HB1  ALA  72           1HB      ALA  72   6.661   5.820   0.608
  554    HB2  ALA  72           2HB      ALA  72   5.559   6.431  -0.627
  555    HB3  ALA  72           3HB      ALA  72   7.201   7.066  -0.517
  556    H    ARG  73           HN       ARG  73   8.554   6.765  -2.560
  557    HA   ARG  73           HA       ARG  73   6.922   7.464  -4.743
  558    HB2  ARG  73           2HB      ARG  73   8.747   8.890  -3.993
  559    HB3  ARG  73           1HB      ARG  73   9.922   7.650  -4.411
  560    HG2  ARG  73           2HG      ARG  73   9.310   7.878  -6.772
  561    HG3  ARG  73           1HG      ARG  73   8.146   9.132  -6.340
  562    HD2  ARG  73           2HD      ARG  73   9.952  10.516  -5.467
  563    HD3  ARG  73           1HD      ARG  73  11.120   9.256  -5.862
  564    HE   ARG  73           HE       ARG  73   9.712   9.909  -8.196
  565   HH11  ARG  73          1HH1      ARG  73  12.015  11.330  -5.974
  566   HH12  ARG  73          2HH1      ARG  73  12.716  12.390  -7.152
  567   HH21  ARG  73          1HH2      ARG  73  10.624  11.307  -9.772
  568   HH22  ARG  73          2HH2      ARG  73  11.942  12.356  -9.333
  569    H    GLN  74           HN       GLN  74   9.600   5.171  -4.453
  570    HA   GLN  74           HA       GLN  74   9.752   4.312  -7.099
  571    HB2  GLN  74           2HB      GLN  74  11.416   3.751  -5.390
  572    HB3  GLN  74           1HB      GLN  74  10.242   2.740  -4.560
  573    HG2  GLN  74           2HG      GLN  74  10.137   1.300  -6.574
  574    HG3  GLN  74           1HG      GLN  74  11.421   2.274  -7.289
  575   HE21  GLN  74          1HE2      GLN  74  13.500   2.160  -6.432
  576   HE22  GLN  74          2HE2      GLN  74  13.996   0.856  -5.402
  577    H    ALA  75           HN       ALA  75   7.790   3.079  -4.417
  578    HA   ALA  75           HA       ALA  75   6.651   0.901  -5.771
  579    HB1  ALA  75           1HB      ALA  75   5.006   0.864  -3.986
  580    HB2  ALA  75           2HB      ALA  75   5.467   2.497  -3.503
  581    HB3  ALA  75           3HB      ALA  75   6.614   1.170  -3.330
  582    H    TRP  76           HN       TRP  76   5.579   4.266  -5.479
  583    HA   TRP  76           HA       TRP  76   3.053   3.783  -6.699
  584    HB2  TRP  76           2HB      TRP  76   4.570   6.320  -6.097
  585    HB3  TRP  76           1HB      TRP  76   2.983   6.313  -6.858
  586    HD1  TRP  76           1HD      TRP  76   1.819   3.898  -4.975
  587    HE1  TRP  76           1HE      TRP  76   1.120   4.488  -2.575
  588    HE3  TRP  76           3HE      TRP  76   4.501   8.207  -4.390
  589    HZ2  TRP  76           2HZ      TRP  76   1.642   6.505  -0.680
  590    HZ3  TRP  76           3HZ      TRP  76   4.345   9.403  -2.248
  591    HH2  TRP  76           2HH      TRP  76   2.945   8.571  -0.432
  592    H    GLU  77           HN       GLU  77   6.140   5.095  -7.870
  593    HA   GLU  77           HA       GLU  77   5.198   5.678 -10.478
  594    HB2  GLU  77           2HB      GLU  77   7.980   5.197  -9.417
  595    HB3  GLU  77           1HB      GLU  77   7.653   5.657 -11.082
  596    HG2  GLU  77           2HG      GLU  77   6.514   7.697 -10.213
  597    HG3  GLU  77           1HG      GLU  77   7.070   7.251  -8.602
  598    H    SER  78           HN       SER  78   6.791   2.834  -9.087
  599    HA   SER  78           HA       SER  78   7.053   1.504 -11.607
  600    HB2  SER  78           2HB      SER  78   8.520   1.103  -9.603
  601    HB3  SER  78           1HB      SER  78   7.166   0.264  -8.849
  602    HG   SER  78           HG       SER  78   7.805  -1.429  -9.901
  603    H    GLY  79           HN       GLY  79   4.721   1.395  -8.957
  604    HA2  GLY  79           2HA      GLY  79   3.271  -0.853  -9.958
  605    HA3  GLY  79           1HA      GLY  79   2.726   0.269  -8.721
  606    H    LEU  80           HN       LEU  80   3.374   2.407 -10.900
  607    HA   LEU  80           HA       LEU  80   0.735   2.881 -11.709
  608    HB2  LEU  80           2HB      LEU  80   2.902   4.386 -11.655
  609    HB3  LEU  80           1HB      LEU  80   3.027   3.889 -13.326
  610    HG   LEU  80           HG       LEU  80   0.763   4.793 -13.751
  611   HD11  LEU  80          1HD1      LEU  80  -0.123   4.595 -11.482
  612   HD12  LEU  80          2HD1      LEU  80  -0.279   6.241 -12.092
  613   HD13  LEU  80          3HD1      LEU  80   0.992   5.846 -10.935
  614   HD21  LEU  80          3HD2      LEU  80   2.724   6.745 -12.563
  615   HD22  LEU  80          1HD2      LEU  80   1.399   7.147 -13.655
  616   HD23  LEU  80          2HD2      LEU  80   2.731   6.139 -14.219
  617    H    ALA  81           HN       ALA  81   3.501   1.623 -13.513
  618    HA   ALA  81           HA       ALA  81   2.140   1.107 -15.933
  619    HB1  ALA  81           1HB      ALA  81   4.587   1.209 -15.764
  620    HB2  ALA  81           2HB      ALA  81   4.048  -0.296 -16.509
  621    HB3  ALA  81           3HB      ALA  81   4.582  -0.284 -14.828
  622    H    ALA  82           HN       ALA  82   2.488  -0.788 -13.006
  623    HA   ALA  82           HA       ALA  82   1.447  -3.202 -14.037
  624    HB1  ALA  82           1HB      ALA  82   2.632  -3.094 -11.898
  625    HB2  ALA  82           2HB      ALA  82   1.028  -3.802 -11.705
  626    HB3  ALA  82           3HB      ALA  82   1.320  -2.132 -11.215
  627    H    ALA  83           HN       ALA  83  -0.055  -0.438 -12.409
  628    HA   ALA  83           HA       ALA  83  -2.712  -1.393 -12.520
  629    HB1  ALA  83           1HB      ALA  83  -2.007   0.411 -11.026
  630    HB2  ALA  83           2HB      ALA  83  -3.369   0.901 -12.033
  631    HB3  ALA  83           3HB      ALA  83  -1.741   1.463 -12.416
  632    H    GLN  84           HN       GLN  84  -0.820   0.655 -14.712
  633    HA   GLN  84           HA       GLN  84  -2.785   1.148 -16.634
  634    HB2  GLN  84           2HB      GLN  84   0.200   0.888 -16.754
  635    HB3  GLN  84           1HB      GLN  84  -0.727   1.159 -18.214
  636    HG2  GLN  84           2HG      GLN  84  -0.935   2.948 -15.818
  637    HG3  GLN  84           1HG      GLN  84   0.264   3.190 -17.088
  638   HE21  GLN  84          1HE2      GLN  84  -3.110   3.284 -16.280
  639   HE22  GLN  84          2HE2      GLN  84  -3.630   4.148 -17.686
  640    H    SER  85           HN       SER  85  -0.467  -1.540 -16.380
  641    HA   SER  85           HA       SER  85  -1.231  -2.931 -18.672
  642    HB2  SER  85           2HB      SER  85   0.786  -3.498 -17.430
  643    HB3  SER  85           1HB      SER  85  -0.179  -4.013 -16.047
  644    HG   SER  85           HG       SER  85  -0.082  -5.202 -18.632
  645    H    ARG  86           HN       ARG  86  -2.589  -3.137 -15.393
  646    HA   ARG  86           HA       ARG  86  -4.422  -5.219 -16.093
  647    HB2  ARG  86           2HB      ARG  86  -3.858  -3.539 -13.717
  648    HB3  ARG  86           1HB      ARG  86  -5.471  -4.221 -13.838
  649    HG2  ARG  86           2HG      ARG  86  -4.153  -5.671 -12.525
  650    HG3  ARG  86           1HG      ARG  86  -4.437  -6.467 -14.065
  651    HD2  ARG  86           2HD      ARG  86  -1.933  -4.916 -13.477
  652    HD3  ARG  86           1HD      ARG  86  -2.103  -6.618 -13.059
  653    HE   ARG  86           HE       ARG  86  -1.859  -5.480 -15.725
  654   HH11  ARG  86          1HH1      ARG  86  -2.563  -8.313 -13.799
  655   HH12  ARG  86          2HH1      ARG  86  -2.049  -9.430 -15.027
  656   HH21  ARG  86          1HH2      ARG  86  -1.157  -6.940 -17.331
  657   HH22  ARG  86          2HH2      ARG  86  -1.231  -8.652 -17.024
  658    H    GLY  87           HN       GLY  87  -4.400  -1.869 -16.600
  659    HA2  GLY  87           2HA      GLY  87  -5.996  -0.520 -17.601
  660    HA3  GLY  87           1HA      GLY  87  -7.103  -1.885 -17.591
  661    H    ASP  88           HN       ASP  88  -5.533  -0.975 -14.682
  662    HA   ASP  88           HA       ASP  88  -8.075  -0.413 -13.441
  663    HB2  ASP  88           2HB      ASP  88  -5.307  -0.921 -12.453
  664    HB3  ASP  88           1HB      ASP  88  -6.408  -0.026 -11.410
  665    H    GLN  89           HN       GLN  89  -8.556   1.480 -14.549
  666    HA   GLN  89           HA       GLN  89  -7.005   3.756 -14.749
  667    HB2  GLN  89           2HB      GLN  89 -10.002   3.501 -14.556
  668    HB3  GLN  89           1HB      GLN  89  -9.154   4.936 -15.094
  669    HG2  GLN  89           2HG      GLN  89  -9.092   2.244 -16.426
  670    HG3  GLN  89           1HG      GLN  89  -9.993   3.652 -16.975
  671   HE21  GLN  89          1HE2      GLN  89  -6.875   2.165 -16.723
  672   HE22  GLN  89          2HE2      GLN  89  -6.033   3.271 -17.753
  673    H    GLN  90           HN       GLN  90  -9.279   2.861 -12.180
  674    HA   GLN  90           HA       GLN  90  -9.094   5.278 -10.750
  675    HB2  GLN  90           2HB      GLN  90 -10.871   3.665 -10.290
  676    HB3  GLN  90           1HB      GLN  90  -9.689   2.497  -9.718
  677    HG2  GLN  90           2HG      GLN  90  -9.080   4.023  -7.897
  678    HG3  GLN  90           1HG      GLN  90 -10.309   5.155  -8.452
  679   HE21  GLN  90          1HE2      GLN  90 -10.014   3.755  -5.904
  680   HE22  GLN  90          2HE2      GLN  90 -11.491   2.886  -5.664
  681    H    VAL  91           HN       VAL  91  -7.241   2.283 -10.585
  682    HA   VAL  91           HA       VAL  91  -5.806   2.972  -8.238
  683    HB   VAL  91           HB       VAL  91  -5.036   0.992 -10.396
  684   HG11  VAL  91          1HG1      VAL  91  -4.113   1.222  -7.528
  685   HG12  VAL  91          2HG1      VAL  91  -3.150   1.619  -8.950
  686   HG13  VAL  91          3HG1      VAL  91  -3.656  -0.047  -8.664
  687   HG21  VAL  91          3HG2      VAL  91  -7.233   0.517  -9.418
  688   HG22  VAL  91          1HG2      VAL  91  -6.529   0.588  -7.802
  689   HG23  VAL  91          2HG2      VAL  91  -6.040  -0.684  -8.921
  690    H    VAL  92           HN       VAL  92  -5.110   3.318 -11.686
  691    HA   VAL  92           HA       VAL  92  -2.480   4.260 -11.499
  692    HB   VAL  92           HB       VAL  92  -4.610   5.045 -13.507
  693   HG11  VAL  92          1HG1      VAL  92  -1.612   5.350 -13.664
  694   HG12  VAL  92          2HG1      VAL  92  -2.787   6.655 -13.493
  695   HG13  VAL  92          3HG1      VAL  92  -2.754   5.686 -14.967
  696   HG21  VAL  92          3HG2      VAL  92  -2.480   2.915 -13.608
  697   HG22  VAL  92          1HG2      VAL  92  -3.517   3.380 -14.957
  698   HG23  VAL  92          2HG2      VAL  92  -4.224   2.666 -13.507
  699    H    LYS  93           HN       LYS  93  -5.541   6.057 -11.570
  700    HA   LYS  93           HA       LYS  93  -4.330   8.598 -11.327
  701    HB2  LYS  93           2HB      LYS  93  -7.170   7.712 -10.833
  702    HB3  LYS  93           1HB      LYS  93  -6.645   9.393 -10.861
  703    HG2  LYS  93           2HG      LYS  93  -5.868   9.072 -13.185
  704    HG3  LYS  93           1HG      LYS  93  -6.495   7.426 -13.137
  705    HD2  LYS  93           2HD      LYS  93  -8.132   9.928 -12.763
  706    HD3  LYS  93           1HD      LYS  93  -8.035   8.983 -14.247
  707    HE2  LYS  93           2HE      LYS  93  -8.908   7.025 -13.009
  708    HE3  LYS  93           1HE      LYS  93  -9.093   8.052 -11.587
  709    HZ1  LYS  93           3HZ      LYS  93 -10.616   9.450 -12.825
  710    HZ2  LYS  93           1HZ      LYS  93 -11.165   7.846 -12.809
  711    HZ3  LYS  93           2HZ      LYS  93 -10.431   8.471 -14.200
  712    H    GLU  94           HN       GLU  94  -5.676   6.346  -8.930
  713    HA   GLU  94           HA       GLU  94  -5.530   7.986  -6.680
  714    HB2  GLU  94           2HB      GLU  94  -5.178   5.024  -7.064
  715    HB3  GLU  94           1HB      GLU  94  -5.133   5.776  -5.481
  716    HG2  GLU  94           2HG      GLU  94  -7.447   6.250  -7.289
  717    HG3  GLU  94           1HG      GLU  94  -7.329   4.763  -6.364
  718    H    LEU  95           HN       LEU  95  -3.110   5.825  -8.104
  719    HA   LEU  95           HA       LEU  95  -1.073   6.266  -6.217
  720    HB2  LEU  95           2HB      LEU  95  -0.961   5.411  -9.109
  721    HB3  LEU  95           1HB      LEU  95   0.438   5.425  -8.054
  722    HG   LEU  95           HG       LEU  95  -2.043   3.808  -7.461
  723   HD11  LEU  95          1HD1      LEU  95  -1.088   3.068  -9.581
  724   HD12  LEU  95          2HD1      LEU  95  -0.792   1.880  -8.311
  725   HD13  LEU  95          3HD1      LEU  95   0.505   2.953  -8.834
  726   HD21  LEU  95          3HD2      LEU  95   0.784   3.619  -6.440
  727   HD22  LEU  95          1HD2      LEU  95  -0.579   2.613  -5.952
  728   HD23  LEU  95          2HD2      LEU  95  -0.569   4.335  -5.565
  729    H    GLN  96           HN       GLN  96  -1.746   7.835  -9.325
  730    HA   GLN  96           HA       GLN  96   0.502   9.479  -9.437
  731    HB2  GLN  96           2HB      GLN  96  -2.296   9.910 -10.486
  732    HB3  GLN  96           1HB      GLN  96  -0.960  10.998 -10.839
  733    HG2  GLN  96           2HG      GLN  96   0.253   9.198 -11.917
  734    HG3  GLN  96           1HG      GLN  96  -1.038   8.066 -11.520
  735   HE21  GLN  96          1HE2      GLN  96   0.070   8.872 -14.108
  736   HE22  GLN  96          2HE2      GLN  96  -1.269   9.456 -15.032
  737    H    VAL  97           HN       VAL  97  -2.605   9.992  -7.826
  738    HA   VAL  97           HA       VAL  97  -2.198  12.662  -7.081
  739    HB   VAL  97           HB       VAL  97  -3.820  10.518  -5.707
  740   HG11  VAL  97          1HG1      VAL  97  -3.872  13.508  -5.295
  741   HG12  VAL  97          2HG1      VAL  97  -3.308  12.305  -4.135
  742   HG13  VAL  97          3HG1      VAL  97  -5.009  12.356  -4.598
  743   HG21  VAL  97          3HG2      VAL  97  -4.551  10.975  -7.969
  744   HG22  VAL  97          1HG2      VAL  97  -4.595  12.705  -7.631
  745   HG23  VAL  97          2HG2      VAL  97  -5.718  11.618  -6.814
  746    H    PHE  98           HN       PHE  98  -1.528   9.659  -5.258
  747    HA   PHE  98           HA       PHE  98  -0.651  11.018  -2.933
  748    HB2  PHE  98           2HB      PHE  98  -0.165   8.188  -3.866
  749    HB3  PHE  98           1HB      PHE  98   0.329   8.794  -2.290
  750    HD1  PHE  98           2HD      PHE  98  -1.655  10.036  -0.988
  751    HD2  PHE  98           1HD      PHE  98  -2.145   7.041  -3.967
  752    HE1  PHE  98           2HE      PHE  98  -3.883   9.507  -0.086
  753    HE2  PHE  98           1HE      PHE  98  -4.369   6.507  -3.068
  754    HZ   PHE  98           HZ       PHE  98  -5.243   7.739  -1.128
  755    H    LEU  99           HN       LEU  99   1.005   9.832  -5.772
  756    HA   LEU  99           HA       LEU  99   3.642   9.992  -4.880
  757    HB2  LEU  99           2HB      LEU  99   2.883   8.917  -6.975
  758    HB3  LEU  99           1HB      LEU  99   2.586  10.502  -7.659
  759    HG   LEU  99           HG       LEU  99   4.991  11.016  -7.501
  760   HD11  LEU  99          1HD1      LEU  99   6.577   9.227  -6.981
  761   HD12  LEU  99          2HD1      LEU  99   5.237   8.162  -6.559
  762   HD13  LEU  99          3HD1      LEU  99   5.552   9.604  -5.596
  763   HD21  LEU  99          3HD2      LEU  99   5.722   9.515  -9.277
  764   HD22  LEU  99          1HD2      LEU  99   4.068  10.064  -9.551
  765   HD23  LEU  99          2HD2      LEU  99   4.370   8.438  -8.932
  766    H    ARG 100           HN       ARG 100   1.536  12.471  -6.245
  767    HA   ARG 100           HA       ARG 100   3.615  14.433  -6.453
  768    HB2  ARG 100           2HB      ARG 100   0.660  15.004  -6.448
  769    HB3  ARG 100           1HB      ARG 100   1.943  15.902  -7.236
  770    HG2  ARG 100           2HG      ARG 100   2.240  13.550  -8.457
  771    HG3  ARG 100           1HG      ARG 100   0.517  13.484  -8.105
  772    HD2  ARG 100           2HD      ARG 100   0.740  14.448 -10.263
  773    HD3  ARG 100           1HD      ARG 100   0.310  15.751  -9.155
  774    HE   ARG 100           HE       ARG 100   2.990  15.906  -9.174
  775   HH11  ARG 100          1HH1      ARG 100   0.651  15.694 -11.789
  776   HH12  ARG 100          2HH1      ARG 100   1.652  16.579 -12.915
  777   HH21  ARG 100          1HH2      ARG 100   4.293  17.039 -10.634
  778   HH22  ARG 100          2HH2      ARG 100   3.743  17.338 -12.257
  779    H    ARG 101           HN       ARG 101   0.926  13.800  -4.288
  780    HA   ARG 101           HA       ARG 101   1.159  16.004  -2.597
  781    HB2  ARG 101           2HB      ARG 101   0.291  13.188  -1.925
  782    HB3  ARG 101           1HB      ARG 101   0.063  14.577  -0.871
  783    HG2  ARG 101           2HG      ARG 101  -1.407  15.615  -2.449
  784    HG3  ARG 101           1HG      ARG 101  -1.073  14.367  -3.649
  785    HD2  ARG 101           2HD      ARG 101  -3.162  13.814  -2.719
  786    HD3  ARG 101           1HD      ARG 101  -2.004  12.710  -1.980
  787    HE   ARG 101           HE       ARG 101  -2.895  15.145  -0.578
  788   HH11  ARG 101          1HH1      ARG 101  -2.444  11.685  -0.699
  789   HH12  ARG 101          2HH1      ARG 101  -3.002  11.415   0.921
  790   HH21  ARG 101          1HH2      ARG 101  -3.682  14.802   1.546
  791   HH22  ARG 101          2HH2      ARG 101  -3.733  13.183   2.187
  792    H    LEU 102           HN       LEU 102   2.913  12.936  -2.574
  793    HA   LEU 102           HA       LEU 102   4.248  13.342  -0.108
  794    HB2  LEU 102           2HB      LEU 102   4.114  11.139  -1.099
  795    HB3  LEU 102           1HB      LEU 102   5.009  11.678  -2.510
  796    HG   LEU 102           HG       LEU 102   6.986  12.080  -1.044
  797   HD11  LEU 102          1HD1      LEU 102   5.819  12.400   1.063
  798   HD12  LEU 102          2HD1      LEU 102   6.998  11.094   1.195
  799   HD13  LEU 102          3HD1      LEU 102   5.280  10.720   1.037
  800   HD21  LEU 102          3HD2      LEU 102   6.778  10.013  -2.317
  801   HD22  LEU 102          1HD2      LEU 102   5.870   9.280  -0.996
  802   HD23  LEU 102          2HD2      LEU 102   7.562   9.720  -0.765
  803    H    ALA 103           HN       ALA 103   5.074  14.124  -3.443
  804    HA   ALA 103           HA       ALA 103   7.758  14.810  -3.066
  805    HB1  ALA 103           1HB      ALA 103   6.765  14.417  -5.267
  806    HB2  ALA 103           2HB      ALA 103   7.596  15.970  -5.202
  807    HB3  ALA 103           3HB      ALA 103   5.835  15.907  -5.114
  808    H    ARG 104           HN       ARG 104   4.839  16.651  -2.539
  809    HA   ARG 104           HA       ARG 104   5.931  19.228  -2.477
  810    HB2  ARG 104           2HB      ARG 104   3.627  18.212  -0.809
  811    HB3  ARG 104           1HB      ARG 104   3.936  19.878  -1.280
  812    HG2  ARG 104           2HG      ARG 104   3.573  19.298  -3.620
  813    HG3  ARG 104           1HG      ARG 104   3.287  17.618  -3.161
  814    HD2  ARG 104           2HD      ARG 104   1.403  18.437  -1.725
  815    HD3  ARG 104           1HD      ARG 104   1.628  20.027  -2.452
  816    HE   ARG 104           HE       ARG 104   1.012  17.650  -4.082
  817   HH11  ARG 104          1HH1      ARG 104   0.388  20.959  -3.147
  818   HH12  ARG 104          2HH1      ARG 104  -0.874  21.191  -4.320
  819   HH21  ARG 104          1HH2      ARG 104  -0.644  17.936  -5.631
  820   HH22  ARG 104          2HH2      ARG 104  -1.458  19.469  -5.746
  821    H    GLU 105           HN       GLU 105   5.431  16.893   0.165
  822    HA   GLU 105           HA       GLU 105   6.620  18.538   2.150
  823    HB2  GLU 105           2HB      GLU 105   5.725  15.693   1.972
  824    HB3  GLU 105           1HB      GLU 105   6.683  16.216   3.342
  825    HG2  GLU 105           2HG      GLU 105   4.242  17.734   2.554
  826    HG3  GLU 105           1HG      GLU 105   4.106  16.249   3.492
  827    H    ASP 106           HN       ASP 106   7.798  16.020  -0.000
  828    HA   ASP 106           HA       ASP 106  10.272  15.582   1.367
  829    HB2  ASP 106           2HB      ASP 106   9.196  13.940  -0.171
  830    HB3  ASP 106           1HB      ASP 106   9.559  15.002  -1.520
  831    H    ALA 107           HN       ALA 107   9.391  17.390  -1.537
  832    HA   ALA 107           HA       ALA 107  11.948  18.311  -2.201
  833    HB1  ALA 107           1HB      ALA 107   9.308  19.692  -2.675
  834    HB2  ALA 107           2HB      ALA 107  10.050  18.483  -3.723
  835    HB3  ALA 107           3HB      ALA 107  10.825  20.050  -3.500
  836    H    LEU 108           HN       LEU 108   9.489  19.744  -0.088
  837    HA   LEU 108           HA       LEU 108  11.168  21.975   0.599
  838    HB2  LEU 108           2HB      LEU 108   8.587  20.979   1.803
  839    HB3  LEU 108           1HB      LEU 108   9.375  22.478   2.222
  840    HG   LEU 108           HG       LEU 108   8.238  21.799  -0.469
  841   HD11  LEU 108          1HD1      LEU 108   7.293  23.724   1.645
  842   HD12  LEU 108          2HD1      LEU 108   6.518  22.202   1.206
  843   HD13  LEU 108          3HD1      LEU 108   6.586  23.524   0.042
  844   HD21  LEU 108          3HD2      LEU 108   8.722  24.125  -1.039
  845   HD22  LEU 108          1HD2      LEU 108  10.196  23.234  -0.661
  846   HD23  LEU 108          2HD2      LEU 108   9.508  24.343   0.524
  847    H    GLU 109           HN       GLU 109  10.816  18.766   1.614
  848    HA   GLU 109           HA       GLU 109  11.679  17.481   3.256
  849    HB2  GLU 109           2HB      GLU 109  13.439  19.858   3.868
  850    HB3  GLU 109           1HB      GLU 109  13.695  18.205   4.399
  851    HG2  GLU 109           2HG      GLU 109  14.149  17.479   2.181
  852    HG3  GLU 109           1HG      GLU 109  13.660  19.037   1.514
  853    H    HIS 110           HN       HIS 110   9.376  19.049   3.711
  854    HA   HIS 110           HA       HIS 110   7.955  19.818   5.299
  855    HB2  HIS 110           2HB      HIS 110   8.474  17.518   6.128
  856    HB3  HIS 110           1HB      HIS 110   9.728  18.208   7.142
  857    HD1  HIS 110           1HD      HIS 110   5.967  18.142   6.744
  858    HD2  HIS 110           2HD      HIS 110   8.846  19.179   9.573
  859    HE1  HIS 110           1HE      HIS 110   4.700  18.648   8.860
  860    HE2  HIS 110           2HE      HIS 110   6.446  19.428  10.510
  861    H    HIS 111           HN       HIS 111  10.395  21.376   4.688
  862    HA   HIS 111           HA       HIS 111  11.298  22.502   7.196
  863    HB2  HIS 111           2HB      HIS 111  12.742  22.188   5.131
  864    HB3  HIS 111           1HB      HIS 111  11.883  23.552   4.425
  865    HD1  HIS 111           1HD      HIS 111  13.847  22.838   7.611
  866    HD2  HIS 111           2HD      HIS 111  13.149  25.899   4.881
  867    HE1  HIS 111           1HE      HIS 111  15.315  24.749   8.343
  868    HE2  HIS 111           2HE      HIS 111  14.995  26.521   6.579
  869    H    HIS 112           HN       HIS 112   8.603  22.806   7.020
  870    HA   HIS 112           HA       HIS 112   8.059  25.575   6.294
  871    HB2  HIS 112           2HB      HIS 112   6.334  23.907   5.830
  872    HB3  HIS 112           1HB      HIS 112   6.306  23.425   7.519
  873    HD1  HIS 112           1HD      HIS 112   5.134  26.130   5.189
  874    HD2  HIS 112           2HD      HIS 112   4.817  25.071   9.205
  875    HE1  HIS 112           1HE      HIS 112   3.319  27.592   6.144
  876    HE2  HIS 112           2HE      HIS 112   3.276  27.057   8.610
  877    H    HIS 113           HN       HIS 113   9.328  23.891   8.893
  878    HA   HIS 113           HA       HIS 113   8.179  25.614  10.944
  879    HB2  HIS 113           2HB      HIS 113   8.326  23.196  11.375
  880    HB3  HIS 113           1HB      HIS 113  10.072  23.263  11.179
  881    HD1  HIS 113           1HD      HIS 113   7.330  24.050  13.583
  882    HD2  HIS 113           2HD      HIS 113  11.476  24.346  13.356
  883    HE1  HIS 113           1HE      HIS 113   8.109  24.539  15.927
  884    HE2  HIS 113           2HE      HIS 113  10.629  24.546  15.794
  885    H    HIS 114           HN       HIS 114   9.118  27.439  11.471
  886    HA   HIS 114           HA       HIS 114  12.029  27.713  11.107
  887    HB2  HIS 114           2HB      HIS 114  11.181  29.392   9.766
  888    HB3  HIS 114           1HB      HIS 114   9.750  29.615  10.761
  889    HD1  HIS 114           1HD      HIS 114  13.499  30.356  10.970
  890    HD2  HIS 114           2HD      HIS 114   9.840  31.837  12.293
  891    HE1  HIS 114           1HE      HIS 114  14.022  32.503  12.166
  892    HE2  HIS 114           2HE      HIS 114  11.827  33.261  13.140
  893    H    HIS 115           HN       HIS 115   9.398  27.876  13.340
  894    HA   HIS 115           HA       HIS 115   9.211  28.306  15.552
  895    HB2  HIS 115           2HB      HIS 115  11.131  26.832  15.902
  896    HB3  HIS 115           1HB      HIS 115  12.239  28.153  15.551
  897    HD1  HIS 115           1HD      HIS 115   9.940  26.848  18.219
  898    HD2  HIS 115           2HD      HIS 115  12.680  29.933  17.664
  899    HE1  HIS 115           1HE      HIS 115  10.338  27.830  20.503
  900    HE2  HIS 115           2HE      HIS 115  12.117  29.584  20.166
  Start of MODEL    7
    1    H1   MET   1           H1       MET   1 -14.500 -10.375  20.865
    2    H2   MET   1           H2       MET   1 -14.451 -12.047  20.590
    3    H3   MET   1           H3       MET   1 -15.451 -11.062  19.641
    4    HA   MET   1           HA       MET   1 -12.494 -10.943  19.701
    5    HB2  MET   1           2HB      MET   1 -14.373 -12.000  17.578
    6    HB3  MET   1           1HB      MET   1 -12.636 -11.831  17.397
    7    HG2  MET   1           2HG      MET   1 -12.323 -13.459  19.230
    8    HG3  MET   1           1HG      MET   1 -14.072 -13.668  19.302
    9    HE1  MET   1           2HE      MET   1 -12.104 -16.115  18.943
   10    HE2  MET   1           3HE      MET   1 -12.914 -17.021  17.668
   11    HE3  MET   1           1HE      MET   1 -13.860 -16.280  18.960
   12    H    GLN   2           HN       GLN   2 -12.181  -8.753  19.670
   13    HA   GLN   2           HA       GLN   2 -13.814  -7.127  17.898
   14    HB2  GLN   2           2HB      GLN   2 -11.697  -6.425  19.916
   15    HB3  GLN   2           1HB      GLN   2 -12.556  -5.258  18.945
   16    HG2  GLN   2           2HG      GLN   2 -13.787  -7.120  20.952
   17    HG3  GLN   2           1HG      GLN   2 -13.483  -5.398  21.184
   18   HE21  GLN   2          1HE2      GLN   2 -15.992  -6.833  21.322
   19   HE22  GLN   2          2HE2      GLN   2 -17.034  -6.105  20.138
   20    H    ALA   3           HN       ALA   3 -12.973  -5.890  16.262
   21    HA   ALA   3           HA       ALA   3 -11.697  -5.339  14.490
   22    HB1  ALA   3           1HB      ALA   3  -9.302  -5.135  14.755
   23    HB2  ALA   3           2HB      ALA   3  -9.359  -6.109  16.222
   24    HB3  ALA   3           3HB      ALA   3 -10.129  -4.525  16.186
   25    H    ILE   4           HN       ILE   4 -10.296  -6.151  12.830
   26    HA   ILE   4           HA       ILE   4 -11.196  -8.743  12.116
   27    HB   ILE   4           HB       ILE   4  -9.336  -6.819  10.750
   28   HG12  ILE   4          2HG1      ILE   4 -11.626  -6.028  11.006
   29   HG13  ILE   4          1HG1      ILE   4 -11.287  -6.386   9.319
   30   HG21  ILE   4          1HG2      ILE   4  -8.834  -9.057   9.957
   31   HG22  ILE   4          2HG2      ILE   4  -9.691  -8.149   8.711
   32   HG23  ILE   4          3HG2      ILE   4 -10.547  -9.358   9.668
   33   HD11  ILE   4          3HD1      ILE   4 -12.821  -8.135  11.223
   34   HD12  ILE   4          1HD1      ILE   4 -12.467  -8.515   9.537
   35   HD13  ILE   4          2HD1      ILE   4 -13.501  -7.142   9.933
   36    H    THR   5           HN       THR   5  -8.109  -7.553  13.311
   37    HA   THR   5           HA       THR   5  -6.470  -9.556  12.220
   38    HB   THR   5           HB       THR   5  -5.979  -7.983  14.750
   39    HG1  THR   5           1HG      THR   5  -6.008  -7.282  12.068
   40   HG21  THR   5          3HG2      THR   5  -4.076  -9.300  12.809
   41   HG22  THR   5          1HG2      THR   5  -4.423  -9.840  14.450
   42   HG23  THR   5          2HG2      THR   5  -3.607  -8.298  14.182
   43    H    GLU   6           HN       GLU   6  -7.815  -9.294  15.531
   44    HA   GLU   6           HA       GLU   6  -6.624 -11.636  16.502
   45    HB2  GLU   6           2HB      GLU   6  -9.109 -10.177  17.392
   46    HB3  GLU   6           1HB      GLU   6  -8.416 -11.531  18.269
   47    HG2  GLU   6           2HG      GLU   6  -6.341 -10.271  18.567
   48    HG3  GLU   6           1HG      GLU   6  -7.054  -8.912  17.699
   49    H    ARG   7           HN       ARG   7  -9.762 -11.144  14.943
   50    HA   ARG   7           HA       ARG   7 -10.634 -13.796  15.519
   51    HB2  ARG   7           2HB      ARG   7 -12.529 -13.293  14.021
   52    HB3  ARG   7           1HB      ARG   7 -12.291 -12.083  15.272
   53    HG2  ARG   7           2HG      ARG   7 -11.065 -10.719  13.532
   54    HG3  ARG   7           1HG      ARG   7 -11.670 -11.873  12.340
   55    HD2  ARG   7           2HD      ARG   7 -13.315 -10.138  14.186
   56    HD3  ARG   7           1HD      ARG   7 -13.151  -9.966  12.438
   57    HE   ARG   7           HE       ARG   7 -14.319 -12.111  12.226
   58   HH11  ARG   7          1HH1      ARG   7 -14.621 -10.353  15.240
   59   HH12  ARG   7          2HH1      ARG   7 -16.100 -11.140  15.696
   60   HH21  ARG   7          1HH2      ARG   7 -16.261 -13.151  12.825
   61   HH22  ARG   7          2HH2      ARG   7 -17.027 -12.725  14.327
   62    H    LEU   8           HN       LEU   8  -8.997 -12.297  12.783
   63    HA   LEU   8           HA       LEU   8  -9.216 -14.554  11.069
   64    HB2  LEU   8           2HB      LEU   8  -7.215 -12.304  11.150
   65    HB3  LEU   8           1HB      LEU   8  -7.160 -13.581   9.952
   66    HG   LEU   8           HG       LEU   8  -9.325 -11.519  10.319
   67   HD11  LEU   8          1HD1      LEU   8  -7.341 -10.760   9.138
   68   HD12  LEU   8          2HD1      LEU   8  -8.712 -10.902   8.038
   69   HD13  LEU   8          3HD1      LEU   8  -7.454 -12.137   8.043
   70   HD21  LEU   8          3HD2      LEU   8 -10.350 -13.676   9.814
   71   HD22  LEU   8          1HD2      LEU   8  -9.266 -13.875   8.438
   72   HD23  LEU   8          2HD2      LEU   8 -10.462 -12.579   8.436
   73    H    GLU   9           HN       GLU   9  -6.892 -13.608  13.548
   74    HA   GLU   9           HA       GLU   9  -4.982 -15.589  13.066
   75    HB2  GLU   9           2HB      GLU   9  -5.731 -14.185  15.628
   76    HB3  GLU   9           1HB      GLU   9  -4.349 -15.265  15.479
   77    HG2  GLU   9           2HG      GLU   9  -3.524 -13.776  13.629
   78    HG3  GLU   9           1HG      GLU   9  -4.801 -12.646  14.079
   79    H    ALA  10           HN       ALA  10  -8.043 -15.757  14.749
   80    HA   ALA  10           HA       ALA  10  -7.719 -18.209  16.052
   81    HB1  ALA  10           1HB      ALA  10 -10.220 -17.086  14.792
   82    HB2  ALA  10           2HB      ALA  10  -9.636 -16.738  16.422
   83    HB3  ALA  10           3HB      ALA  10 -10.157 -18.370  15.999
   84    H    MET  11           HN       MET  11  -8.321 -17.458  12.683
   85    HA   MET  11           HA       MET  11  -8.887 -20.152  11.891
   86    HB2  MET  11           2HB      MET  11  -7.984 -17.777  10.247
   87    HB3  MET  11           1HB      MET  11  -8.617 -19.283   9.605
   88    HG2  MET  11           2HG      MET  11 -10.767 -18.844  10.673
   89    HG3  MET  11           1HG      MET  11 -10.124 -17.338  11.335
   90    HE1  MET  11           3HE      MET  11 -12.063 -15.899  10.314
   91    HE2  MET  11           1HE      MET  11 -12.803 -17.381   9.708
   92    HE3  MET  11           2HE      MET  11 -12.574 -16.005   8.630
   93    H    LEU  12           HN       LEU  12  -6.058 -18.128  12.218
   94    HA   LEU  12           HA       LEU  12  -4.222 -19.805  10.856
   95    HB2  LEU  12           2HB      LEU  12  -3.964 -17.578  12.830
   96    HB3  LEU  12           1HB      LEU  12  -2.569 -18.588  12.515
   97    HG   LEU  12           HG       LEU  12  -2.449 -16.597  11.163
   98   HD11  LEU  12          1HD1      LEU  12  -3.146 -19.026   9.525
   99   HD12  LEU  12          2HD1      LEU  12  -1.564 -18.627  10.191
  100   HD13  LEU  12          3HD1      LEU  12  -2.275 -17.612   8.936
  101   HD21  LEU  12          3HD2      LEU  12  -4.111 -16.078   9.459
  102   HD22  LEU  12          1HD2      LEU  12  -4.824 -16.049  11.073
  103   HD23  LEU  12          2HD2      LEU  12  -5.107 -17.426  10.008
  104    H    ALA  13           HN       ALA  13  -5.558 -19.805  14.073
  105    HA   ALA  13           HA       ALA  13  -3.765 -21.619  15.287
  106    HB1  ALA  13           1HB      ALA  13  -6.690 -21.159  15.883
  107    HB2  ALA  13           2HB      ALA  13  -5.340 -20.250  16.565
  108    HB3  ALA  13           3HB      ALA  13  -5.530 -21.961  16.943
  109    H    GLN  14           HN       GLN  14  -6.237 -22.030  12.937
  110    HA   GLN  14           HA       GLN  14  -6.278 -24.931  13.296
  111    HB2  GLN  14           2HB      GLN  14  -7.826 -23.094  11.465
  112    HB3  GLN  14           1HB      GLN  14  -7.944 -24.847  11.406
  113    HG2  GLN  14           2HG      GLN  14  -8.567 -23.183  13.833
  114    HG3  GLN  14           1HG      GLN  14  -9.766 -23.751  12.673
  115   HE21  GLN  14          1HE2      GLN  14  -7.618 -24.633  15.243
  116   HE22  GLN  14          2HE2      GLN  14  -8.235 -26.227  15.487
  117    H    GLY  15           HN       GLY  15  -4.419 -22.659  11.774
  118    HA2  GLY  15           2HA      GLY  15  -2.754 -22.815  10.203
  119    HA3  GLY  15           1HA      GLY  15  -2.993 -24.554  10.227
  120    H    THR  16           HN       THR  16  -5.286 -21.992   9.333
  121    HA   THR  16           HA       THR  16  -5.077 -22.741   6.536
  122    HB   THR  16           HB       THR  16  -7.723 -22.996   7.980
  123    HG1  THR  16           1HG      THR  16  -5.683 -24.758   7.626
  124   HG21  THR  16          3HG2      THR  16  -6.943 -23.618   5.124
  125   HG22  THR  16          1HG2      THR  16  -7.915 -22.241   5.649
  126   HG23  THR  16          2HG2      THR  16  -8.533 -23.881   5.847
  127    H    ASP  17           HN       ASP  17  -4.522 -20.675   5.994
  128    HA   ASP  17           HA       ASP  17  -6.689 -18.711   6.200
  129    HB2  ASP  17           2HB      ASP  17  -5.083 -16.950   6.360
  130    HB3  ASP  17           1HB      ASP  17  -4.665 -18.133   7.586
  131    H    ASN  18           HN       ASN  18  -6.243 -16.941   4.429
  132    HA   ASN  18           HA       ASN  18  -5.297 -18.202   1.957
  133    HB2  ASN  18           2HB      ASN  18  -8.037 -17.284   2.559
  134    HB3  ASN  18           1HB      ASN  18  -7.394 -16.749   1.014
  135   HD21  ASN  18          1HD2      ASN  18  -6.416 -19.784   2.443
  136   HD22  ASN  18          2HD2      ASN  18  -7.251 -20.796   1.311
  137    H    MET  19           HN       MET  19  -5.484 -16.400   0.131
  138    HA   MET  19           HA       MET  19  -3.488 -14.520   0.770
  139    HB2  MET  19           2HB      MET  19  -3.826 -15.448  -1.486
  140    HB3  MET  19           1HB      MET  19  -5.361 -14.602  -1.607
  141    HG2  MET  19           2HG      MET  19  -2.826 -13.089  -1.138
  142    HG3  MET  19           1HG      MET  19  -3.269 -13.622  -2.757
  143    HE1  MET  19           3HE      MET  19  -3.258 -11.141  -3.682
  144    HE2  MET  19           1HE      MET  19  -2.733 -10.595  -2.090
  145    HE3  MET  19           2HE      MET  19  -4.093  -9.806  -2.889
  146    H    LEU  20           HN       LEU  20  -6.974 -14.216   0.318
  147    HA   LEU  20           HA       LEU  20  -7.277 -11.469   0.548
  148    HB2  LEU  20           2HB      LEU  20  -8.964 -13.477   0.158
  149    HB3  LEU  20           1HB      LEU  20  -9.232 -13.295   1.876
  150    HG   LEU  20           HG       LEU  20  -9.606 -11.069  -0.134
  151   HD11  LEU  20          1HD1      LEU  20 -12.001 -11.471   0.158
  152   HD12  LEU  20          2HD1      LEU  20 -11.640 -12.887   1.144
  153   HD13  LEU  20          3HD1      LEU  20 -11.185 -12.860  -0.560
  154   HD21  LEU  20          3HD2      LEU  20 -10.488 -11.306   2.742
  155   HD22  LEU  20          1HD2      LEU  20 -10.797  -9.948   1.660
  156   HD23  LEU  20          2HD2      LEU  20  -9.148 -10.318   2.163
  157    H    LEU  21           HN       LEU  21  -7.062 -13.928   3.081
  158    HA   LEU  21           HA       LEU  21  -7.549 -12.218   5.270
  159    HB2  LEU  21           2HB      LEU  21  -6.150 -14.878   5.052
  160    HB3  LEU  21           1HB      LEU  21  -6.314 -14.036   6.579
  161    HG   LEU  21           HG       LEU  21  -8.809 -14.101   6.256
  162   HD11  LEU  21          1HD1      LEU  21  -8.870 -14.454   3.845
  163   HD12  LEU  21          2HD1      LEU  21  -9.713 -15.748   4.697
  164   HD13  LEU  21          3HD1      LEU  21  -8.098 -16.028   4.047
  165   HD21  LEU  21          3HD2      LEU  21  -7.637 -15.639   7.737
  166   HD22  LEU  21          1HD2      LEU  21  -7.359 -16.740   6.388
  167   HD23  LEU  21          2HD2      LEU  21  -9.002 -16.431   6.950
  168    H    ARG  22           HN       ARG  22  -4.557 -13.295   3.710
  169    HA   ARG  22           HA       ARG  22  -2.736 -12.101   5.462
  170    HB2  ARG  22           2HB      ARG  22  -2.508 -12.650   2.499
  171    HB3  ARG  22           1HB      ARG  22  -1.159 -12.152   3.513
  172    HG2  ARG  22           2HG      ARG  22  -2.794 -14.648   3.906
  173    HG3  ARG  22           1HG      ARG  22  -1.209 -14.572   3.132
  174    HD2  ARG  22           2HD      ARG  22  -0.170 -13.864   5.151
  175    HD3  ARG  22           1HD      ARG  22  -1.728 -13.609   5.936
  176    HE   ARG  22           HE       ARG  22  -1.867 -16.214   5.404
  177   HH11  ARG  22          1HH1      ARG  22   0.811 -14.347   6.690
  178   HH12  ARG  22          2HH1      ARG  22   1.401 -15.636   7.694
  179   HH21  ARG  22          1HH2      ARG  22  -1.114 -17.909   6.727
  180   HH22  ARG  22          2HH2      ARG  22   0.310 -17.665   7.700
  181    H    PHE  23           HN       PHE  23  -4.294 -10.828   2.548
  182    HA   PHE  23           HA       PHE  23  -2.998  -8.315   2.589
  183    HB2  PHE  23           2HB      PHE  23  -4.099  -9.137   0.571
  184    HB3  PHE  23           1HB      PHE  23  -5.660  -9.111   1.385
  185    HD1  PHE  23           1HD      PHE  23  -2.865  -6.913   0.319
  186    HD2  PHE  23           2HD      PHE  23  -6.994  -7.210   1.302
  187    HE1  PHE  23           1HE      PHE  23  -3.206  -4.591  -0.421
  188    HE2  PHE  23           2HE      PHE  23  -7.343  -4.892   0.559
  189    HZ   PHE  23           HZ       PHE  23  -5.450  -3.578  -0.302
  190    H    THR  24           HN       THR  24  -6.089  -9.437   3.907
  191    HA   THR  24           HA       THR  24  -6.989  -6.928   4.802
  192    HB   THR  24           HB       THR  24  -7.666  -9.621   6.005
  193    HG1  THR  24           1HG      THR  24  -8.074  -9.583   3.741
  194   HG21  THR  24          3HG2      THR  24  -9.791  -8.518   6.589
  195   HG22  THR  24          1HG2      THR  24  -9.167  -6.997   5.949
  196   HG23  THR  24          2HG2      THR  24  -8.410  -7.735   7.361
  197    H    LEU  25           HN       LEU  25  -4.986  -9.404   6.361
  198    HA   LEU  25           HA       LEU  25  -4.875  -8.249   8.915
  199    HB2  LEU  25           2HB      LEU  25  -2.890  -9.939   7.400
  200    HB3  LEU  25           1HB      LEU  25  -2.630  -9.433   9.059
  201    HG   LEU  25           HG       LEU  25  -4.947 -11.124   8.108
  202   HD11  LEU  25          1HD1      LEU  25  -2.447 -11.881   9.615
  203   HD12  LEU  25          2HD1      LEU  25  -2.852 -12.341   7.960
  204   HD13  LEU  25          3HD1      LEU  25  -3.818 -12.944   9.307
  205   HD21  LEU  25          3HD2      LEU  25  -4.060 -10.358  10.889
  206   HD22  LEU  25          1HD2      LEU  25  -5.378 -11.458  10.488
  207   HD23  LEU  25          2HD2      LEU  25  -5.491  -9.752  10.056
  208    H    GLY  26           HN       GLY  26  -2.700  -7.834   6.115
  209    HA2  GLY  26           2HA      GLY  26  -1.028  -5.907   7.340
  210    HA3  GLY  26           1HA      GLY  26  -1.206  -6.163   5.609
  211    H    LYS  27           HN       LYS  27  -3.937  -5.650   5.385
  212    HA   LYS  27           HA       LYS  27  -4.085  -2.895   5.050
  213    HB2  LYS  27           2HB      LYS  27  -5.576  -4.682   4.048
  214    HB3  LYS  27           1HB      LYS  27  -6.425  -4.732   5.583
  215    HG2  LYS  27           2HG      LYS  27  -7.751  -3.357   4.281
  216    HG3  LYS  27           1HG      LYS  27  -6.793  -2.211   5.220
  217    HD2  LYS  27           2HD      LYS  27  -5.292  -1.876   3.355
  218    HD3  LYS  27           1HD      LYS  27  -6.132  -3.115   2.422
  219    HE2  LYS  27           2HE      LYS  27  -7.277  -0.482   3.350
  220    HE3  LYS  27           1HE      LYS  27  -6.814  -0.899   1.703
  221    HZ1  LYS  27           3HZ      LYS  27  -8.533  -2.604   1.691
  222    HZ2  LYS  27           1HZ      LYS  27  -9.190  -1.077   2.012
  223    HZ3  LYS  27           2HZ      LYS  27  -8.984  -2.193   3.272
  224    H    THR  28           HN       THR  28  -5.116  -4.928   7.750
  225    HA   THR  28           HA       THR  28  -6.438  -2.896   9.200
  226    HB   THR  28           HB       THR  28  -5.211  -5.426  10.312
  227    HG1  THR  28           1HG      THR  28  -6.702  -5.819   8.569
  228   HG21  THR  28          3HG2      THR  28  -7.467  -3.683  11.313
  229   HG22  THR  28          1HG2      THR  28  -5.865  -3.831  12.035
  230   HG23  THR  28          2HG2      THR  28  -6.961  -5.212  12.029
  231    H    TYR  29           HN       TYR  29  -3.133  -4.157   9.322
  232    HA   TYR  29           HA       TYR  29  -2.327  -2.646  11.567
  233    HB2  TYR  29           2HB      TYR  29  -0.698  -3.814   9.307
  234    HB3  TYR  29           1HB      TYR  29   0.002  -3.062  10.737
  235    HD1  TYR  29           2HD      TYR  29  -1.318  -4.060  12.994
  236    HD2  TYR  29           1HD      TYR  29  -0.548  -6.098   9.344
  237    HE1  TYR  29           2HE      TYR  29  -1.438  -6.214  14.178
  238    HE2  TYR  29           1HE      TYR  29  -0.669  -8.251  10.513
  239    HH   TYR  29           HH       TYR  29  -1.954  -8.624  13.561
  240    H    ALA  30           HN       ALA  30  -2.276  -1.992   8.100
  241    HA   ALA  30           HA       ALA  30  -0.741   0.397   8.278
  242    HB1  ALA  30           1HB      ALA  30  -0.967  -0.875   6.191
  243    HB2  ALA  30           2HB      ALA  30  -1.462   0.805   5.982
  244    HB3  ALA  30           3HB      ALA  30  -2.681  -0.461   6.125
  245    H    GLU  31           HN       GLU  31  -4.198  -0.297   8.321
  246    HA   GLU  31           HA       GLU  31  -5.018   2.427   8.409
  247    HB2  GLU  31           2HB      GLU  31  -6.424  -0.151   9.077
  248    HB3  GLU  31           1HB      GLU  31  -7.204   1.420   9.235
  249    HG2  GLU  31           2HG      GLU  31  -6.019   0.315   6.700
  250    HG3  GLU  31           1HG      GLU  31  -7.733   0.320   7.110
  251    H    HIS  32           HN       HIS  32  -3.875   0.204  10.788
  252    HA   HIS  32           HA       HIS  32  -4.728   1.874  13.000
  253    HB2  HIS  32           2HB      HIS  32  -3.097  -0.655  12.819
  254    HB3  HIS  32           1HB      HIS  32  -3.241   0.248  14.317
  255    HD1  HIS  32           1HD      HIS  32  -4.310  -2.153  15.064
  256    HD2  HIS  32           2HD      HIS  32  -6.595   0.242  12.535
  257    HE1  HIS  32           1HE      HIS  32  -6.665  -3.018  15.244
  258    HE2  HIS  32           2HE      HIS  32  -8.055  -1.459  13.839
  259    H    GLU  33           HN       GLU  33  -2.567   2.269  10.692
  260    HA   GLU  33           HA       GLU  33  -0.757   3.564  10.348
  261    HB2  GLU  33           2HB      GLU  33  -2.021   5.101  11.918
  262    HB3  GLU  33           1HB      GLU  33  -1.004   4.488  13.214
  263    HG2  GLU  33           2HG      GLU  33   0.956   5.389  12.210
  264    HG3  GLU  33           1HG      GLU  33   0.085   5.792  10.732
  265    H    GLN  34           HN       GLN  34  -0.662   0.849  11.660
  266    HA   GLN  34           HA       GLN  34   2.092   0.974  12.680
  267    HB2  GLN  34           2HB      GLN  34   0.358  -0.207  14.067
  268    HB3  GLN  34           1HB      GLN  34   0.172  -1.365  12.758
  269    HG2  GLN  34           2HG      GLN  34   2.481  -2.057  13.011
  270    HG3  GLN  34           1HG      GLN  34   2.721  -0.848  14.271
  271   HE21  GLN  34          1HE2      GLN  34   1.783  -1.152  16.286
  272   HE22  GLN  34          2HE2      GLN  34   1.231  -2.709  16.810
  273    H    PHE  35           HN       PHE  35   2.734   1.447  10.503
  274    HA   PHE  35           HA       PHE  35   2.157  -0.199   8.297
  275    HB2  PHE  35           2HB      PHE  35   4.448   1.732   8.690
  276    HB3  PHE  35           1HB      PHE  35   3.918   1.073   7.147
  277    HD1  PHE  35           2HD      PHE  35   1.758   1.753   6.190
  278    HD2  PHE  35           1HD      PHE  35   3.288   3.533   9.742
  279    HE1  PHE  35           2HE      PHE  35   0.171   3.616   5.938
  280    HE2  PHE  35           1HE      PHE  35   1.705   5.399   9.493
  281    HZ   PHE  35           HZ       PHE  35   0.144   5.442   7.590
  282    H    ASP  36           HN       ASP  36   4.736  -0.238  10.665
  283    HA   ASP  36           HA       ASP  36   6.644  -1.757   9.307
  284    HB2  ASP  36           2HB      ASP  36   7.009  -0.615  11.475
  285    HB3  ASP  36           1HB      ASP  36   6.008  -1.823  12.261
  286    H    ALA  37           HN       ALA  37   3.956  -2.784  11.322
  287    HA   ALA  37           HA       ALA  37   4.536  -5.578  11.140
  288    HB1  ALA  37           1HB      ALA  37   2.395  -5.907  12.245
  289    HB2  ALA  37           2HB      ALA  37   1.982  -4.213  11.978
  290    HB3  ALA  37           3HB      ALA  37   3.322  -4.635  13.045
  291    H    ALA  38           HN       ALA  38   2.729  -3.313   9.257
  292    HA   ALA  38           HA       ALA  38   1.050  -5.130   7.888
  293    HB1  ALA  38           1HB      ALA  38   0.608  -2.731   7.961
  294    HB2  ALA  38           2HB      ALA  38   0.698  -3.316   6.300
  295    HB3  ALA  38           3HB      ALA  38   2.054  -2.432   6.998
  296    H    LEU  39           HN       LEU  39   4.344  -4.013   7.340
  297    HA   LEU  39           HA       LEU  39   4.650  -4.493   4.648
  298    HB2  LEU  39           2HB      LEU  39   6.457  -4.312   6.936
  299    HB3  LEU  39           1HB      LEU  39   7.096  -5.262   5.611
  300    HG   LEU  39           HG       LEU  39   6.672  -3.319   4.091
  301   HD11  LEU  39          1HD1      LEU  39   4.952  -2.212   5.409
  302   HD12  LEU  39          2HD1      LEU  39   6.307  -1.131   5.090
  303   HD13  LEU  39          3HD1      LEU  39   6.130  -1.876   6.679
  304   HD21  LEU  39          3HD2      LEU  39   8.594  -2.027   4.878
  305   HD22  LEU  39          1HD2      LEU  39   8.884  -3.762   5.008
  306   HD23  LEU  39          2HD2      LEU  39   8.488  -2.823   6.446
  307    HA   PRO  40           HA       PRO  40   6.173  -9.037   5.334
  308    HB2  PRO  40           2HB      PRO  40   5.245 -10.292   7.596
  309    HB3  PRO  40           1HB      PRO  40   6.845  -9.561   7.449
  310    HG2  PRO  40           2HG      PRO  40   4.366  -8.462   8.708
  311    HG3  PRO  40           1HG      PRO  40   6.047  -8.362   9.262
  312    HD2  PRO  40           2HD      PRO  40   4.818  -6.298   8.052
  313    HD3  PRO  40           1HD      PRO  40   6.550  -6.624   7.823
  314    H    HIS  41           HN       HIS  41   3.067  -8.122   6.700
  315    HA   HIS  41           HA       HIS  41   1.715 -10.493   5.867
  316    HB2  HIS  41           2HB      HIS  41   0.716  -7.816   6.841
  317    HB3  HIS  41           1HB      HIS  41  -0.356  -9.152   6.432
  318    HD1  HIS  41           1HD      HIS  41   1.990  -7.956   9.075
  319    HD2  HIS  41           2HD      HIS  41  -0.276 -11.342   8.213
  320    HE1  HIS  41           1HE      HIS  41   1.971  -9.323  11.189
  321    HE2  HIS  41           2HE      HIS  41   0.511 -11.315  10.678
  322    H    LEU  42           HN       LEU  42   1.999  -7.211   4.580
  323    HA   LEU  42           HA       LEU  42   0.189  -7.612   2.423
  324    HB2  LEU  42           2HB      LEU  42   2.402  -5.594   2.809
  325    HB3  LEU  42           1HB      LEU  42   1.250  -5.550   1.485
  326    HG   LEU  42           HG       LEU  42   0.522  -5.344   4.409
  327   HD11  LEU  42          1HD1      LEU  42   0.057  -2.991   3.906
  328   HD12  LEU  42          2HD1      LEU  42   0.706  -3.218   2.281
  329   HD13  LEU  42          3HD1      LEU  42   1.760  -3.392   3.686
  330   HD21  LEU  42          3HD2      LEU  42  -1.675  -4.649   3.529
  331   HD22  LEU  42          1HD2      LEU  42  -1.268  -6.313   3.102
  332   HD23  LEU  42          2HD2      LEU  42  -1.123  -5.032   1.898
  333    H    ARG  43           HN       ARG  43   3.685  -7.962   2.773
  334    HA   ARG  43           HA       ARG  43   4.290  -8.474   0.089
  335    HB2  ARG  43           2HB      ARG  43   5.609  -9.242   2.682
  336    HB3  ARG  43           1HB      ARG  43   6.261  -9.743   1.138
  337    HG2  ARG  43           2HG      ARG  43   6.505  -7.416   0.462
  338    HG3  ARG  43           1HG      ARG  43   5.819  -6.900   2.002
  339    HD2  ARG  43           2HD      ARG  43   7.679  -7.929   3.190
  340    HD3  ARG  43           1HD      ARG  43   8.350  -8.506   1.668
  341    HE   ARG  43           HE       ARG  43   8.226  -5.859   1.248
  342   HH11  ARG  43          1HH1      ARG  43   9.517  -7.746   3.912
  343   HH12  ARG  43          2HH1      ARG  43  10.727  -6.565   4.323
  344   HH21  ARG  43          1HH2      ARG  43   9.804  -4.323   1.775
  345   HH22  ARG  43          2HH2      ARG  43  10.888  -4.599   3.109
  346    H    ALA  44           HN       ALA  44   3.268 -10.580   2.724
  347    HA   ALA  44           HA       ALA  44   3.614 -13.040   1.407
  348    HB1  ALA  44           1HB      ALA  44   3.306 -12.829   3.835
  349    HB2  ALA  44           2HB      ALA  44   2.166 -13.969   3.120
  350    HB3  ALA  44           3HB      ALA  44   1.627 -12.352   3.571
  351    H    ALA  45           HN       ALA  45   0.931 -10.764   1.480
  352    HA   ALA  45           HA       ALA  45  -0.947 -12.456   0.176
  353    HB1  ALA  45           1HB      ALA  45  -0.891  -9.445   0.348
  354    HB2  ALA  45           2HB      ALA  45  -1.640 -10.533   1.516
  355    HB3  ALA  45           3HB      ALA  45  -2.274 -10.430  -0.127
  356    H    LEU  46           HN       LEU  46   1.158  -9.836  -0.982
  357    HA   LEU  46           HA       LEU  46   0.345  -9.955  -3.678
  358    HB2  LEU  46           2HB      LEU  46   2.855  -8.932  -2.378
  359    HB3  LEU  46           1HB      LEU  46   2.585  -8.833  -4.108
  360    HG   LEU  46           HG       LEU  46   0.847  -7.557  -1.996
  361   HD11  LEU  46          1HD1      LEU  46   2.843  -6.357  -3.909
  362   HD12  LEU  46          2HD1      LEU  46   3.010  -6.469  -2.158
  363   HD13  LEU  46          3HD1      LEU  46   1.753  -5.451  -2.862
  364   HD21  LEU  46          3HD2      LEU  46   0.757  -7.375  -5.006
  365   HD22  LEU  46          1HD2      LEU  46  -0.236  -6.441  -3.887
  366   HD23  LEU  46          2HD2      LEU  46  -0.421  -8.192  -3.978
  367    H    ASP  47           HN       ASP  47   2.518 -11.895  -1.834
  368    HA   ASP  47           HA       ASP  47   4.169 -12.903  -3.855
  369    HB2  ASP  47           2HB      ASP  47   4.392 -13.202  -1.331
  370    HB3  ASP  47           1HB      ASP  47   3.211 -14.496  -1.478
  371    H    PHE  48           HN       PHE  48   0.954 -13.834  -2.779
  372    HA   PHE  48           HA       PHE  48   0.788 -16.146  -4.472
  373    HB2  PHE  48           2HB      PHE  48  -1.333 -14.570  -3.008
  374    HB3  PHE  48           1HB      PHE  48  -1.667 -16.030  -3.928
  375    HD1  PHE  48           1HD      PHE  48  -0.489 -18.176  -3.211
  376    HD2  PHE  48           2HD      PHE  48  -0.683 -14.688  -0.776
  377    HE1  PHE  48           1HE      PHE  48  -0.030 -19.544  -1.217
  378    HE2  PHE  48           2HE      PHE  48  -0.215 -16.051   1.219
  379    HZ   PHE  48           HZ       PHE  48   0.111 -18.481   1.000
  380    H    ASP  49           HN       ASP  49  -0.341 -12.791  -4.683
  381    HA   ASP  49           HA       ASP  49  -0.903 -13.159  -7.518
  382    HB2  ASP  49           2HB      ASP  49  -3.011 -13.737  -6.344
  383    HB3  ASP  49           1HB      ASP  49  -3.019 -12.132  -5.620
  384    HA   PRO  50           HA       PRO  50   1.173  -9.192  -6.636
  385    HB2  PRO  50           2HB      PRO  50   2.203  -9.514  -9.359
  386    HB3  PRO  50           1HB      PRO  50   3.085  -9.381  -7.839
  387    HG2  PRO  50           2HG      PRO  50   2.960 -11.686  -9.225
  388    HG3  PRO  50           1HG      PRO  50   3.035 -11.653  -7.453
  389    HD2  PRO  50           2HD      PRO  50   0.669 -12.061  -9.247
  390    HD3  PRO  50           1HD      PRO  50   1.100 -12.901  -7.741
  391    H    THR  51           HN       THR  51  -1.212 -10.043  -8.903
  392    HA   THR  51           HA       THR  51  -1.199  -7.446 -10.224
  393    HB   THR  51           HB       THR  51  -1.597  -9.435 -11.606
  394    HG1  THR  51           1HG      THR  51  -3.681  -7.522 -11.342
  395   HG21  THR  51          3HG2      THR  51  -2.770 -10.813  -9.946
  396   HG22  THR  51          1HG2      THR  51  -3.687 -10.679 -11.448
  397   HG23  THR  51          2HG2      THR  51  -4.161  -9.731 -10.038
  398    H    TYR  52           HN       TYR  52  -1.982  -8.008  -7.321
  399    HA   TYR  52           HA       TYR  52  -4.747  -7.251  -7.174
  400    HB2  TYR  52           2HB      TYR  52  -3.172  -8.496  -5.427
  401    HB3  TYR  52           1HB      TYR  52  -2.891  -6.851  -4.868
  402    HD1  TYR  52           2HD      TYR  52  -5.549  -9.352  -5.518
  403    HD2  TYR  52           1HD      TYR  52  -4.474  -5.772  -3.485
  404    HE1  TYR  52           2HE      TYR  52  -7.638  -9.468  -4.230
  405    HE2  TYR  52           1HE      TYR  52  -6.563  -5.879  -2.187
  406    HH   TYR  52           HH       TYR  52  -8.775  -6.863  -2.308
  407    H    SER  53           HN       SER  53  -4.903  -5.387  -8.384
  408    HA   SER  53           HA       SER  53  -3.267  -3.210  -8.507
  409    HB2  SER  53           2HB      SER  53  -6.286  -3.141  -8.658
  410    HB3  SER  53           1HB      SER  53  -5.169  -1.996  -9.397
  411    HG   SER  53           HG       SER  53  -5.339  -3.293 -11.043
  412    H    VAL  54           HN       VAL  54  -5.835  -3.776  -6.145
  413    HA   VAL  54           HA       VAL  54  -5.882  -1.246  -4.959
  414    HB   VAL  54           HB       VAL  54  -6.359  -3.895  -3.582
  415   HG11  VAL  54          1HG1      VAL  54  -6.160  -2.009  -2.035
  416   HG12  VAL  54          2HG1      VAL  54  -7.814  -2.618  -2.094
  417   HG13  VAL  54          3HG1      VAL  54  -7.389  -1.132  -2.945
  418   HG21  VAL  54          3HG2      VAL  54  -8.708  -3.602  -4.192
  419   HG22  VAL  54          1HG2      VAL  54  -7.689  -3.713  -5.626
  420   HG23  VAL  54          2HG2      VAL  54  -8.298  -2.145  -5.093
  421    H    ALA  55           HN       ALA  55  -3.760  -3.993  -4.449
  422    HA   ALA  55           HA       ALA  55  -2.670  -3.058  -1.988
  423    HB1  ALA  55           1HB      ALA  55  -1.603  -5.141  -3.882
  424    HB2  ALA  55           2HB      ALA  55  -2.732  -5.431  -2.559
  425    HB3  ALA  55           3HB      ALA  55  -1.089  -4.889  -2.215
  426    H    TRP  56           HN       TRP  56  -1.826  -2.641  -5.366
  427    HA   TRP  56           HA       TRP  56   0.868  -1.950  -5.125
  428    HB2  TRP  56           2HB      TRP  56  -1.125  -0.741  -7.055
  429    HB3  TRP  56           1HB      TRP  56   0.622  -0.765  -7.242
  430    HD1  TRP  56           1HD      TRP  56   0.633  -4.017  -6.270
  431    HE1  TRP  56           1HE      TRP  56   0.090  -5.727  -8.115
  432    HE3  TRP  56           3HE      TRP  56  -1.678  -0.898  -9.595
  433    HZ2  TRP  56           2HZ      TRP  56  -1.157  -5.745 -10.644
  434    HZ3  TRP  56           3HZ      TRP  56  -2.517  -1.845 -11.704
  435    HH2  TRP  56           2HH      TRP  56  -2.261  -4.217 -12.216
  436    H    LYS  57           HN       LYS  57  -2.006   0.100  -5.010
  437    HA   LYS  57           HA       LYS  57  -0.654   2.533  -4.572
  438    HB2  LYS  57           2HB      LYS  57  -2.741   2.937  -5.353
  439    HB3  LYS  57           1HB      LYS  57  -3.438   1.553  -4.544
  440    HG2  LYS  57           2HG      LYS  57  -3.400   2.829  -2.422
  441    HG3  LYS  57           1HG      LYS  57  -2.802   4.228  -3.318
  442    HD2  LYS  57           2HD      LYS  57  -5.249   4.308  -2.960
  443    HD3  LYS  57           1HD      LYS  57  -4.814   4.267  -4.669
  444    HE2  LYS  57           2HE      LYS  57  -5.271   1.863  -4.727
  445    HE3  LYS  57           1HE      LYS  57  -5.702   1.898  -3.019
  446    HZ1  LYS  57           3HZ      LYS  57  -7.615   1.962  -4.600
  447    HZ2  LYS  57           1HZ      LYS  57  -7.107   3.504  -5.091
  448    HZ3  LYS  57           2HZ      LYS  57  -7.587   3.235  -3.486
  449    H    TRP  58           HN       TRP  58  -1.962   0.109  -2.358
  450    HA   TRP  58           HA       TRP  58  -1.628   1.760  -0.046
  451    HB2  TRP  58           2HB      TRP  58  -2.377  -1.109  -0.470
  452    HB3  TRP  58           1HB      TRP  58  -1.996  -0.520   1.147
  453    HD1  TRP  58           1HD      TRP  58  -4.660  -0.328  -1.558
  454    HE1  TRP  58           1HE      TRP  58  -6.739   0.871  -0.617
  455    HE3  TRP  58           3HE      TRP  58  -2.720   1.268   2.890
  456    HZ2  TRP  58           2HZ      TRP  58  -7.449   2.303   1.700
  457    HZ3  TRP  58           3HZ      TRP  58  -4.168   2.546   4.414
  458    HH2  TRP  58           2HH      TRP  58  -6.483   3.052   3.830
  459    H    LEU  59           HN       LEU  59   0.238  -0.896  -1.483
  460    HA   LEU  59           HA       LEU  59   2.089  -1.254   0.573
  461    HB2  LEU  59           2HB      LEU  59   1.990  -1.836  -2.310
  462    HB3  LEU  59           1HB      LEU  59   3.605  -1.702  -1.643
  463    HG   LEU  59           HG       LEU  59   2.828  -4.017  -1.685
  464   HD11  LEU  59          1HD1      LEU  59   4.415  -3.362   0.030
  465   HD12  LEU  59          2HD1      LEU  59   3.300  -4.577   0.656
  466   HD13  LEU  59          3HD1      LEU  59   3.094  -2.883   1.094
  467   HD21  LEU  59          3HD2      LEU  59   0.679  -3.075   0.212
  468   HD22  LEU  59          1HD2      LEU  59   1.018  -4.754  -0.210
  469   HD23  LEU  59          2HD2      LEU  59   0.433  -3.636  -1.442
  470    H    GLY  60           HN       GLY  60   2.259   0.900  -2.237
  471    HA2  GLY  60           2HA      GLY  60   4.731   2.078  -1.655
  472    HA3  GLY  60           1HA      GLY  60   3.446   2.836  -2.582
  473    H    LYS  61           HN       LYS  61   1.474   2.952  -0.540
  474    HA   LYS  61           HA       LYS  61   2.277   5.340   0.754
  475    HB2  LYS  61           2HB      LYS  61  -0.053   4.589  -0.067
  476    HB3  LYS  61           1HB      LYS  61  -0.148   3.705   1.452
  477    HG2  LYS  61           2HG      LYS  61   0.277   5.818   2.639
  478    HG3  LYS  61           1HG      LYS  61   0.193   6.667   1.097
  479    HD2  LYS  61           2HD      LYS  61  -1.956   6.870   2.064
  480    HD3  LYS  61           1HD      LYS  61  -2.101   5.636   0.812
  481    HE2  LYS  61           2HE      LYS  61  -3.248   4.738   2.636
  482    HE3  LYS  61           1HE      LYS  61  -1.675   3.952   2.690
  483    HZ1  LYS  61           3HZ      LYS  61  -0.977   5.458   4.414
  484    HZ2  LYS  61           1HZ      LYS  61  -2.435   4.730   4.886
  485    HZ3  LYS  61           2HZ      LYS  61  -2.425   6.330   4.312
  486    H    THR  62           HN       THR  62   2.205   1.983   1.614
  487    HA   THR  62           HA       THR  62   2.387   2.305   4.432
  488    HB   THR  62           HB       THR  62   3.301  -0.045   2.753
  489    HG1  THR  62           1HG      THR  62   1.090   0.442   2.392
  490   HG21  THR  62          3HG2      THR  62   2.905  -1.346   4.791
  491   HG22  THR  62          1HG2      THR  62   2.472   0.131   5.653
  492   HG23  THR  62          2HG2      THR  62   4.119  -0.095   5.065
  493    H    LEU  63           HN       LEU  63   4.718   2.154   1.799
  494    HA   LEU  63           HA       LEU  63   7.047   2.126   3.429
  495    HB2  LEU  63           2HB      LEU  63   6.687   3.181   0.620
  496    HB3  LEU  63           1HB      LEU  63   8.225   2.864   1.398
  497    HG   LEU  63           HG       LEU  63   6.145   0.792   0.684
  498   HD11  LEU  63          1HD1      LEU  63   7.783   0.031  -0.944
  499   HD12  LEU  63          2HD1      LEU  63   8.873   1.335  -0.476
  500   HD13  LEU  63          3HD1      LEU  63   7.332   1.710  -1.249
  501   HD21  LEU  63          3HD2      LEU  63   7.776  -0.848   1.408
  502   HD22  LEU  63          1HD2      LEU  63   7.383   0.237   2.739
  503   HD23  LEU  63          2HD2      LEU  63   8.900   0.433   1.860
  504    H    GLN  64           HN       GLN  64   5.046   4.641   2.024
  505    HA   GLN  64           HA       GLN  64   6.487   6.924   2.705
  506    HB2  GLN  64           2HB      GLN  64   4.529   7.042   1.291
  507    HB3  GLN  64           1HB      GLN  64   3.504   6.441   2.583
  508    HG2  GLN  64           2HG      GLN  64   4.142   8.527   3.870
  509    HG3  GLN  64           1HG      GLN  64   4.824   9.124   2.357
  510   HE21  GLN  64          1HE2      GLN  64   3.451   9.660   0.666
  511   HE22  GLN  64          2HE2      GLN  64   1.747   9.863   0.888
  512    H    GLY  65           HN       GLY  65   4.188   5.025   4.598
  513    HA2  GLY  65           2HA      GLY  65   4.062   6.752   6.833
  514    HA3  GLY  65           1HA      GLY  65   3.600   5.060   6.815
  515    H    GLN  66           HN       GLN  66   6.590   4.740   5.812
  516    HA   GLN  66           HA       GLN  66   7.629   4.345   8.507
  517    HB2  GLN  66           2HB      GLN  66   8.650   3.502   5.794
  518    HB3  GLN  66           1HB      GLN  66   9.514   3.197   7.298
  519    HG2  GLN  66           2HG      GLN  66   7.709   1.828   8.107
  520    HG3  GLN  66           1HG      GLN  66   6.736   2.215   6.686
  521   HE21  GLN  66          1HE2      GLN  66   7.237   1.285   4.728
  522   HE22  GLN  66          2HE2      GLN  66   8.292  -0.077   4.589
  523    H    GLY  67           HN       GLY  67   7.673   6.743   6.204
  524    HA2  GLY  67           2HA      GLY  67   8.744   8.824   6.699
  525    HA3  GLY  67           1HA      GLY  67  10.054   7.929   7.460
  526    H    ASP  68           HN       ASP  68   9.789   6.059   4.988
  527    HA   ASP  68           HA       ASP  68  11.804   7.513   3.485
  528    HB2  ASP  68           2HB      ASP  68  12.218   5.152   4.081
  529    HB3  ASP  68           1HB      ASP  68  10.822   4.671   3.120
  530    H    ARG  69           HN       ARG  69  10.369   9.094   2.645
  531    HA   ARG  69           HA       ARG  69   8.186   8.411   0.983
  532    HB2  ARG  69           2HB      ARG  69   8.373  10.815   0.219
  533    HB3  ARG  69           1HB      ARG  69   8.102  10.543   1.927
  534    HG2  ARG  69           2HG      ARG  69   9.652  12.264   1.873
  535    HG3  ARG  69           1HG      ARG  69  10.633  10.836   2.189
  536    HD2  ARG  69           2HD      ARG  69  11.529  10.824   0.050
  537    HD3  ARG  69           1HD      ARG  69  10.205  11.782  -0.614
  538    HE   ARG  69           HE       ARG  69  11.157  13.685   0.654
  539   HH11  ARG  69          1HH1      ARG  69  13.226  10.956  -0.063
  540   HH12  ARG  69          2HH1      ARG  69  14.677  11.908  -0.130
  541   HH21  ARG  69          1HH2      ARG  69  13.053  14.939   0.566
  542   HH22  ARG  69          2HH2      ARG  69  14.580  14.184   0.222
  543    H    ALA  70           HN       ALA  70  11.596   8.757   0.391
  544    HA   ALA  70           HA       ALA  70  11.461   8.982  -2.440
  545    HB1  ALA  70           1HB      ALA  70  13.475   9.561  -1.169
  546    HB2  ALA  70           2HB      ALA  70  13.820   8.382  -2.434
  547    HB3  ALA  70           3HB      ALA  70  13.699   7.862  -0.752
  548    H    GLY  71           HN       GLY  71  11.918   6.202  -0.289
  549    HA2  GLY  71           2HA      GLY  71  11.963   4.257  -2.354
  550    HA3  GLY  71           1HA      GLY  71  11.622   3.953  -0.655
  551    H    ALA  72           HN       ALA  72   9.411   5.813  -0.553
  552    HA   ALA  72           HA       ALA  72   7.280   4.133  -1.281
  553    HB1  ALA  72           1HB      ALA  72   5.838   6.002  -0.660
  554    HB2  ALA  72           2HB      ALA  72   7.231   7.082  -0.653
  555    HB3  ALA  72           3HB      ALA  72   7.128   5.772   0.521
  556    H    ARG  73           HN       ARG  73   8.440   7.176  -2.758
  557    HA   ARG  73           HA       ARG  73   6.489   7.104  -4.819
  558    HB2  ARG  73           2HB      ARG  73   7.835   8.856  -5.945
  559    HB3  ARG  73           1HB      ARG  73   7.443   9.234  -4.277
  560    HG2  ARG  73           2HG      ARG  73   9.672   8.767  -3.575
  561    HG3  ARG  73           1HG      ARG  73  10.090   8.117  -5.165
  562    HD2  ARG  73           2HD      ARG  73   9.819  10.267  -6.185
  563    HD3  ARG  73           1HD      ARG  73   9.181  10.947  -4.689
  564    HE   ARG  73           HE       ARG  73  11.329  11.146  -3.876
  565   HH11  ARG  73          1HH1      ARG  73  11.369   9.247  -6.834
  566   HH12  ARG  73          2HH1      ARG  73  13.098   9.365  -7.025
  567   HH21  ARG  73          1HH2      ARG  73  13.560  11.334  -4.133
  568   HH22  ARG  73          2HH2      ARG  73  14.350  10.557  -5.478
  569    H    GLN  74           HN       GLN  74   9.770   5.841  -4.589
  570    HA   GLN  74           HA       GLN  74  10.065   5.083  -7.283
  571    HB2  GLN  74           2HB      GLN  74  11.958   5.001  -5.782
  572    HB3  GLN  74           1HB      GLN  74  11.157   3.809  -4.768
  573    HG2  GLN  74           2HG      GLN  74  11.282   2.167  -6.536
  574    HG3  GLN  74           1HG      GLN  74  11.974   3.364  -7.629
  575   HE21  GLN  74          1HE2      GLN  74  12.550   1.380  -4.816
  576   HE22  GLN  74          2HE2      GLN  74  14.278   1.514  -4.836
  577    H    ALA  75           HN       ALA  75   8.517   3.459  -4.545
  578    HA   ALA  75           HA       ALA  75   7.873   1.061  -5.895
  579    HB1  ALA  75           1HB      ALA  75   6.241   0.712  -4.100
  580    HB2  ALA  75           2HB      ALA  75   6.476   2.376  -3.564
  581    HB3  ALA  75           3HB      ALA  75   7.807   1.222  -3.467
  582    H    TRP  76           HN       TRP  76   6.205   4.149  -5.565
  583    HA   TRP  76           HA       TRP  76   3.810   3.351  -6.844
  584    HB2  TRP  76           2HB      TRP  76   5.054   6.060  -6.381
  585    HB3  TRP  76           1HB      TRP  76   3.504   5.852  -7.186
  586    HD1  TRP  76           1HD      TRP  76   2.374   3.542  -5.222
  587    HE1  TRP  76           1HE      TRP  76   1.589   4.221  -2.866
  588    HE3  TRP  76           3HE      TRP  76   4.913   7.958  -4.753
  589    HZ2  TRP  76           2HZ      TRP  76   1.999   6.331  -1.051
  590    HZ3  TRP  76           3HZ      TRP  76   4.659   9.244  -2.672
  591    HH2  TRP  76           2HH      TRP  76   3.231   8.446  -0.859
  592    H    GLU  77           HN       GLU  77   6.837   4.735  -8.002
  593    HA   GLU  77           HA       GLU  77   6.170   5.128 -10.681
  594    HB2  GLU  77           2HB      GLU  77   8.697   4.501  -9.213
  595    HB3  GLU  77           1HB      GLU  77   8.700   4.480 -10.971
  596    HG2  GLU  77           2HG      GLU  77   7.634   6.836  -9.484
  597    HG3  GLU  77           1HG      GLU  77   9.365   6.630  -9.732
  598    H    SER  78           HN       SER  78   7.330   2.228  -9.010
  599    HA   SER  78           HA       SER  78   7.389   0.638 -11.385
  600    HB2  SER  78           2HB      SER  78   7.428  -0.179  -8.468
  601    HB3  SER  78           1HB      SER  78   7.749  -1.259  -9.826
  602    HG   SER  78           HG       SER  78   9.590  -0.079  -8.654
  603    H    GLY  79           HN       GLY  79   5.076   1.092  -8.748
  604    HA2  GLY  79           2HA      GLY  79   3.220  -0.883  -9.590
  605    HA3  GLY  79           1HA      GLY  79   2.864   0.485  -8.544
  606    H    LEU  80           HN       LEU  80   3.800   2.398 -10.573
  607    HA   LEU  80           HA       LEU  80   1.403   2.976 -11.888
  608    HB2  LEU  80           2HB      LEU  80   3.598   4.383 -11.429
  609    HB3  LEU  80           1HB      LEU  80   4.017   3.847 -13.039
  610    HG   LEU  80           HG       LEU  80   1.867   4.835 -13.862
  611   HD11  LEU  80          1HD1      LEU  80   0.662   4.844 -11.746
  612   HD12  LEU  80          2HD1      LEU  80   0.744   6.466 -12.431
  613   HD13  LEU  80          3HD1      LEU  80   1.799   6.022 -11.088
  614   HD21  LEU  80          3HD2      LEU  80   2.688   7.144 -13.794
  615   HD22  LEU  80          1HD2      LEU  80   3.986   5.999 -14.129
  616   HD23  LEU  80          2HD2      LEU  80   3.823   6.701 -12.519
  617    H    ALA  81           HN       ALA  81   4.427   1.656 -13.160
  618    HA   ALA  81           HA       ALA  81   3.507   1.114 -15.765
  619    HB1  ALA  81           1HB      ALA  81   5.883   1.198 -15.182
  620    HB2  ALA  81           2HB      ALA  81   5.469  -0.325 -15.970
  621    HB3  ALA  81           3HB      ALA  81   5.702  -0.272 -14.222
  622    H    ALA  82           HN       ALA  82   3.318  -0.743 -12.792
  623    HA   ALA  82           HA       ALA  82   2.445  -3.168 -13.926
  624    HB1  ALA  82           1HB      ALA  82   1.595  -3.709 -11.708
  625    HB2  ALA  82           2HB      ALA  82   1.754  -2.022 -11.215
  626    HB3  ALA  82           3HB      ALA  82   3.193  -2.973 -11.592
  627    H    ALA  83           HN       ALA  83   0.641  -0.387 -12.650
  628    HA   ALA  83           HA       ALA  83  -1.936  -1.330 -13.266
  629    HB1  ALA  83           1HB      ALA  83  -1.513   0.533 -11.742
  630    HB2  ALA  83           2HB      ALA  83  -2.639   0.996 -13.017
  631    HB3  ALA  83           3HB      ALA  83  -0.956   1.521 -13.093
  632    H    GLN  84           HN       GLN  84   0.326   0.692 -15.107
  633    HA   GLN  84           HA       GLN  84  -1.238   1.149 -17.370
  634    HB2  GLN  84           2HB      GLN  84   1.730   0.942 -16.933
  635    HB3  GLN  84           1HB      GLN  84   1.069   1.258 -18.523
  636    HG2  GLN  84           2HG      GLN  84   0.495   2.955 -16.114
  637    HG3  GLN  84           1HG      GLN  84   1.798   3.273 -17.258
  638   HE21  GLN  84          1HE2      GLN  84  -1.628   3.266 -16.749
  639   HE22  GLN  84          2HE2      GLN  84  -2.051   4.128 -18.184
  640    H    SER  85           HN       SER  85   1.055  -1.479 -16.694
  641    HA   SER  85           HA       SER  85   0.731  -2.806 -19.155
  642    HB2  SER  85           2HB      SER  85   2.632  -3.176 -17.595
  643    HB3  SER  85           1HB      SER  85   1.536  -4.006 -16.492
  644    HG   SER  85           HG       SER  85   1.203  -5.153 -18.825
  645    H    ARG  86           HN       ARG  86  -1.027  -3.096 -16.096
  646    HA   ARG  86           HA       ARG  86  -2.427  -5.455 -17.015
  647    HB2  ARG  86           2HB      ARG  86  -2.714  -3.816 -14.499
  648    HB3  ARG  86           1HB      ARG  86  -3.568  -5.317 -14.828
  649    HG2  ARG  86           2HG      ARG  86  -0.578  -5.021 -14.674
  650    HG3  ARG  86           1HG      ARG  86  -1.613  -5.654 -13.397
  651    HD2  ARG  86           2HD      ARG  86  -1.585  -6.872 -16.137
  652    HD3  ARG  86           1HD      ARG  86  -0.401  -7.332 -14.915
  653    HE   ARG  86           HE       ARG  86  -2.567  -7.772 -13.532
  654   HH11  ARG  86          1HH1      ARG  86  -2.123  -8.402 -16.957
  655   HH12  ARG  86          2HH1      ARG  86  -3.190  -9.776 -16.954
  656   HH21  ARG  86          1HH2      ARG  86  -3.965  -9.558 -13.550
  657   HH22  ARG  86          2HH2      ARG  86  -4.229 -10.436 -15.029
  658    H    GLY  87           HN       GLY  87  -2.825  -2.096 -17.232
  659    HA2  GLY  87           2HA      GLY  87  -4.391  -1.063 -18.636
  660    HA3  GLY  87           1HA      GLY  87  -5.355  -2.523 -18.583
  661    H    ASP  88           HN       ASP  88  -4.157  -0.804 -15.776
  662    HA   ASP  88           HA       ASP  88  -6.944  -0.072 -15.147
  663    HB2  ASP  88           2HB      ASP  88  -5.782  -1.738 -13.587
  664    HB3  ASP  88           1HB      ASP  88  -4.760  -0.393 -13.089
  665    H    GLN  89           HN       GLN  89  -6.903   1.892 -16.123
  666    HA   GLN  89           HA       GLN  89  -4.865   3.797 -15.874
  667    HB2  GLN  89           2HB      GLN  89  -7.794   4.185 -16.467
  668    HB3  GLN  89           1HB      GLN  89  -6.528   5.354 -16.757
  669    HG2  GLN  89           2HG      GLN  89  -6.889   2.698 -18.100
  670    HG3  GLN  89           1HG      GLN  89  -7.096   4.289 -18.818
  671   HE21  GLN  89          1HE2      GLN  89  -4.857   1.860 -17.840
  672   HE22  GLN  89          2HE2      GLN  89  -3.453   2.550 -18.579
  673    H    GLN  90           HN       GLN  90  -7.769   3.223 -13.990
  674    HA   GLN  90           HA       GLN  90  -7.835   5.572 -12.512
  675    HB2  GLN  90           2HB      GLN  90  -9.665   4.005 -12.381
  676    HB3  GLN  90           1HB      GLN  90  -8.623   2.781 -11.671
  677    HG2  GLN  90           2HG      GLN  90  -8.322   4.192  -9.695
  678    HG3  GLN  90           1HG      GLN  90  -9.392   5.399 -10.402
  679   HE21  GLN  90          1HE2      GLN  90  -9.570   3.823  -7.925
  680   HE22  GLN  90          2HE2      GLN  90 -11.111   3.027  -7.993
  681    H    VAL  91           HN       VAL  91  -6.092   2.543 -11.802
  682    HA   VAL  91           HA       VAL  91  -5.075   3.371  -9.304
  683    HB   VAL  91           HB       VAL  91  -3.966   1.371 -11.284
  684   HG11  VAL  91          1HG1      VAL  91  -2.132   2.195  -9.890
  685   HG12  VAL  91          2HG1      VAL  91  -2.555   0.540  -9.448
  686   HG13  VAL  91          3HG1      VAL  91  -3.086   1.884  -8.439
  687   HG21  VAL  91          3HG2      VAL  91  -5.502   1.049  -8.708
  688   HG22  VAL  91          1HG2      VAL  91  -4.829  -0.273  -9.660
  689   HG23  VAL  91          2HG2      VAL  91  -6.107   0.739 -10.335
  690    H    VAL  92           HN       VAL  92  -3.841   3.710 -12.580
  691    HA   VAL  92           HA       VAL  92  -1.373   4.893 -12.016
  692    HB   VAL  92           HB       VAL  92  -3.222   5.424 -14.351
  693   HG11  VAL  92          1HG1      VAL  92  -0.269   5.972 -14.058
  694   HG12  VAL  92          2HG1      VAL  92  -1.551   7.180 -14.163
  695   HG13  VAL  92          3HG1      VAL  92  -1.200   6.140 -15.547
  696   HG21  VAL  92          3HG2      VAL  92  -2.645   3.071 -14.125
  697   HG22  VAL  92          1HG2      VAL  92  -0.932   3.485 -14.054
  698   HG23  VAL  92          2HG2      VAL  92  -1.850   3.777 -15.532
  699    H    LYS  93           HN       LYS  93  -4.554   6.389 -12.564
  700    HA   LYS  93           HA       LYS  93  -3.634   9.043 -12.222
  701    HB2  LYS  93           2HB      LYS  93  -6.414   7.884 -12.019
  702    HB3  LYS  93           1HB      LYS  93  -6.057   9.606 -11.985
  703    HG2  LYS  93           2HG      LYS  93  -4.989   9.350 -14.228
  704    HG3  LYS  93           1HG      LYS  93  -5.581   7.690 -14.255
  705    HD2  LYS  93           2HD      LYS  93  -7.325  10.130 -13.954
  706    HD3  LYS  93           1HD      LYS  93  -7.038   9.283 -15.473
  707    HE2  LYS  93           2HE      LYS  93  -8.030   7.259 -14.547
  708    HE3  LYS  93           1HE      LYS  93  -8.273   8.071 -13.001
  709    HZ1  LYS  93           3HZ      LYS  93  -9.518   8.890 -15.575
  710    HZ2  LYS  93           1HZ      LYS  93  -9.776   9.613 -14.063
  711    HZ3  LYS  93           2HZ      LYS  93 -10.301   8.026 -14.339
  712    H    GLU  94           HN       GLU  94  -5.003   6.676  -9.974
  713    HA   GLU  94           HA       GLU  94  -5.267   8.371  -7.757
  714    HB2  GLU  94           2HB      GLU  94  -4.639   5.417  -7.901
  715    HB3  GLU  94           1HB      GLU  94  -5.044   6.268  -6.425
  716    HG2  GLU  94           2HG      GLU  94  -7.224   6.890  -7.491
  717    HG3  GLU  94           1HG      GLU  94  -6.807   5.796  -8.807
  718    H    LEU  95           HN       LEU  95  -2.583   6.301  -8.806
  719    HA   LEU  95           HA       LEU  95  -0.855   7.005  -6.688
  720    HB2  LEU  95           2HB      LEU  95  -0.280   5.854  -9.412
  721    HB3  LEU  95           1HB      LEU  95   0.932   6.041  -8.159
  722    HG   LEU  95           HG       LEU  95  -1.528   4.285  -8.003
  723   HD11  LEU  95          1HD1      LEU  95   0.094   2.457  -7.974
  724   HD12  LEU  95          2HD1      LEU  95   1.405   3.615  -8.196
  725   HD13  LEU  95          3HD1      LEU  95   0.200   3.393  -9.464
  726   HD21  LEU  95          3HD2      LEU  95  -0.570   3.515  -5.880
  727   HD22  LEU  95          1HD2      LEU  95  -1.024   5.218  -5.831
  728   HD23  LEU  95          2HD2      LEU  95   0.672   4.764  -6.000
  729    H    GLN  96           HN       GLN  96  -1.439   8.402  -9.858
  730    HA   GLN  96           HA       GLN  96   0.743  10.120 -10.047
  731    HB2  GLN  96           2HB      GLN  96  -2.101  10.418 -10.995
  732    HB3  GLN  96           1HB      GLN  96  -0.882  11.643 -11.315
  733    HG2  GLN  96           2HG      GLN  96  -0.678   8.762 -12.154
  734    HG3  GLN  96           1HG      GLN  96  -1.233  10.077 -13.185
  735   HE21  GLN  96          1HE2      GLN  96   1.032   8.298 -13.516
  736   HE22  GLN  96          2HE2      GLN  96   2.426   9.310 -13.635
  737    H    VAL  97           HN       VAL  97  -2.249  10.455  -8.218
  738    HA   VAL  97           HA       VAL  97  -1.909  13.138  -7.418
  739    HB   VAL  97           HB       VAL  97  -3.312  10.909  -5.928
  740   HG11  VAL  97          1HG1      VAL  97  -4.581  12.706  -4.848
  741   HG12  VAL  97          2HG1      VAL  97  -3.586  13.904  -5.675
  742   HG13  VAL  97          3HG1      VAL  97  -2.860  12.821  -4.488
  743   HG21  VAL  97          3HG2      VAL  97  -4.379  12.907  -7.916
  744   HG22  VAL  97          1HG2      VAL  97  -5.355  11.776  -6.981
  745   HG23  VAL  97          2HG2      VAL  97  -4.200  11.171  -8.170
  746    H    PHE  98           HN       PHE  98  -0.941  10.072  -5.912
  747    HA   PHE  98           HA       PHE  98   0.253  11.212  -3.623
  748    HB2  PHE  98           2HB      PHE  98   0.745   8.567  -5.000
  749    HB3  PHE  98           1HB      PHE  98   1.465   9.015  -3.457
  750    HD1  PHE  98           1HD      PHE  98  -0.069   9.497  -1.509
  751    HD2  PHE  98           2HD      PHE  98  -1.415   7.670  -5.109
  752    HE1  PHE  98           1HE      PHE  98  -2.051   8.638  -0.328
  753    HE2  PHE  98           2HE      PHE  98  -3.397   6.807  -3.935
  754    HZ   PHE  98           HZ       PHE  98  -3.718   7.290  -1.542
  755    H    LEU  99           HN       LEU  99   1.463  10.488  -6.846
  756    HA   LEU  99           HA       LEU  99   4.187  10.916  -6.367
  757    HB2  LEU  99           2HB      LEU  99   2.438  10.862  -8.733
  758    HB3  LEU  99           1HB      LEU  99   3.898  11.811  -8.920
  759    HG   LEU  99           HG       LEU  99   4.244   9.557  -9.744
  760   HD11  LEU  99          1HD1      LEU  99   6.229   8.961  -8.453
  761   HD12  LEU  99          2HD1      LEU  99   5.717  10.043  -7.160
  762   HD13  LEU  99          3HD1      LEU  99   6.144  10.697  -8.740
  763   HD21  LEU  99          3HD2      LEU  99   4.190   7.633  -8.228
  764   HD22  LEU  99          1HD2      LEU  99   2.603   8.378  -8.409
  765   HD23  LEU  99          2HD2      LEU  99   3.549   8.668  -6.951
  766    H    ARG 100           HN       ARG 100   1.589  13.215  -7.045
  767    HA   ARG 100           HA       ARG 100   3.282  15.474  -7.467
  768    HB2  ARG 100           2HB      ARG 100   0.470  15.585  -6.392
  769    HB3  ARG 100           1HB      ARG 100   1.302  16.768  -7.379
  770    HG2  ARG 100           2HG      ARG 100   0.818  14.071  -8.501
  771    HG3  ARG 100           1HG      ARG 100  -0.525  15.199  -8.363
  772    HD2  ARG 100           2HD      ARG 100   0.377  15.478 -10.538
  773    HD3  ARG 100           1HD      ARG 100   0.896  16.871  -9.596
  774    HE   ARG 100           HE       ARG 100   3.103  16.031  -9.595
  775   HH11  ARG 100          1HH1      ARG 100   0.884  13.967 -11.342
  776   HH12  ARG 100          2HH1      ARG 100   2.121  13.208 -12.294
  777   HH21  ARG 100          1HH2      ARG 100   4.750  15.049 -10.886
  778   HH22  ARG 100          2HH2      ARG 100   4.297  13.837 -12.052
  779    H    ARG 101           HN       ARG 101   1.314  14.344  -4.792
  780    HA   ARG 101           HA       ARG 101   1.972  16.233  -2.862
  781    HB2  ARG 101           2HB      ARG 101   0.343  14.097  -2.948
  782    HB3  ARG 101           1HB      ARG 101   1.652  13.401  -2.008
  783    HG2  ARG 101           2HG      ARG 101   0.196  15.932  -1.278
  784    HG3  ARG 101           1HG      ARG 101  -0.206  14.332  -0.655
  785    HD2  ARG 101           2HD      ARG 101   2.245  14.246   0.118
  786    HD3  ARG 101           1HD      ARG 101   2.249  15.989  -0.163
  787    HE   ARG 101           HE       ARG 101   0.030  15.175   1.437
  788   HH11  ARG 101          1HH1      ARG 101   3.438  15.994   1.581
  789   HH12  ARG 101          2HH1      ARG 101   3.405  16.314   3.287
  790   HH21  ARG 101          1HH2      ARG 101   0.003  15.598   3.666
  791   HH22  ARG 101          2HH2      ARG 101   1.469  16.053   4.475
  792    H    LEU 102           HN       LEU 102   3.537  13.144  -3.627
  793    HA   LEU 102           HA       LEU 102   5.521  13.294  -1.610
  794    HB2  LEU 102           2HB      LEU 102   4.639  11.341  -3.221
  795    HB3  LEU 102           1HB      LEU 102   6.061  11.812  -4.128
  796    HG   LEU 102           HG       LEU 102   6.478   9.910  -2.626
  797   HD11  LEU 102          1HD1      LEU 102   8.508  10.776  -1.569
  798   HD12  LEU 102          2HD1      LEU 102   7.951  12.424  -1.856
  799   HD13  LEU 102          3HD1      LEU 102   8.328  11.372  -3.218
  800   HD21  LEU 102          3HD2      LEU 102   4.904  10.480  -0.863
  801   HD22  LEU 102          1HD2      LEU 102   5.874  11.887  -0.432
  802   HD23  LEU 102          2HD2      LEU 102   6.527  10.264  -0.204
  803    H    ALA 103           HN       ALA 103   5.403  14.319  -4.980
  804    HA   ALA 103           HA       ALA 103   8.129  14.802  -5.353
  805    HB1  ALA 103           1HB      ALA 103   5.806  16.227  -6.644
  806    HB2  ALA 103           2HB      ALA 103   6.539  14.725  -7.203
  807    HB3  ALA 103           3HB      ALA 103   7.471  16.221  -7.224
  808    H    ARG 104           HN       ARG 104   5.604  16.905  -4.017
  809    HA   ARG 104           HA       ARG 104   7.212  19.226  -3.911
  810    HB2  ARG 104           2HB      ARG 104   4.782  18.426  -2.313
  811    HB3  ARG 104           1HB      ARG 104   5.564  19.995  -2.156
  812    HG2  ARG 104           2HG      ARG 104   5.207  20.297  -4.626
  813    HG3  ARG 104           1HG      ARG 104   4.198  18.851  -4.577
  814    HD2  ARG 104           2HD      ARG 104   2.701  19.908  -2.994
  815    HD3  ARG 104           1HD      ARG 104   3.743  21.332  -2.923
  816    HE   ARG 104           HE       ARG 104   2.532  20.522  -5.476
  817   HH11  ARG 104          1HH1      ARG 104   2.773  22.838  -2.844
  818   HH12  ARG 104          2HH1      ARG 104   2.022  24.125  -3.747
  819   HH21  ARG 104          1HH2      ARG 104   1.542  22.205  -6.643
  820   HH22  ARG 104          2HH2      ARG 104   1.320  23.764  -5.912
  821    H    GLU 105           HN       GLU 105   6.852  16.497  -1.752
  822    HA   GLU 105           HA       GLU 105   8.268  17.589   0.438
  823    HB2  GLU 105           2HB      GLU 105   7.999  14.690  -0.357
  824    HB3  GLU 105           1HB      GLU 105   8.365  15.317   1.235
  825    HG2  GLU 105           2HG      GLU 105   5.772  15.602  -0.253
  826    HG3  GLU 105           1HG      GLU 105   6.079  14.574   1.144
  827    H    ASP 106           HN       ASP 106   9.193  15.518  -2.282
  828    HA   ASP 106           HA       ASP 106  11.924  15.227  -1.486
  829    HB2  ASP 106           2HB      ASP 106  10.465  13.761  -3.068
  830    HB3  ASP 106           1HB      ASP 106  10.952  14.906  -4.307
  831    H    ALA 107           HN       ALA 107  10.150  17.390  -3.567
  832    HA   ALA 107           HA       ALA 107  12.183  18.599  -5.020
  833    HB1  ALA 107           1HB      ALA 107   9.680  19.927  -3.994
  834    HB2  ALA 107           2HB      ALA 107   9.797  18.940  -5.451
  835    HB3  ALA 107           3HB      ALA 107  10.676  20.467  -5.348
  836    H    LEU 108           HN       LEU 108  11.353  19.041  -1.674
  837    HA   LEU 108           HA       LEU 108  12.455  21.568  -1.228
  838    HB2  LEU 108           2HB      LEU 108  12.203  19.203   0.624
  839    HB3  LEU 108           1HB      LEU 108  12.641  20.815   1.132
  840    HG   LEU 108           HG       LEU 108  10.026  20.027  -0.111
  841   HD11  LEU 108          1HD1      LEU 108  10.740  20.840   2.699
  842   HD12  LEU 108          2HD1      LEU 108  10.246  19.230   2.169
  843   HD13  LEU 108          3HD1      LEU 108   9.102  20.573   2.097
  844   HD21  LEU 108          3HD2      LEU 108  10.979  22.692   0.922
  845   HD22  LEU 108          1HD2      LEU 108   9.338  22.325   0.393
  846   HD23  LEU 108          2HD2      LEU 108  10.667  22.280  -0.764
  847    H    GLU 109           HN       GLU 109  14.016  18.513  -1.779
  848    HA   GLU 109           HA       GLU 109  16.559  19.526  -0.790
  849    HB2  GLU 109           2HB      GLU 109  15.837  16.875  -2.040
  850    HB3  GLU 109           1HB      GLU 109  17.457  17.310  -1.514
  851    HG2  GLU 109           2HG      GLU 109  16.428  17.703   0.779
  852    HG3  GLU 109           1HG      GLU 109  15.011  16.857   0.154
  853    H    HIS 110           HN       HIS 110  14.806  20.004  -3.414
  854    HA   HIS 110           HA       HIS 110  15.108  20.523  -5.604
  855    HB2  HIS 110           2HB      HIS 110  16.324  22.324  -4.273
  856    HB3  HIS 110           1HB      HIS 110  17.806  21.486  -4.682
  857    HD1  HIS 110           1HD      HIS 110  15.224  23.758  -6.048
  858    HD2  HIS 110           2HD      HIS 110  18.577  21.708  -7.412
  859    HE1  HIS 110           1HE      HIS 110  15.741  24.729  -8.312
  860    HE2  HIS 110           2HE      HIS 110  17.862  23.580  -9.054
  861    H    HIS 111           HN       HIS 111  15.424  17.941  -5.418
  862    HA   HIS 111           HA       HIS 111  17.914  16.814  -5.864
  863    HB2  HIS 111           2HB      HIS 111  16.791  14.809  -6.585
  864    HB3  HIS 111           1HB      HIS 111  15.928  15.502  -5.229
  865    HD1  HIS 111           1HD      HIS 111  13.511  15.205  -5.494
  866    HD2  HIS 111           2HD      HIS 111  15.386  15.764  -9.170
  867    HE1  HIS 111           1HE      HIS 111  11.673  15.160  -7.219
  868    HE2  HIS 111           2HE      HIS 111  12.835  15.429  -9.445
  869    H    HIS 112           HN       HIS 112  15.796  18.412  -8.133
  870    HA   HIS 112           HA       HIS 112  17.257  17.381 -10.418
  871    HB2  HIS 112           2HB      HIS 112  14.760  17.888 -10.437
  872    HB3  HIS 112           1HB      HIS 112  15.197  19.594 -10.453
  873    HD1  HIS 112           1HD      HIS 112  15.714  16.465 -12.534
  874    HD2  HIS 112           2HD      HIS 112  15.723  20.601 -12.947
  875    HE1  HIS 112           1HE      HIS 112  15.967  16.898 -14.992
  876    HE2  HIS 112           2HE      HIS 112  16.259  19.390 -15.165
  877    H    HIS 113           HN       HIS 113  18.981  18.543  -8.748
  878    HA   HIS 113           HA       HIS 113  19.591  21.212  -9.733
  879    HB2  HIS 113           2HB      HIS 113  21.499  21.136  -8.198
  880    HB3  HIS 113           1HB      HIS 113  20.020  20.683  -7.362
  881    HD1  HIS 113           1HD      HIS 113  23.341  19.361  -8.425
  882    HD2  HIS 113           2HD      HIS 113  19.905  17.986  -6.518
  883    HE1  HIS 113           1HE      HIS 113  23.960  17.138  -7.416
  884    HE2  HIS 113           2HE      HIS 113  21.827  16.251  -6.406
  885    H    HIS 114           HN       HIS 114  19.991  18.098 -10.757
  886    HA   HIS 114           HA       HIS 114  22.540  18.635 -12.115
  887    HB2  HIS 114           2HB      HIS 114  22.203  16.559 -10.640
  888    HB3  HIS 114           1HB      HIS 114  21.135  15.969 -11.908
  889    HD1  HIS 114           1HD      HIS 114  22.927  13.973 -12.012
  890    HD2  HIS 114           2HD      HIS 114  24.240  17.695 -13.334
  891    HE1  HIS 114           1HE      HIS 114  25.038  13.530 -13.305
  892    HE2  HIS 114           2HE      HIS 114  25.919  15.812 -13.916
  893    H    HIS 115           HN       HIS 115  21.957  19.767 -13.876
  894    HA   HIS 115           HA       HIS 115  21.305  20.142 -16.009
  895    HB2  HIS 115           2HB      HIS 115  21.865  17.747 -16.414
  896    HB3  HIS 115           1HB      HIS 115  20.210  17.319 -16.003
  897    HD1  HIS 115           1HD      HIS 115  18.355  18.545 -17.630
  898    HD2  HIS 115           2HD      HIS 115  22.244  18.200 -19.055
  899    HE1  HIS 115           1HE      HIS 115  18.187  18.803 -20.131
  900    HE2  HIS 115           2HE      HIS 115  20.565  18.689 -20.963
  Start of MODEL    8
    1    H1   MET   1           H1       MET   1 -11.925   1.048  19.863
    2    H2   MET   1           H2       MET   1 -11.252   2.525  19.373
    3    H3   MET   1           H3       MET   1 -10.459   1.586  20.538
    4    HA   MET   1           HA       MET   1 -10.908   0.849  17.711
    5    HB2  MET   1           2HB      MET   1  -8.441   1.762  19.191
    6    HB3  MET   1           1HB      MET   1  -8.397   1.013  17.603
    7    HG2  MET   1           2HG      MET   1  -8.243   3.350  17.297
    8    HG3  MET   1           1HG      MET   1  -9.846   2.855  16.767
    9    HE1  MET   1           2HE      MET   1 -10.539   6.423  18.150
   10    HE2  MET   1           3HE      MET   1 -10.751   5.310  16.799
   11    HE3  MET   1           1HE      MET   1  -9.134   5.867  17.241
   12    H    GLN   2           HN       GLN   2 -11.374  -1.251  17.749
   13    HA   GLN   2           HA       GLN   2  -9.924  -3.033  19.523
   14    HB2  GLN   2           2HB      GLN   2 -11.470  -4.720  18.788
   15    HB3  GLN   2           1HB      GLN   2 -12.371  -3.299  19.245
   16    HG2  GLN   2           2HG      GLN   2 -11.668  -3.980  16.405
   17    HG3  GLN   2           1HG      GLN   2 -13.160  -4.498  17.185
   18   HE21  GLN   2          1HE2      GLN   2 -14.754  -2.974  17.639
   19   HE22  GLN   2          2HE2      GLN   2 -14.737  -1.383  16.941
   20    H    ALA   3           HN       ALA   3  -8.947  -4.999  18.596
   21    HA   ALA   3           HA       ALA   3  -7.795  -4.422  15.953
   22    HB1  ALA   3           1HB      ALA   3  -6.653  -6.106  18.168
   23    HB2  ALA   3           2HB      ALA   3  -6.146  -4.474  17.727
   24    HB3  ALA   3           3HB      ALA   3  -5.907  -5.807  16.598
   25    H    ILE   4           HN       ILE   4  -9.482  -5.317  14.810
   26    HA   ILE   4           HA       ILE   4 -10.466  -7.940  15.113
   27    HB   ILE   4           HB       ILE   4 -10.281  -6.303  12.575
   28   HG12  ILE   4          2HG1      ILE   4 -12.524  -6.437  14.601
   29   HG13  ILE   4          1HG1      ILE   4 -11.399  -5.095  14.430
   30   HG21  ILE   4          1HG2      ILE   4 -12.131  -8.571  13.314
   31   HG22  ILE   4          2HG2      ILE   4 -10.797  -8.655  12.164
   32   HG23  ILE   4          3HG2      ILE   4 -12.192  -7.633  11.822
   33   HD11  ILE   4          3HD1      ILE   4 -13.507  -4.581  13.370
   34   HD12  ILE   4          1HD1      ILE   4 -13.381  -6.027  12.368
   35   HD13  ILE   4          2HD1      ILE   4 -12.231  -4.709  12.158
   36    H    THR   5           HN       THR   5  -7.565  -6.660  13.812
   37    HA   THR   5           HA       THR   5  -6.780  -8.695  12.077
   38    HB   THR   5           HB       THR   5  -4.427  -7.925  12.714
   39    HG1  THR   5           1HG      THR   5  -4.277  -6.660  14.395
   40   HG21  THR   5          3HG2      THR   5  -4.694  -5.774  11.564
   41   HG22  THR   5          1HG2      THR   5  -6.438  -5.861  11.805
   42   HG23  THR   5          2HG2      THR   5  -5.631  -7.041  10.775
   43    H    GLU   6           HN       GLU   6  -6.530  -8.421  15.601
   44    HA   GLU   6           HA       GLU   6  -4.692 -10.491  16.012
   45    HB2  GLU   6           2HB      GLU   6  -6.861  -9.453  17.840
   46    HB3  GLU   6           1HB      GLU   6  -5.566 -10.532  18.339
   47    HG2  GLU   6           2HG      GLU   6  -3.927  -8.798  17.642
   48    HG3  GLU   6           1HG      GLU   6  -5.278  -7.718  17.309
   49    H    ARG   7           HN       ARG   7  -8.250 -10.583  15.883
   50    HA   ARG   7           HA       ARG   7  -8.360 -13.386  16.436
   51    HB2  ARG   7           2HB      ARG   7 -10.717 -13.256  15.899
   52    HB3  ARG   7           1HB      ARG   7 -10.264 -11.888  16.908
   53    HG2  ARG   7           2HG      ARG   7 -10.209 -10.446  14.944
   54    HG3  ARG   7           1HG      ARG   7 -10.635 -11.816  13.919
   55    HD2  ARG   7           2HD      ARG   7 -12.594 -10.468  14.389
   56    HD3  ARG   7           1HD      ARG   7 -12.748 -12.058  15.137
   57    HE   ARG   7           HE       ARG   7 -11.643 -10.105  16.921
   58   HH11  ARG   7          1HH1      ARG   7 -14.610 -11.387  15.581
   59   HH12  ARG   7          2HH1      ARG   7 -15.597 -10.850  16.906
   60   HH21  ARG   7          1HH2      ARG   7 -12.931  -9.413  18.678
   61   HH22  ARG   7          2HH2      ARG   7 -14.644  -9.713  18.666
   62    H    LEU   8           HN       LEU   8  -8.173 -11.426  13.540
   63    HA   LEU   8           HA       LEU   8  -8.704 -13.483  11.672
   64    HB2  LEU   8           2HB      LEU   8  -7.036 -10.982  11.380
   65    HB3  LEU   8           1HB      LEU   8  -7.508 -12.023  10.051
   66    HG   LEU   8           HG       LEU   8  -9.421 -10.483  11.811
   67   HD11  LEU   8          1HD1      LEU   8  -9.765  -9.086   9.828
   68   HD12  LEU   8          2HD1      LEU   8  -8.490  -9.971   8.988
   69   HD13  LEU   8          3HD1      LEU   8  -8.103  -8.999  10.409
   70   HD21  LEU   8          3HD2      LEU   8 -11.108 -11.136  10.183
   71   HD22  LEU   8          1HD2      LEU   8 -10.367 -12.561  10.913
   72   HD23  LEU   8          2HD2      LEU   8  -9.904 -12.063   9.285
   73    H    GLU   9           HN       GLU   9  -5.658 -12.205  12.979
   74    HA   GLU   9           HA       GLU   9  -3.817 -13.806  11.667
   75    HB2  GLU   9           2HB      GLU   9  -3.757 -12.857  14.543
   76    HB3  GLU   9           1HB      GLU   9  -2.367 -13.460  13.654
   77    HG2  GLU   9           2HG      GLU   9  -3.913 -11.133  12.604
   78    HG3  GLU   9           1HG      GLU   9  -2.751 -10.907  13.908
   79    H    ALA  10           HN       ALA  10  -5.827 -14.522  14.453
   80    HA   ALA  10           HA       ALA  10  -4.600 -16.922  15.244
   81    HB1  ALA  10           1HB      ALA  10  -6.648 -17.364  16.485
   82    HB2  ALA  10           2HB      ALA  10  -7.482 -16.093  15.590
   83    HB3  ALA  10           3HB      ALA  10  -6.152 -15.683  16.674
   84    H    MET  11           HN       MET  11  -7.413 -16.324  13.131
   85    HA   MET  11           HA       MET  11  -8.013 -19.028  12.672
   86    HB2  MET  11           2HB      MET  11  -8.610 -16.562  11.045
   87    HB3  MET  11           1HB      MET  11  -9.235 -18.153  10.653
   88    HG2  MET  11           2HG      MET  11 -10.294 -18.230  12.894
   89    HG3  MET  11           1HG      MET  11  -9.773 -16.566  13.144
   90    HE1  MET  11           3HE      MET  11 -10.135 -15.383  10.183
   91    HE2  MET  11           1HE      MET  11 -10.607 -14.523  11.647
   92    HE3  MET  11           2HE      MET  11 -11.754 -14.690  10.318
   93    H    LEU  12           HN       LEU  12  -5.765 -16.844  11.113
   94    HA   LEU  12           HA       LEU  12  -5.192 -18.413   8.844
   95    HB2  LEU  12           2HB      LEU  12  -3.817 -16.232  10.314
   96    HB3  LEU  12           1HB      LEU  12  -2.842 -17.200   9.226
   97    HG   LEU  12           HG       LEU  12  -4.380 -16.620   7.372
   98   HD11  LEU  12          1HD1      LEU  12  -5.993 -14.824   7.651
   99   HD12  LEU  12          2HD1      LEU  12  -5.649 -14.768   9.379
  100   HD13  LEU  12          3HD1      LEU  12  -6.399 -16.201   8.677
  101   HD21  LEU  12          3HD2      LEU  12  -3.222 -14.254   8.834
  102   HD22  LEU  12          1HD2      LEU  12  -3.629 -14.319   7.120
  103   HD23  LEU  12          2HD2      LEU  12  -2.340 -15.336   7.757
  104    H    ALA  13           HN       ALA  13  -4.086 -18.568  12.160
  105    HA   ALA  13           HA       ALA  13  -1.847 -20.250  11.698
  106    HB1  ALA  13           1HB      ALA  13  -3.422 -19.840  14.234
  107    HB2  ALA  13           2HB      ALA  13  -2.045 -18.874  13.701
  108    HB3  ALA  13           3HB      ALA  13  -1.824 -20.575  14.111
  109    H    GLN  14           HN       GLN  14  -5.258 -20.880  11.999
  110    HA   GLN  14           HA       GLN  14  -4.956 -23.679  12.537
  111    HB2  GLN  14           2HB      GLN  14  -7.266 -21.966  11.667
  112    HB3  GLN  14           1HB      GLN  14  -7.403 -23.716  11.700
  113    HG2  GLN  14           2HG      GLN  14  -8.309 -22.940  13.707
  114    HG3  GLN  14           1HG      GLN  14  -6.737 -23.606  14.125
  115   HE21  GLN  14          1HE2      GLN  14  -5.126 -22.239  14.835
  116   HE22  GLN  14          2HE2      GLN  14  -5.429 -20.588  15.280
  117    H    GLY  15           HN       GLY  15  -4.194 -21.890   9.887
  118    HA2  GLY  15           2HA      GLY  15  -3.268 -22.887   7.948
  119    HA3  GLY  15           1HA      GLY  15  -4.316 -24.277   8.189
  120    H    THR  16           HN       THR  16  -5.968 -21.377   8.617
  121    HA   THR  16           HA       THR  16  -7.279 -21.730   6.031
  122    HB   THR  16           HB       THR  16  -8.188 -19.883   8.237
  123    HG1  THR  16           1HG      THR  16  -8.176 -22.669   8.137
  124   HG21  THR  16          3HG2      THR  16  -9.666 -21.396   6.074
  125   HG22  THR  16          1HG2      THR  16  -9.332 -19.664   6.084
  126   HG23  THR  16          2HG2      THR  16 -10.412 -20.360   7.292
  127    H    ASP  17           HN       ASP  17  -4.727 -20.623   5.963
  128    HA   ASP  17           HA       ASP  17  -5.244 -17.803   5.308
  129    HB2  ASP  17           2HB      ASP  17  -3.475 -17.953   6.922
  130    HB3  ASP  17           1HB      ASP  17  -2.664 -19.216   5.999
  131    H    ASN  18           HN       ASN  18  -5.590 -17.467   3.248
  132    HA   ASN  18           HA       ASN  18  -4.182 -19.151   1.299
  133    HB2  ASN  18           2HB      ASN  18  -6.145 -18.466  -0.248
  134    HB3  ASN  18           1HB      ASN  18  -6.411 -19.702   0.964
  135   HD21  ASN  18          1HD2      ASN  18  -8.575 -19.440   1.127
  136   HD22  ASN  18          2HD2      ASN  18  -9.326 -18.024   1.773
  137    H    MET  19           HN       MET  19  -5.855 -16.021   1.241
  138    HA   MET  19           HA       MET  19  -3.520 -14.502   0.691
  139    HB2  MET  19           2HB      MET  19  -3.765 -15.728  -1.474
  140    HB3  MET  19           1HB      MET  19  -5.344 -14.991  -1.678
  141    HG2  MET  19           2HG      MET  19  -2.849 -13.359  -1.376
  142    HG3  MET  19           1HG      MET  19  -3.384 -13.973  -2.935
  143    HE1  MET  19           3HE      MET  19  -2.862 -10.897  -2.426
  144    HE2  MET  19           1HE      MET  19  -4.271 -10.194  -3.215
  145    HE3  MET  19           2HE      MET  19  -3.437 -11.558  -3.955
  146    H    LEU  20           HN       LEU  20  -7.009 -14.795   0.247
  147    HA   LEU  20           HA       LEU  20  -7.629 -12.085  -0.025
  148    HB2  LEU  20           2HB      LEU  20  -9.015 -14.391  -0.210
  149    HB3  LEU  20           1HB      LEU  20  -9.596 -13.828   1.342
  150    HG   LEU  20           HG       LEU  20 -11.083 -13.194  -0.511
  151   HD11  LEU  20          1HD1      LEU  20 -11.018 -11.800   1.493
  152   HD12  LEU  20          2HD1      LEU  20 -11.335 -10.840   0.049
  153   HD13  LEU  20          3HD1      LEU  20  -9.730 -10.832   0.778
  154   HD21  LEU  20          3HD2      LEU  20 -10.391 -11.535  -2.141
  155   HD22  LEU  20          1HD2      LEU  20  -9.391 -12.983  -2.256
  156   HD23  LEU  20          2HD2      LEU  20  -8.761 -11.536  -1.470
  157    H    LEU  21           HN       LEU  21  -7.574 -14.124   2.886
  158    HA   LEU  21           HA       LEU  21  -8.376 -11.997   4.620
  159    HB2  LEU  21           2HB      LEU  21  -7.092 -14.664   5.216
  160    HB3  LEU  21           1HB      LEU  21  -7.640 -13.548   6.447
  161    HG   LEU  21           HG       LEU  21  -9.960 -13.768   5.397
  162   HD11  LEU  21          1HD1      LEU  21 -10.390 -15.811   4.147
  163   HD12  LEU  21          2HD1      LEU  21  -8.669 -16.193   4.155
  164   HD13  LEU  21          3HD1      LEU  21  -9.253 -14.776   3.281
  165   HD21  LEU  21          3HD2      LEU  21  -9.347 -14.760   7.530
  166   HD22  LEU  21          1HD2      LEU  21  -8.672 -16.160   6.699
  167   HD23  LEU  21          2HD2      LEU  21 -10.404 -15.839   6.620
  168    H    ARG  22           HN       ARG  22  -5.426 -12.928   3.192
  169    HA   ARG  22           HA       ARG  22  -3.730 -12.137   5.359
  170    HB2  ARG  22           2HB      ARG  22  -3.278 -13.949   3.618
  171    HB3  ARG  22           1HB      ARG  22  -2.854 -12.635   2.525
  172    HG2  ARG  22           2HG      ARG  22  -0.946 -12.110   3.672
  173    HG3  ARG  22           1HG      ARG  22  -1.562 -12.739   5.201
  174    HD2  ARG  22           2HD      ARG  22   0.117 -14.241   4.501
  175    HD3  ARG  22           1HD      ARG  22  -1.420 -15.035   4.177
  176    HE   ARG  22           HE       ARG  22  -0.195 -13.596   1.969
  177   HH11  ARG  22          1HH1      ARG  22  -0.908 -16.654   3.517
  178   HH12  ARG  22          2HH1      ARG  22  -0.383 -17.599   2.157
  179   HH21  ARG  22          1HH2      ARG  22   0.526 -14.842   0.192
  180   HH22  ARG  22          2HH2      ARG  22   0.459 -16.573   0.276
  181    H    PHE  23           HN       PHE  23  -4.506 -10.739   2.155
  182    HA   PHE  23           HA       PHE  23  -2.870  -8.450   2.616
  183    HB2  PHE  23           2HB      PHE  23  -3.729  -7.517   0.617
  184    HB3  PHE  23           1HB      PHE  23  -3.606  -9.244   0.328
  185    HD1  PHE  23           2HD      PHE  23  -5.910  -6.436   0.861
  186    HD2  PHE  23           1HD      PHE  23  -5.561 -10.571  -0.079
  187    HE1  PHE  23           2HE      PHE  23  -8.256  -6.461   0.123
  188    HE2  PHE  23           1HE      PHE  23  -7.903 -10.598  -0.828
  189    HZ   PHE  23           HZ       PHE  23  -9.254  -8.545  -0.725
  190    H    THR  24           HN       THR  24  -6.183  -9.275   3.319
  191    HA   THR  24           HA       THR  24  -7.218  -6.768   3.956
  192    HB   THR  24           HB       THR  24  -7.832  -9.458   5.196
  193    HG1  THR  24           1HG      THR  24  -8.513  -9.670   3.166
  194   HG21  THR  24          3HG2      THR  24  -8.632  -7.624   6.627
  195   HG22  THR  24          1HG2      THR  24  -9.972  -8.480   5.868
  196   HG23  THR  24          2HG2      THR  24  -9.462  -6.913   5.245
  197    H    LEU  25           HN       LEU  25  -5.226  -8.983   5.847
  198    HA   LEU  25           HA       LEU  25  -5.271  -7.594   8.287
  199    HB2  LEU  25           2HB      LEU  25  -3.122  -9.284   7.009
  200    HB3  LEU  25           1HB      LEU  25  -3.027  -8.677   8.651
  201    HG   LEU  25           HG       LEU  25  -5.222 -10.491   7.656
  202   HD11  LEU  25          1HD1      LEU  25  -4.076 -12.272   8.840
  203   HD12  LEU  25          2HD1      LEU  25  -2.766 -11.169   9.264
  204   HD13  LEU  25          3HD1      LEU  25  -3.040 -11.606   7.576
  205   HD21  LEU  25          3HD2      LEU  25  -4.393  -9.661  10.434
  206   HD22  LEU  25          1HD2      LEU  25  -5.688 -10.786  10.031
  207   HD23  LEU  25          2HD2      LEU  25  -5.819  -9.088   9.572
  208    H    GLY  26           HN       GLY  26  -3.060  -7.365   5.518
  209    HA2  GLY  26           2HA      GLY  26  -1.345  -5.416   6.569
  210    HA3  GLY  26           1HA      GLY  26  -1.602  -5.727   4.858
  211    H    LYS  27           HN       LYS  27  -4.298  -5.073   4.638
  212    HA   LYS  27           HA       LYS  27  -4.285  -2.317   4.283
  213    HB2  LYS  27           2HB      LYS  27  -6.632  -4.172   4.724
  214    HB3  LYS  27           1HB      LYS  27  -6.754  -2.529   4.116
  215    HG2  LYS  27           2HG      LYS  27  -5.549  -3.121   2.124
  216    HG3  LYS  27           1HG      LYS  27  -5.230  -4.740   2.755
  217    HD2  LYS  27           2HD      LYS  27  -7.073  -4.764   1.145
  218    HD3  LYS  27           1HD      LYS  27  -7.629  -5.216   2.757
  219    HE2  LYS  27           2HE      LYS  27  -8.415  -2.887   3.086
  220    HE3  LYS  27           1HE      LYS  27  -7.944  -2.531   1.425
  221    HZ1  LYS  27           3HZ      LYS  27  -9.530  -4.154   0.639
  222    HZ2  LYS  27           1HZ      LYS  27 -10.312  -3.024   1.630
  223    HZ3  LYS  27           2HZ      LYS  27  -9.953  -4.571   2.227
  224    H    THR  28           HN       THR  28  -5.635  -4.246   6.925
  225    HA   THR  28           HA       THR  28  -6.720  -2.023   8.306
  226    HB   THR  28           HB       THR  28  -6.064  -4.725   9.489
  227    HG1  THR  28           1HG      THR  28  -7.330  -5.191   7.743
  228   HG21  THR  28          3HG2      THR  28  -6.732  -2.974  11.092
  229   HG22  THR  28          1HG2      THR  28  -7.944  -4.250  10.969
  230   HG23  THR  28          2HG2      THR  28  -8.206  -2.702  10.165
  231    H    TYR  29           HN       TYR  29  -3.689  -3.853   8.659
  232    HA   TYR  29           HA       TYR  29  -2.825  -2.570  11.010
  233    HB2  TYR  29           2HB      TYR  29  -1.370  -4.019   8.822
  234    HB3  TYR  29           1HB      TYR  29  -0.479  -3.211  10.106
  235    HD1  TYR  29           2HD      TYR  29  -1.366  -3.814  12.551
  236    HD2  TYR  29           1HD      TYR  29  -1.858  -6.251   9.104
  237    HE1  TYR  29           2HE      TYR  29  -1.647  -5.784  13.993
  238    HE2  TYR  29           1HE      TYR  29  -2.138  -8.231  10.535
  239    HH   TYR  29           HH       TYR  29  -1.697  -9.010  12.715
  240    H    ALA  30           HN       ALA  30  -2.418  -1.744   7.594
  241    HA   ALA  30           HA       ALA  30  -0.575   0.368   8.017
  242    HB1  ALA  30           1HB      ALA  30  -1.108   1.045   5.738
  243    HB2  ALA  30           2HB      ALA  30  -2.524  -0.005   5.741
  244    HB3  ALA  30           3HB      ALA  30  -0.907  -0.706   5.831
  245    H    GLU  31           HN       GLU  31  -4.088   0.294   7.659
  246    HA   GLU  31           HA       GLU  31  -4.483   3.084   7.923
  247    HB2  GLU  31           2HB      GLU  31  -6.342   0.746   8.368
  248    HB3  GLU  31           1HB      GLU  31  -6.862   2.426   8.372
  249    HG2  GLU  31           2HG      GLU  31  -5.567   1.012   6.050
  250    HG3  GLU  31           1HG      GLU  31  -7.295   1.302   6.236
  251    H    HIS  32           HN       HIS  32  -3.867   0.580  10.186
  252    HA   HIS  32           HA       HIS  32  -4.966   2.078  12.435
  253    HB2  HIS  32           2HB      HIS  32  -4.878  -0.579  11.943
  254    HB3  HIS  32           1HB      HIS  32  -3.418  -0.400  12.910
  255    HD1  HIS  32           1HD      HIS  32  -3.804  -0.708  15.324
  256    HD2  HIS  32           2HD      HIS  32  -7.194   0.697  13.371
  257    HE1  HIS  32           1HE      HIS  32  -5.600  -0.579  17.087
  258    HE2  HIS  32           2HE      HIS  32  -7.689   0.073  15.826
  259    H    GLU  33           HN       GLU  33  -2.366   2.532  10.721
  260    HA   GLU  33           HA       GLU  33  -0.386   3.585  11.024
  261    HB2  GLU  33           2HB      GLU  33  -1.783   4.833  12.783
  262    HB3  GLU  33           1HB      GLU  33  -0.974   3.818  13.969
  263    HG2  GLU  33           2HG      GLU  33   1.194   4.672  13.218
  264    HG3  GLU  33           1HG      GLU  33   0.377   5.693  12.037
  265    H    GLN  34           HN       GLN  34  -0.789   0.694  11.433
  266    HA   GLN  34           HA       GLN  34   1.683   0.081  12.916
  267    HB2  GLN  34           2HB      GLN  34  -0.684  -1.654  12.177
  268    HB3  GLN  34           1HB      GLN  34   0.817  -2.297  12.829
  269    HG2  GLN  34           2HG      GLN  34   0.510  -1.144  14.886
  270    HG3  GLN  34           1HG      GLN  34  -0.850  -0.231  14.238
  271   HE21  GLN  34          1HE2      GLN  34   0.232  -3.318  15.430
  272   HE22  GLN  34          2HE2      GLN  34  -1.342  -3.998  15.651
  273    H    PHE  35           HN       PHE  35   2.046   1.276  10.595
  274    HA   PHE  35           HA       PHE  35   1.773   0.014   8.177
  275    HB2  PHE  35           2HB      PHE  35   4.054   1.807   9.027
  276    HB3  PHE  35           1HB      PHE  35   3.573   1.472   7.370
  277    HD1  PHE  35           2HD      PHE  35   1.428   2.333   6.511
  278    HD2  PHE  35           1HD      PHE  35   2.909   3.407  10.350
  279    HE1  PHE  35           2HE      PHE  35  -0.120   4.244   6.569
  280    HE2  PHE  35           1HE      PHE  35   1.368   5.324  10.413
  281    HZ   PHE  35           HZ       PHE  35  -0.149   5.745   8.518
  282    H    ASP  36           HN       ASP  36   4.473  -0.316  10.450
  283    HA   ASP  36           HA       ASP  36   6.178  -1.758   8.732
  284    HB2  ASP  36           2HB      ASP  36   6.713  -0.596  10.956
  285    HB3  ASP  36           1HB      ASP  36   6.137  -2.068  11.725
  286    H    ALA  37           HN       ALA  37   3.699  -2.751  10.989
  287    HA   ALA  37           HA       ALA  37   4.188  -5.560  10.793
  288    HB1  ALA  37           1HB      ALA  37   1.728  -4.107  11.773
  289    HB2  ALA  37           2HB      ALA  37   3.115  -4.567  12.762
  290    HB3  ALA  37           3HB      ALA  37   2.103  -5.811  12.030
  291    H    ALA  38           HN       ALA  38   2.317  -3.249   9.018
  292    HA   ALA  38           HA       ALA  38   0.542  -5.048   7.737
  293    HB1  ALA  38           1HB      ALA  38   0.119  -2.643   7.886
  294    HB2  ALA  38           2HB      ALA  38   0.083  -3.207   6.214
  295    HB3  ALA  38           3HB      ALA  38   1.492  -2.338   6.821
  296    H    LEU  39           HN       LEU  39   3.765  -3.883   7.001
  297    HA   LEU  39           HA       LEU  39   3.910  -4.340   4.291
  298    HB2  LEU  39           2HB      LEU  39   6.090  -4.599   6.349
  299    HB3  LEU  39           1HB      LEU  39   6.360  -4.532   4.620
  300    HG   LEU  39           HG       LEU  39   5.113  -2.337   6.273
  301   HD11  LEU  39          1HD1      LEU  39   7.196  -1.135   5.827
  302   HD12  LEU  39          2HD1      LEU  39   7.849  -2.567   5.031
  303   HD13  LEU  39          3HD1      LEU  39   7.478  -2.606   6.755
  304   HD21  LEU  39          3HD2      LEU  39   5.907  -2.414   3.362
  305   HD22  LEU  39          1HD2      LEU  39   5.330  -0.995   4.237
  306   HD23  LEU  39          2HD2      LEU  39   4.260  -2.375   3.991
  307    HA   PRO  40           HA       PRO  40   5.728  -8.820   5.049
  308    HB2  PRO  40           2HB      PRO  40   4.698 -10.034   7.319
  309    HB3  PRO  40           1HB      PRO  40   6.325  -9.362   7.170
  310    HG2  PRO  40           2HG      PRO  40   3.880  -8.163   8.390
  311    HG3  PRO  40           1HG      PRO  40   5.568  -8.071   8.925
  312    HD2  PRO  40           2HD      PRO  40   4.383  -6.018   7.670
  313    HD3  PRO  40           1HD      PRO  40   6.095  -6.406   7.404
  314    H    HIS  41           HN       HIS  41   2.512  -8.142   6.427
  315    HA   HIS  41           HA       HIS  41   1.328 -10.509   5.391
  316    HB2  HIS  41           2HB      HIS  41   0.170  -7.961   6.495
  317    HB3  HIS  41           1HB      HIS  41  -0.859  -9.217   5.819
  318    HD1  HIS  41           1HD      HIS  41   0.165 -11.751   6.971
  319    HD2  HIS  41           2HD      HIS  41   0.061  -8.226   9.177
  320    HE1  HIS  41           1HE      HIS  41   0.108 -12.459   9.374
  321    HE2  HIS  41           2HE      HIS  41  -0.209 -10.328  10.668
  322    H    LEU  42           HN       LEU  42   1.451  -7.158   4.248
  323    HA   LEU  42           HA       LEU  42  -0.194  -7.562   1.975
  324    HB2  LEU  42           2HB      LEU  42   1.904  -5.492   2.611
  325    HB3  LEU  42           1HB      LEU  42   0.963  -5.466   1.132
  326    HG   LEU  42           HG       LEU  42  -0.206  -5.306   3.914
  327   HD11  LEU  42          1HD1      LEU  42   0.239  -3.147   1.854
  328   HD12  LEU  42          2HD1      LEU  42   1.113  -3.325   3.376
  329   HD13  LEU  42          3HD1      LEU  42  -0.611  -2.954   3.387
  330   HD21  LEU  42          3HD2      LEU  42  -1.736  -6.291   2.303
  331   HD22  LEU  42          1HD2      LEU  42  -1.446  -4.956   1.186
  332   HD23  LEU  42          2HD2      LEU  42  -2.255  -4.658   2.724
  333    H    ARG  43           HN       ARG  43   3.310  -7.719   2.476
  334    HA   ARG  43           HA       ARG  43   3.986  -8.161  -0.233
  335    HB2  ARG  43           2HB      ARG  43   5.580  -7.472   1.572
  336    HB3  ARG  43           1HB      ARG  43   5.518  -9.116   2.193
  337    HG2  ARG  43           2HG      ARG  43   6.429  -9.961   0.104
  338    HG3  ARG  43           1HG      ARG  43   6.440  -8.326  -0.562
  339    HD2  ARG  43           2HD      ARG  43   7.946  -7.669   1.335
  340    HD3  ARG  43           1HD      ARG  43   8.067  -9.381   1.738
  341    HE   ARG  43           HE       ARG  43   8.951  -9.646  -0.614
  342   HH11  ARG  43          1HH1      ARG  43   9.322  -6.689   1.229
  343   HH12  ARG  43          2HH1      ARG  43  10.733  -6.166   0.355
  344   HH21  ARG  43          1HH2      ARG  43  10.834  -8.985  -1.741
  345   HH22  ARG  43          2HH2      ARG  43  11.615  -7.493  -1.305
  346    H    ALA  44           HN       ALA  44   3.275 -10.369   2.442
  347    HA   ALA  44           HA       ALA  44   3.804 -12.766   1.067
  348    HB1  ALA  44           1HB      ALA  44   1.873 -12.300   3.337
  349    HB2  ALA  44           2HB      ALA  44   3.594 -12.636   3.502
  350    HB3  ALA  44           3HB      ALA  44   2.520 -13.857   2.824
  351    H    ALA  45           HN       ALA  45   0.964 -10.698   1.187
  352    HA   ALA  45           HA       ALA  45  -0.856 -12.468  -0.038
  353    HB1  ALA  45           1HB      ALA  45  -0.773  -9.457  -0.162
  354    HB2  ALA  45           2HB      ALA  45  -1.557 -10.422   1.089
  355    HB3  ALA  45           3HB      ALA  45  -2.157 -10.473  -0.568
  356    H    LEU  46           HN       LEU  46   1.275  -9.979  -1.399
  357    HA   LEU  46           HA       LEU  46   0.634 -10.572  -4.111
  358    HB2  LEU  46           2HB      LEU  46   2.991  -9.114  -2.920
  359    HB3  LEU  46           1HB      LEU  46   2.637  -9.194  -4.634
  360    HG   LEU  46           HG       LEU  46   0.911  -7.893  -2.526
  361   HD11  LEU  46          1HD1      LEU  46   2.593  -6.756  -4.751
  362   HD12  LEU  46          2HD1      LEU  46   2.882  -6.593  -3.020
  363   HD13  LEU  46          3HD1      LEU  46   1.473  -5.829  -3.754
  364   HD21  LEU  46          3HD2      LEU  46  -0.479  -7.152  -4.395
  365   HD22  LEU  46          1HD2      LEU  46  -0.443  -8.911  -4.285
  366   HD23  LEU  46          2HD2      LEU  46   0.519  -8.087  -5.510
  367    H    ASP  47           HN       ASP  47   2.888 -11.850  -1.821
  368    HA   ASP  47           HA       ASP  47   4.663 -13.176  -3.526
  369    HB2  ASP  47           2HB      ASP  47   4.960 -12.975  -1.087
  370    HB3  ASP  47           1HB      ASP  47   3.621 -14.080  -0.838
  371    H    PHE  48           HN       PHE  48   1.500 -14.082  -2.307
  372    HA   PHE  48           HA       PHE  48   1.524 -16.648  -3.619
  373    HB2  PHE  48           2HB      PHE  48   0.268 -16.267  -1.516
  374    HB3  PHE  48           1HB      PHE  48  -0.791 -15.152  -2.368
  375    HD1  PHE  48           1HD      PHE  48   0.273 -18.680  -2.157
  376    HD2  PHE  48           2HD      PHE  48  -2.620 -15.929  -3.622
  377    HE1  PHE  48           1HE      PHE  48  -1.194 -20.557  -2.773
  378    HE2  PHE  48           2HE      PHE  48  -4.094 -17.797  -4.242
  379    HZ   PHE  48           HZ       PHE  48  -3.381 -20.116  -3.821
  380    H    ASP  49           HN       ASP  49  -0.032 -13.506  -4.171
  381    HA   ASP  49           HA       ASP  49  -0.317 -14.203  -6.985
  382    HB2  ASP  49           2HB      ASP  49  -2.487 -14.757  -5.668
  383    HB3  ASP  49           1HB      ASP  49  -2.705 -13.010  -5.606
  384    HA   PRO  50           HA       PRO  50   1.441 -10.057  -6.301
  385    HB2  PRO  50           2HB      PRO  50   2.761  -9.959  -8.677
  386    HB3  PRO  50           1HB      PRO  50   3.389 -10.787  -7.247
  387    HG2  PRO  50           2HG      PRO  50   1.965 -11.932  -9.623
  388    HG3  PRO  50           1HG      PRO  50   3.398 -12.542  -8.773
  389    HD2  PRO  50           2HD      PRO  50   0.945 -13.569  -8.350
  390    HD3  PRO  50           1HD      PRO  50   2.151 -13.449  -7.053
  391    H    THR  51           HN       THR  51  -0.913 -11.123  -8.447
  392    HA   THR  51           HA       THR  51  -1.047  -8.565  -9.869
  393    HB   THR  51           HB       THR  51  -2.761 -10.987 -10.418
  394    HG1  THR  51           1HG      THR  51  -0.932 -11.903 -11.004
  395   HG21  THR  51          3HG2      THR  51  -3.463  -8.861 -11.444
  396   HG22  THR  51          1HG2      THR  51  -2.901 -10.008 -12.660
  397   HG23  THR  51          2HG2      THR  51  -1.859  -8.679 -12.153
  398    H    TYR  52           HN       TYR  52  -1.658  -8.133  -7.337
  399    HA   TYR  52           HA       TYR  52  -4.577  -7.792  -7.454
  400    HB2  TYR  52           2HB      TYR  52  -3.573  -9.280  -5.552
  401    HB3  TYR  52           1HB      TYR  52  -3.106  -7.739  -4.837
  402    HD1  TYR  52           1HD      TYR  52  -6.000  -9.737  -5.991
  403    HD2  TYR  52           2HD      TYR  52  -4.709  -6.372  -3.728
  404    HE1  TYR  52           1HE      TYR  52  -8.269  -9.478  -5.095
  405    HE2  TYR  52           2HE      TYR  52  -6.977  -6.115  -2.815
  406    HH   TYR  52           HH       TYR  52  -9.431  -8.510  -3.272
  407    H    SER  53           HN       SER  53  -4.519  -5.882  -8.468
  408    HA   SER  53           HA       SER  53  -2.740  -3.831  -8.310
  409    HB2  SER  53           2HB      SER  53  -5.686  -3.408  -8.768
  410    HB3  SER  53           1HB      SER  53  -4.327  -2.559  -9.509
  411    HG   SER  53           HG       SER  53  -4.730  -3.990 -11.047
  412    H    VAL  54           HN       VAL  54  -5.469  -4.392  -6.161
  413    HA   VAL  54           HA       VAL  54  -5.568  -1.836  -4.991
  414    HB   VAL  54           HB       VAL  54  -6.268  -4.465  -3.667
  415   HG11  VAL  54          1HG1      VAL  54  -7.228  -1.658  -3.114
  416   HG12  VAL  54          2HG1      VAL  54  -6.133  -2.600  -2.102
  417   HG13  VAL  54          3HG1      VAL  54  -7.803  -3.121  -2.317
  418   HG21  VAL  54          3HG2      VAL  54  -8.549  -4.071  -4.465
  419   HG22  VAL  54          1HG2      VAL  54  -7.416  -4.253  -5.804
  420   HG23  VAL  54          2HG2      VAL  54  -7.995  -2.651  -5.352
  421    H    ALA  55           HN       ALA  55  -3.600  -4.674  -4.272
  422    HA   ALA  55           HA       ALA  55  -2.657  -3.696  -1.758
  423    HB1  ALA  55           1HB      ALA  55  -2.782  -6.085  -2.266
  424    HB2  ALA  55           2HB      ALA  55  -1.154  -5.601  -1.795
  425    HB3  ALA  55           3HB      ALA  55  -1.534  -5.887  -3.494
  426    H    TRP  56           HN       TRP  56  -1.620  -3.346  -5.061
  427    HA   TRP  56           HA       TRP  56   1.096  -2.782  -4.647
  428    HB2  TRP  56           2HB      TRP  56  -0.711  -1.601  -6.770
  429    HB3  TRP  56           1HB      TRP  56   1.044  -1.673  -6.827
  430    HD1  TRP  56           1HD      TRP  56   0.856  -4.886  -5.713
  431    HE1  TRP  56           1HE      TRP  56   0.425  -6.659  -7.527
  432    HE3  TRP  56           3HE      TRP  56  -1.038  -1.856  -9.358
  433    HZ2  TRP  56           2HZ      TRP  56  -0.595  -6.756 -10.151
  434    HZ3  TRP  56           3HZ      TRP  56  -1.727  -2.870 -11.487
  435    HH2  TRP  56           2HH      TRP  56  -1.510  -5.268 -11.875
  436    H    LYS  57           HN       LYS  57  -1.679  -0.539  -4.895
  437    HA   LYS  57           HA       LYS  57  -0.184   1.738  -4.290
  438    HB2  LYS  57           2HB      LYS  57  -2.419   2.757  -3.963
  439    HB3  LYS  57           1HB      LYS  57  -2.183   1.986  -5.506
  440    HG2  LYS  57           2HG      LYS  57  -3.350  -0.029  -4.295
  441    HG3  LYS  57           1HG      LYS  57  -3.978   1.257  -3.256
  442    HD2  LYS  57           2HD      LYS  57  -4.583   2.442  -5.471
  443    HD3  LYS  57           1HD      LYS  57  -4.368   0.854  -6.204
  444    HE2  LYS  57           2HE      LYS  57  -6.663   1.017  -5.741
  445    HE3  LYS  57           1HE      LYS  57  -6.006  -0.001  -4.459
  446    HZ1  LYS  57           3HZ      LYS  57  -6.555   2.913  -4.235
  447    HZ2  LYS  57           1HZ      LYS  57  -5.976   1.904  -2.996
  448    HZ3  LYS  57           2HZ      LYS  57  -7.538   1.680  -3.606
  449    H    TRP  58           HN       TRP  58  -1.881  -0.578  -2.245
  450    HA   TRP  58           HA       TRP  58  -1.869   0.858   0.159
  451    HB2  TRP  58           2HB      TRP  58  -1.780  -2.074  -0.471
  452    HB3  TRP  58           1HB      TRP  58  -1.565  -1.535   1.189
  453    HD1  TRP  58           1HD      TRP  58  -4.181  -2.688  -1.017
  454    HE1  TRP  58           1HE      TRP  58  -6.509  -2.013  -0.167
  455    HE3  TRP  58           3HE      TRP  58  -2.804   0.863   2.404
  456    HZ2  TRP  58           2HZ      TRP  58  -7.618  -0.225   1.707
  457    HZ3  TRP  58           3HZ      TRP  58  -4.565   1.998   3.685
  458    HH2  TRP  58           2HH      TRP  58  -6.922   1.469   3.341
  459    H    LEU  59           HN       LEU  59   0.621  -1.240  -1.270
  460    HA   LEU  59           HA       LEU  59   2.452  -1.204   0.821
  461    HB2  LEU  59           2HB      LEU  59   2.855  -1.342  -2.153
  462    HB3  LEU  59           1HB      LEU  59   4.186  -1.478  -1.024
  463    HG   LEU  59           HG       LEU  59   1.813  -3.340  -1.176
  464   HD11  LEU  59          1HD1      LEU  59   4.695  -3.762  -1.960
  465   HD12  LEU  59          2HD1      LEU  59   3.346  -3.550  -3.076
  466   HD13  LEU  59          3HD1      LEU  59   3.408  -4.965  -2.025
  467   HD21  LEU  59          3HD2      LEU  59   3.044  -4.705   0.427
  468   HD22  LEU  59          1HD2      LEU  59   2.677  -3.116   1.099
  469   HD23  LEU  59          2HD2      LEU  59   4.304  -3.476   0.520
  470    H    GLY  60           HN       GLY  60   2.231   1.029  -1.931
  471    HA2  GLY  60           2HA      GLY  60   4.446   2.608  -1.309
  472    HA3  GLY  60           1HA      GLY  60   3.064   3.141  -2.251
  473    H    LYS  61           HN       LYS  61   1.032   3.091  -0.364
  474    HA   LYS  61           HA       LYS  61   1.571   5.561   0.946
  475    HB2  LYS  61           2HB      LYS  61  -0.705   5.477   1.727
  476    HB3  LYS  61           1HB      LYS  61  -0.665   4.929   0.059
  477    HG2  LYS  61           2HG      LYS  61  -0.702   2.580   0.906
  478    HG3  LYS  61           1HG      LYS  61  -0.942   3.232   2.528
  479    HD2  LYS  61           2HD      LYS  61  -2.761   3.680   0.160
  480    HD3  LYS  61           1HD      LYS  61  -3.058   2.559   1.488
  481    HE2  LYS  61           2HE      LYS  61  -2.732   5.534   1.797
  482    HE3  LYS  61           1HE      LYS  61  -4.282   4.712   1.686
  483    HZ1  LYS  61           3HZ      LYS  61  -2.263   4.152   3.789
  484    HZ2  LYS  61           1HZ      LYS  61  -3.858   3.587   3.729
  485    HZ3  LYS  61           2HZ      LYS  61  -3.549   5.232   3.986
  486    H    THR  62           HN       THR  62   1.791   2.257   1.872
  487    HA   THR  62           HA       THR  62   1.671   2.678   4.695
  488    HB   THR  62           HB       THR  62   2.744   0.333   3.110
  489    HG1  THR  62           1HG      THR  62   0.567   0.517   2.724
  490   HG21  THR  62          3HG2      THR  62   1.985   0.525   6.026
  491   HG22  THR  62          1HG2      THR  62   3.621   0.340   5.392
  492   HG23  THR  62          2HG2      THR  62   2.440  -0.952   5.174
  493    H    LEU  63           HN       LEU  63   4.256   2.476   2.291
  494    HA   LEU  63           HA       LEU  63   6.399   2.293   4.119
  495    HB2  LEU  63           2HB      LEU  63   6.282   3.255   1.269
  496    HB3  LEU  63           1HB      LEU  63   7.779   3.122   2.171
  497    HG   LEU  63           HG       LEU  63   5.917   0.829   1.536
  498   HD11  LEU  63          1HD1      LEU  63   7.681   0.090   0.026
  499   HD12  LEU  63          2HD1      LEU  63   8.612   1.544   0.390
  500   HD13  LEU  63          3HD1      LEU  63   7.064   1.674  -0.444
  501   HD21  LEU  63          3HD2      LEU  63   7.746  -0.571   2.388
  502   HD22  LEU  63          1HD2      LEU  63   7.094   0.491   3.636
  503   HD23  LEU  63          2HD2      LEU  63   8.628   0.883   2.858
  504    H    GLN  64           HN       GLN  64   4.618   5.027   2.861
  505    HA   GLN  64           HA       GLN  64   6.454   7.058   3.509
  506    HB2  GLN  64           2HB      GLN  64   4.125   7.057   2.203
  507    HB3  GLN  64           1HB      GLN  64   3.517   7.562   3.769
  508    HG2  GLN  64           2HG      GLN  64   5.716   8.975   2.275
  509    HG3  GLN  64           1HG      GLN  64   4.014   9.419   2.192
  510   HE21  GLN  64          1HE2      GLN  64   6.233  11.039   3.070
  511   HE22  GLN  64          2HE2      GLN  64   5.918  11.462   4.718
  512    H    GLY  65           HN       GLY  65   3.744   5.670   5.351
  513    HA2  GLY  65           2HA      GLY  65   4.354   7.206   7.713
  514    HA3  GLY  65           1HA      GLY  65   3.158   5.922   7.582
  515    H    GLN  66           HN       GLN  66   5.466   4.279   6.366
  516    HA   GLN  66           HA       GLN  66   6.272   2.986   8.773
  517    HB2  GLN  66           2HB      GLN  66   5.930   1.948   6.461
  518    HB3  GLN  66           1HB      GLN  66   7.491   2.627   6.031
  519    HG2  GLN  66           2HG      GLN  66   7.242   0.858   8.423
  520    HG3  GLN  66           1HG      GLN  66   7.299   0.159   6.809
  521   HE21  GLN  66          1HE2      GLN  66   9.190  -0.154   8.958
  522   HE22  GLN  66          2HE2      GLN  66  10.709   0.449   8.375
  523    H    GLY  67           HN       GLY  67   7.581   5.457   6.728
  524    HA2  GLY  67           2HA      GLY  67   9.071   6.963   8.110
  525    HA3  GLY  67           1HA      GLY  67  10.031   5.514   8.371
  526    H    ASP  68           HN       ASP  68   9.272   4.779   5.474
  527    HA   ASP  68           HA       ASP  68  11.625   6.138   4.386
  528    HB2  ASP  68           2HB      ASP  68  11.477   3.609   4.457
  529    HB3  ASP  68           1HB      ASP  68  10.215   3.727   3.237
  530    H    ARG  69           HN       ARG  69  10.592   8.082   3.890
  531    HA   ARG  69           HA       ARG  69   8.245   8.285   2.336
  532    HB2  ARG  69           2HB      ARG  69   9.130  10.695   1.974
  533    HB3  ARG  69           1HB      ARG  69   8.691  10.184   3.598
  534    HG2  ARG  69           2HG      ARG  69  11.211   9.581   3.811
  535    HG3  ARG  69           1HG      ARG  69  11.397  10.664   2.430
  536    HD2  ARG  69           2HD      ARG  69   9.832  11.571   4.804
  537    HD3  ARG  69           1HD      ARG  69  11.591  11.568   4.882
  538    HE   ARG  69           HE       ARG  69  11.465  13.019   2.822
  539   HH11  ARG  69          1HH1      ARG  69   8.838  12.916   5.146
  540   HH12  ARG  69          2HH1      ARG  69   8.375  14.569   4.889
  541   HH21  ARG  69          1HH2      ARG  69  10.902  15.222   2.538
  542   HH22  ARG  69          2HH2      ARG  69   9.567  15.893   3.436
  543    H    ALA  70           HN       ALA  70  11.683   8.382   1.461
  544    HA   ALA  70           HA       ALA  70  11.236   8.860  -1.314
  545    HB1  ALA  70           1HB      ALA  70  13.571   8.185  -1.607
  546    HB2  ALA  70           2HB      ALA  70  13.608   7.593   0.055
  547    HB3  ALA  70           3HB      ALA  70  13.392   9.312  -0.265
  548    H    GLY  71           HN       GLY  71  11.513   5.969   0.660
  549    HA2  GLY  71           2HA      GLY  71  11.519   4.094  -1.453
  550    HA3  GLY  71           1HA      GLY  71  11.042   3.772   0.208
  551    H    ALA  72           HN       ALA  72   8.915   5.654   0.337
  552    HA   ALA  72           HA       ALA  72   6.742   4.222  -0.671
  553    HB1  ALA  72           1HB      ALA  72   6.554   5.848   1.151
  554    HB2  ALA  72           2HB      ALA  72   5.405   6.201  -0.139
  555    HB3  ALA  72           3HB      ALA  72   6.875   7.161   0.017
  556    H    ARG  73           HN       ARG  73   8.272   7.175  -1.917
  557    HA   ARG  73           HA       ARG  73   6.725   7.495  -4.211
  558    HB2  ARG  73           2HB      ARG  73   8.286   9.204  -3.406
  559    HB3  ARG  73           1HB      ARG  73   9.644   8.160  -3.794
  560    HG2  ARG  73           2HG      ARG  73   8.860   8.231  -6.191
  561    HG3  ARG  73           1HG      ARG  73   7.760   9.518  -5.698
  562    HD2  ARG  73           2HD      ARG  73   9.883  10.364  -6.656
  563    HD3  ARG  73           1HD      ARG  73   9.612  10.897  -4.996
  564    HE   ARG  73           HE       ARG  73  11.507   9.790  -4.377
  565   HH11  ARG  73          1HH1      ARG  73  10.507   8.621  -7.519
  566   HH12  ARG  73          2HH1      ARG  73  11.810   7.483  -7.664
  567   HH21  ARG  73          1HH2      ARG  73  13.264   8.330  -4.580
  568   HH22  ARG  73          2HH2      ARG  73  13.400   7.344  -5.999
  569    H    GLN  74           HN       GLN  74   9.783   5.741  -3.765
  570    HA   GLN  74           HA       GLN  74  10.077   4.857  -6.408
  571    HB2  GLN  74           2HB      GLN  74  11.843   4.767  -4.667
  572    HB3  GLN  74           1HB      GLN  74  10.975   3.453  -3.887
  573    HG2  GLN  74           2HG      GLN  74  11.249   2.095  -5.920
  574    HG3  GLN  74           1HG      GLN  74  12.180   3.405  -6.644
  575   HE21  GLN  74          1HE2      GLN  74  12.988   0.677  -6.084
  576   HE22  GLN  74          2HE2      GLN  74  14.365   0.793  -5.034
  577    H    ALA  75           HN       ALA  75   8.343   3.441  -3.681
  578    HA   ALA  75           HA       ALA  75   7.717   0.962  -4.853
  579    HB1  ALA  75           1HB      ALA  75   7.480   1.433  -2.453
  580    HB2  ALA  75           2HB      ALA  75   5.997   0.776  -3.147
  581    HB3  ALA  75           3HB      ALA  75   6.123   2.503  -2.806
  582    H    TRP  76           HN       TRP  76   6.063   4.084  -4.928
  583    HA   TRP  76           HA       TRP  76   3.770   3.164  -6.300
  584    HB2  TRP  76           2HB      TRP  76   4.986   5.907  -6.022
  585    HB3  TRP  76           1HB      TRP  76   3.497   5.614  -6.913
  586    HD1  TRP  76           1HD      TRP  76   2.069   3.607  -4.922
  587    HE1  TRP  76           1HE      TRP  76   1.187   4.458  -2.661
  588    HE3  TRP  76           3HE      TRP  76   4.947   7.808  -4.455
  589    HZ2  TRP  76           2HZ      TRP  76   1.648   6.617  -0.910
  590    HZ3  TRP  76           3HZ      TRP  76   4.662   9.209  -2.458
  591    HH2  TRP  76           2HH      TRP  76   3.047   8.626  -0.724
  592    H    GLU  77           HN       GLU  77   6.899   4.379  -7.369
  593    HA   GLU  77           HA       GLU  77   6.346   4.551 -10.118
  594    HB2  GLU  77           2HB      GLU  77   8.938   3.742  -8.787
  595    HB3  GLU  77           1HB      GLU  77   8.766   4.302 -10.442
  596    HG2  GLU  77           2HG      GLU  77   7.955   6.472  -9.565
  597    HG3  GLU  77           1HG      GLU  77   8.289   5.893  -7.933
  598    H    SER  78           HN       SER  78   7.415   1.876  -8.087
  599    HA   SER  78           HA       SER  78   7.682  -0.023 -10.176
  600    HB2  SER  78           2HB      SER  78   8.765  -0.283  -7.973
  601    HB3  SER  78           1HB      SER  78   7.181  -0.461  -7.219
  602    HG   SER  78           HG       SER  78   8.644  -2.255  -8.776
  603    H    GLY  79           HN       GLY  79   5.073   0.682  -7.869
  604    HA2  GLY  79           2HA      GLY  79   3.317  -1.347  -8.782
  605    HA3  GLY  79           1HA      GLY  79   2.864   0.058  -7.827
  606    H    LEU  80           HN       LEU  80   3.953   1.904  -9.888
  607    HA   LEU  80           HA       LEU  80   1.576   2.352 -11.307
  608    HB2  LEU  80           2HB      LEU  80   3.600   3.926 -10.795
  609    HB3  LEU  80           1HB      LEU  80   4.215   3.335 -12.319
  610    HG   LEU  80           HG       LEU  80   2.183   4.145 -13.460
  611   HD11  LEU  80          1HD1      LEU  80   0.619   4.006 -11.615
  612   HD12  LEU  80          2HD1      LEU  80   0.657   5.648 -12.255
  613   HD13  LEU  80          3HD1      LEU  80   1.492   5.268 -10.750
  614   HD21  LEU  80          3HD2      LEU  80   3.605   6.244 -11.828
  615   HD22  LEU  80          1HD2      LEU  80   2.687   6.525 -13.309
  616   HD23  LEU  80          2HD2      LEU  80   4.165   5.562 -13.357
  617    H    ALA  81           HN       ALA  81   4.709   1.168 -12.454
  618    HA   ALA  81           HA       ALA  81   3.914   0.562 -15.079
  619    HB1  ALA  81           1HB      ALA  81   6.263   0.697 -14.393
  620    HB2  ALA  81           2HB      ALA  81   5.921  -0.838 -15.188
  621    HB3  ALA  81           3HB      ALA  81   6.069  -0.768 -13.433
  622    H    ALA  82           HN       ALA  82   3.649  -1.290 -12.106
  623    HA   ALA  82           HA       ALA  82   2.847  -3.732 -13.282
  624    HB1  ALA  82           1HB      ALA  82   3.573  -3.529 -10.934
  625    HB2  ALA  82           2HB      ALA  82   2.007  -4.322 -11.084
  626    HB3  ALA  82           3HB      ALA  82   2.095  -2.638 -10.572
  627    H    ALA  83           HN       ALA  83   1.068  -0.910 -12.114
  628    HA   ALA  83           HA       ALA  83  -1.521  -1.898 -12.744
  629    HB1  ALA  83           1HB      ALA  83  -0.579   0.947 -12.404
  630    HB2  ALA  83           2HB      ALA  83  -1.191  -0.104 -11.126
  631    HB3  ALA  83           3HB      ALA  83  -2.258   0.412 -12.431
  632    H    GLN  84           HN       GLN  84   0.833   0.080 -14.477
  633    HA   GLN  84           HA       GLN  84  -0.736   0.691 -16.710
  634    HB2  GLN  84           2HB      GLN  84   2.247   0.338 -16.421
  635    HB3  GLN  84           1HB      GLN  84   1.483   0.957 -17.869
  636    HG2  GLN  84           2HG      GLN  84   0.987   2.274 -15.238
  637    HG3  GLN  84           1HG      GLN  84   2.474   2.590 -16.124
  638   HE21  GLN  84          1HE2      GLN  84  -0.547   1.985 -17.776
  639   HE22  GLN  84          2HE2      GLN  84  -0.790   3.600 -18.335
  640    H    SER  85           HN       SER  85   1.480  -2.008 -16.098
  641    HA   SER  85           HA       SER  85   1.132  -3.341 -18.536
  642    HB2  SER  85           2HB      SER  85   2.915  -3.858 -16.894
  643    HB3  SER  85           1HB      SER  85   1.701  -4.536 -15.813
  644    HG   SER  85           HG       SER  85   2.915  -6.041 -17.221
  645    H    ARG  86           HN       ARG  86  -0.691  -3.550 -15.513
  646    HA   ARG  86           HA       ARG  86  -2.432  -5.608 -16.372
  647    HB2  ARG  86           2HB      ARG  86  -1.822  -4.112 -14.022
  648    HB3  ARG  86           1HB      ARG  86  -3.562  -4.069 -14.280
  649    HG2  ARG  86           2HG      ARG  86  -1.958  -6.597 -14.306
  650    HG3  ARG  86           1HG      ARG  86  -2.715  -5.931 -12.858
  651    HD2  ARG  86           2HD      ARG  86  -4.104  -6.739 -15.405
  652    HD3  ARG  86           1HD      ARG  86  -4.147  -7.584 -13.866
  653    HE   ARG  86           HE       ARG  86  -5.024  -4.992 -13.377
  654   HH11  ARG  86          1HH1      ARG  86  -6.092  -7.769 -15.260
  655   HH12  ARG  86          2HH1      ARG  86  -7.771  -7.302 -15.204
  656   HH21  ARG  86          1HH2      ARG  86  -7.208  -4.383 -13.327
  657   HH22  ARG  86          2HH2      ARG  86  -8.399  -5.392 -14.101
  658    H    GLY  87           HN       GLY  87  -2.319  -2.264 -16.999
  659    HA2  GLY  87           2HA      GLY  87  -3.748  -0.951 -18.253
  660    HA3  GLY  87           1HA      GLY  87  -4.814  -2.337 -18.413
  661    H    ASP  88           HN       ASP  88  -3.837  -1.398 -15.256
  662    HA   ASP  88           HA       ASP  88  -6.579  -0.744 -14.582
  663    HB2  ASP  88           2HB      ASP  88  -4.098  -1.157 -12.916
  664    HB3  ASP  88           1HB      ASP  88  -5.587  -0.527 -12.224
  665    H    GLN  89           HN       GLN  89  -6.667   1.184 -15.807
  666    HA   GLN  89           HA       GLN  89  -5.017   3.397 -15.558
  667    HB2  GLN  89           2HB      GLN  89  -7.968   3.209 -16.150
  668    HB3  GLN  89           1HB      GLN  89  -7.026   4.676 -16.333
  669    HG2  GLN  89           2HG      GLN  89  -6.479   2.103 -17.777
  670    HG3  GLN  89           1HG      GLN  89  -7.382   3.457 -18.447
  671   HE21  GLN  89          1HE2      GLN  89  -4.925   2.235 -19.402
  672   HE22  GLN  89          2HE2      GLN  89  -3.729   3.487 -19.417
  673    H    GLN  90           HN       GLN  90  -7.810   2.439 -13.662
  674    HA   GLN  90           HA       GLN  90  -8.163   4.712 -12.108
  675    HB2  GLN  90           2HB      GLN  90  -9.772   2.933 -12.023
  676    HB3  GLN  90           1HB      GLN  90  -8.569   1.794 -11.438
  677    HG2  GLN  90           2HG      GLN  90  -8.385   3.110  -9.361
  678    HG3  GLN  90           1HG      GLN  90  -9.670   4.165  -9.948
  679   HE21  GLN  90          1HE2      GLN  90  -9.485   2.391  -7.603
  680   HE22  GLN  90          2HE2      GLN  90 -10.860   1.332  -7.705
  681    H    VAL  91           HN       VAL  91  -6.023   1.946 -11.562
  682    HA   VAL  91           HA       VAL  91  -5.134   2.829  -9.004
  683    HB   VAL  91           HB       VAL  91  -3.828   0.856 -10.896
  684   HG11  VAL  91          1HG1      VAL  91  -2.718  -0.022  -8.894
  685   HG12  VAL  91          2HG1      VAL  91  -3.433   1.273  -7.933
  686   HG13  VAL  91          3HG1      VAL  91  -2.271   1.658  -9.203
  687   HG21  VAL  91          3HG2      VAL  91  -6.098   0.181 -10.339
  688   HG22  VAL  91          1HG2      VAL  91  -5.760   0.402  -8.620
  689   HG23  VAL  91          2HG2      VAL  91  -4.933  -0.866  -9.526
  690    H    VAL  92           HN       VAL  92  -3.931   3.122 -12.296
  691    HA   VAL  92           HA       VAL  92  -1.463   4.321 -11.781
  692    HB   VAL  92           HB       VAL  92  -3.341   4.833 -14.100
  693   HG11  VAL  92          1HG1      VAL  92  -1.339   5.586 -15.313
  694   HG12  VAL  92          2HG1      VAL  92  -0.403   5.451 -13.824
  695   HG13  VAL  92          3HG1      VAL  92  -1.718   6.621 -13.937
  696   HG21  VAL  92          3HG2      VAL  92  -1.031   2.926 -13.795
  697   HG22  VAL  92          1HG2      VAL  92  -1.892   3.243 -15.300
  698   HG23  VAL  92          2HG2      VAL  92  -2.736   2.506 -13.939
  699    H    LYS  93           HN       LYS  93  -4.646   5.801 -12.293
  700    HA   LYS  93           HA       LYS  93  -3.846   8.465 -11.955
  701    HB2  LYS  93           2HB      LYS  93  -6.526   7.185 -11.411
  702    HB3  LYS  93           1HB      LYS  93  -6.242   8.919 -11.501
  703    HG2  LYS  93           2HG      LYS  93  -5.853   6.936 -13.735
  704    HG3  LYS  93           1HG      LYS  93  -7.182   8.085 -13.575
  705    HD2  LYS  93           2HD      LYS  93  -5.592   9.942 -13.719
  706    HD3  LYS  93           1HD      LYS  93  -4.263   8.793 -13.872
  707    HE2  LYS  93           2HE      LYS  93  -5.262   7.937 -15.948
  708    HE3  LYS  93           1HE      LYS  93  -6.559   9.125 -15.801
  709    HZ1  LYS  93           3HZ      LYS  93  -4.855  10.880 -15.899
  710    HZ2  LYS  93           1HZ      LYS  93  -4.891   9.934 -17.306
  711    HZ3  LYS  93           2HZ      LYS  93  -3.664   9.700 -16.157
  712    H    GLU  94           HN       GLU  94  -5.037   6.092  -9.586
  713    HA   GLU  94           HA       GLU  94  -5.128   7.769  -7.364
  714    HB2  GLU  94           2HB      GLU  94  -4.516   4.818  -7.571
  715    HB3  GLU  94           1HB      GLU  94  -4.785   5.651  -6.054
  716    HG2  GLU  94           2HG      GLU  94  -7.037   6.316  -6.917
  717    HG3  GLU  94           1HG      GLU  94  -6.753   5.248  -8.287
  718    H    LEU  95           HN       LEU  95  -2.457   5.778  -8.606
  719    HA   LEU  95           HA       LEU  95  -0.645   6.463  -6.543
  720    HB2  LEU  95           2HB      LEU  95  -0.083   5.465  -9.333
  721    HB3  LEU  95           1HB      LEU  95   1.086   5.522  -8.027
  722    HG   LEU  95           HG       LEU  95  -1.412   3.831  -8.116
  723   HD11  LEU  95          1HD1      LEU  95   0.150   1.954  -8.135
  724   HD12  LEU  95          2HD1      LEU  95   1.505   3.083  -8.203
  725   HD13  LEU  95          3HD1      LEU  95   0.363   2.993  -9.544
  726   HD21  LEU  95          3HD2      LEU  95  -0.992   4.598  -5.856
  727   HD22  LEU  95          1HD2      LEU  95   0.689   4.080  -5.972
  728   HD23  LEU  95          2HD2      LEU  95  -0.605   2.883  -6.005
  729    H    GLN  96           HN       GLN  96  -1.290   7.851  -9.716
  730    HA   GLN  96           HA       GLN  96   0.853   9.618  -9.886
  731    HB2  GLN  96           2HB      GLN  96  -1.957   9.727 -10.946
  732    HB3  GLN  96           1HB      GLN  96  -0.836  11.054 -11.222
  733    HG2  GLN  96           2HG      GLN  96  -0.293   8.198 -12.000
  734    HG3  GLN  96           1HG      GLN  96  -0.976   9.411 -13.081
  735   HE21  GLN  96          1HE2      GLN  96   0.320  11.097 -13.819
  736   HE22  GLN  96          2HE2      GLN  96   2.045  11.044 -13.693
  737    H    VAL  97           HN       VAL  97  -2.249   9.980  -8.214
  738    HA   VAL  97           HA       VAL  97  -1.981  12.682  -7.510
  739    HB   VAL  97           HB       VAL  97  -3.384  10.485  -5.968
  740   HG11  VAL  97          1HG1      VAL  97  -3.704  13.486  -5.828
  741   HG12  VAL  97          2HG1      VAL  97  -3.012  12.452  -4.576
  742   HG13  VAL  97          3HG1      VAL  97  -4.719  12.308  -4.997
  743   HG21  VAL  97          3HG2      VAL  97  -4.435  12.417  -8.036
  744   HG22  VAL  97          1HG2      VAL  97  -5.407  11.277  -7.104
  745   HG23  VAL  97          2HG2      VAL  97  -4.208  10.681  -8.250
  746    H    PHE  98           HN       PHE  98  -1.006   9.734  -5.781
  747    HA   PHE  98           HA       PHE  98   0.047  11.059  -3.516
  748    HB2  PHE  98           2HB      PHE  98   0.606   8.312  -4.648
  749    HB3  PHE  98           1HB      PHE  98   1.244   8.884  -3.110
  750    HD1  PHE  98           2HD      PHE  98  -0.518   9.746  -1.407
  751    HD2  PHE  98           1HD      PHE  98  -1.409   7.198  -4.690
  752    HE1  PHE  98           2HE      PHE  98  -2.567   8.997  -0.264
  753    HE2  PHE  98           1HE      PHE  98  -3.454   6.440  -3.555
  754    HZ   PHE  98           HZ       PHE  98  -4.037   7.338  -1.339
  755    H    LEU  99           HN       LEU  99   1.511   9.935  -6.525
  756    HA   LEU  99           HA       LEU  99   4.183  10.412  -5.876
  757    HB2  LEU  99           2HB      LEU  99   2.718  10.391  -8.499
  758    HB3  LEU  99           1HB      LEU  99   4.446  10.674  -8.410
  759    HG   LEU  99           HG       LEU  99   3.079   8.202  -7.349
  760   HD11  LEU  99          1HD1      LEU  99   3.997   7.067  -9.304
  761   HD12  LEU  99          2HD1      LEU  99   4.600   8.606  -9.920
  762   HD13  LEU  99          3HD1      LEU  99   2.863   8.333  -9.774
  763   HD21  LEU  99          3HD2      LEU  99   5.192   8.758  -6.243
  764   HD22  LEU  99          1HD2      LEU  99   5.992   8.840  -7.813
  765   HD23  LEU  99          2HD2      LEU  99   5.344   7.306  -7.232
  766    H    ARG 100           HN       ARG 100   1.704  12.629  -7.035
  767    HA   ARG 100           HA       ARG 100   3.456  14.792  -7.613
  768    HB2  ARG 100           2HB      ARG 100   0.543  14.898  -6.807
  769    HB3  ARG 100           1HB      ARG 100   1.450  16.165  -7.611
  770    HG2  ARG 100           2HG      ARG 100   1.848  14.438  -9.429
  771    HG3  ARG 100           1HG      ARG 100   0.528  13.550  -8.690
  772    HD2  ARG 100           2HD      ARG 100   0.334  16.409  -9.628
  773    HD3  ARG 100           1HD      ARG 100  -0.185  15.018 -10.575
  774    HE   ARG 100           HE       ARG 100  -1.476  14.840  -8.129
  775   HH11  ARG 100          1HH1      ARG 100  -1.359  17.106 -10.797
  776   HH12  ARG 100          2HH1      ARG 100  -3.017  17.612 -10.605
  777   HH21  ARG 100          1HH2      ARG 100  -3.669  15.496  -7.883
  778   HH22  ARG 100          2HH2      ARG 100  -4.327  16.683  -8.961
  779    H    ARG 101           HN       ARG 101   1.461  13.922  -4.899
  780    HA   ARG 101           HA       ARG 101   2.105  16.160  -3.281
  781    HB2  ARG 101           2HB      ARG 101   0.089  14.672  -3.026
  782    HB3  ARG 101           1HB      ARG 101   1.152  13.467  -2.309
  783    HG2  ARG 101           2HG      ARG 101   1.673  14.924  -0.482
  784    HG3  ARG 101           1HG      ARG 101   0.794  16.254  -1.237
  785    HD2  ARG 101           2HD      ARG 101  -1.278  14.890  -1.079
  786    HD3  ARG 101           1HD      ARG 101  -0.364  13.677  -0.184
  787    HE   ARG 101           HE       ARG 101   0.081  15.582   1.439
  788   HH11  ARG 101          1HH1      ARG 101  -2.851  15.326  -0.463
  789   HH12  ARG 101          2HH1      ARG 101  -3.812  16.220   0.668
  790   HH21  ARG 101          1HH2      ARG 101  -1.183  16.767   2.924
  791   HH22  ARG 101          2HH2      ARG 101  -2.868  17.065   2.573
  792    H    LEU 102           HN       LEU 102   3.495  12.921  -3.545
  793    HA   LEU 102           HA       LEU 102   5.235  13.101  -1.329
  794    HB2  LEU 102           2HB      LEU 102   4.560  11.092  -2.893
  795    HB3  LEU 102           1HB      LEU 102   5.970  11.589  -3.806
  796    HG   LEU 102           HG       LEU 102   6.404   9.728  -2.231
  797   HD11  LEU 102          1HD1      LEU 102   7.897  12.271  -1.638
  798   HD12  LEU 102          2HD1      LEU 102   8.256  11.113  -2.918
  799   HD13  LEU 102          3HD1      LEU 102   8.445  10.646  -1.229
  800   HD21  LEU 102          3HD2      LEU 102   6.524  10.198   0.170
  801   HD22  LEU 102          1HD2      LEU 102   4.884  10.352  -0.457
  802   HD23  LEU 102          2HD2      LEU 102   5.837  11.794  -0.120
  803    H    ALA 103           HN       ALA 103   5.581  13.991  -4.728
  804    HA   ALA 103           HA       ALA 103   8.282  14.697  -4.728
  805    HB1  ALA 103           1HB      ALA 103   6.056  15.944  -6.336
  806    HB2  ALA 103           2HB      ALA 103   6.946  14.486  -6.771
  807    HB3  ALA 103           3HB      ALA 103   7.779  16.040  -6.699
  808    H    ARG 104           HN       ARG 104   5.465  16.415  -3.572
  809    HA   ARG 104           HA       ARG 104   6.653  18.975  -3.376
  810    HB2  ARG 104           2HB      ARG 104   4.395  17.898  -1.687
  811    HB3  ARG 104           1HB      ARG 104   4.757  19.586  -2.028
  812    HG2  ARG 104           2HG      ARG 104   4.306  19.124  -4.435
  813    HG3  ARG 104           1HG      ARG 104   3.774  17.511  -3.969
  814    HD2  ARG 104           2HD      ARG 104   1.805  18.772  -4.124
  815    HD3  ARG 104           1HD      ARG 104   2.148  18.691  -2.396
  816    HE   ARG 104           HE       ARG 104   3.354  21.002  -3.385
  817   HH11  ARG 104          1HH1      ARG 104   0.115  19.709  -2.950
  818   HH12  ARG 104          2HH1      ARG 104  -0.621  21.274  -2.810
  819   HH21  ARG 104          1HH2      ARG 104   2.382  23.034  -3.230
  820   HH22  ARG 104          2HH2      ARG 104   0.667  23.170  -3.001
  821    H    GLU 105           HN       GLU 105   6.679  16.150  -1.310
  822    HA   GLU 105           HA       GLU 105   7.771  17.476   0.973
  823    HB2  GLU 105           2HB      GLU 105   7.760  14.553   0.204
  824    HB3  GLU 105           1HB      GLU 105   8.209  15.188   1.769
  825    HG2  GLU 105           2HG      GLU 105   5.881  16.168   1.890
  826    HG3  GLU 105           1HG      GLU 105   5.508  15.163   0.489
  827    H    ASP 106           HN       ASP 106   9.033  15.605  -1.734
  828    HA   ASP 106           HA       ASP 106  11.740  15.536  -1.014
  829    HB2  ASP 106           2HB      ASP 106  10.676  14.269  -2.898
  830    HB3  ASP 106           1HB      ASP 106  10.616  15.766  -3.813
  831    H    ALA 107           HN       ALA 107   9.875  17.879  -2.831
  832    HA   ALA 107           HA       ALA 107  11.900  19.628  -3.587
  833    HB1  ALA 107           1HB      ALA 107   9.057  20.338  -2.897
  834    HB2  ALA 107           2HB      ALA 107   9.605  19.702  -4.449
  835    HB3  ALA 107           3HB      ALA 107  10.164  21.281  -3.894
  836    H    LEU 108           HN       LEU 108  10.246  19.330  -0.504
  837    HA   LEU 108           HA       LEU 108  10.922  21.822   0.599
  838    HB2  LEU 108           2HB      LEU 108  10.395  19.154   1.897
  839    HB3  LEU 108           1HB      LEU 108  10.570  20.648   2.782
  840    HG   LEU 108           HG       LEU 108   8.466  20.224   0.694
  841   HD11  LEU 108          1HD1      LEU 108   8.257  19.930   3.685
  842   HD12  LEU 108          2HD1      LEU 108   8.129  18.630   2.497
  843   HD13  LEU 108          3HD1      LEU 108   6.904  19.900   2.553
  844   HD21  LEU 108          3HD2      LEU 108   9.030  22.550   1.126
  845   HD22  LEU 108          1HD2      LEU 108   8.796  22.296   2.854
  846   HD23  LEU 108          2HD2      LEU 108   7.426  22.171   1.752
  847    H    GLU 109           HN       GLU 109  12.684  18.802   0.384
  848    HA   GLU 109           HA       GLU 109  14.871  19.924   1.975
  849    HB2  GLU 109           2HB      GLU 109  14.541  17.073   1.088
  850    HB3  GLU 109           1HB      GLU 109  15.630  17.687   2.323
  851    HG2  GLU 109           2HG      GLU 109  13.788  18.177   3.779
  852    HG3  GLU 109           1HG      GLU 109  12.632  17.737   2.523
  853    H    HIS 110           HN       HIS 110  14.468  17.796  -0.705
  854    HA   HIS 110           HA       HIS 110  17.161  17.979  -1.545
  855    HB2  HIS 110           2HB      HIS 110  15.918  15.925  -1.796
  856    HB3  HIS 110           1HB      HIS 110  14.725  16.725  -2.806
  857    HD1  HIS 110           1HD      HIS 110  14.959  15.938  -5.100
  858    HD2  HIS 110           2HD      HIS 110  18.658  16.348  -3.245
  859    HE1  HIS 110           1HE      HIS 110  16.668  15.339  -6.853
  860    HE2  HIS 110           2HE      HIS 110  18.889  15.445  -5.660
  861    H    HIS 111           HN       HIS 111  14.355  19.753  -2.363
  862    HA   HIS 111           HA       HIS 111  15.696  20.826  -4.757
  863    HB2  HIS 111           2HB      HIS 111  13.298  19.853  -4.854
  864    HB3  HIS 111           1HB      HIS 111  12.815  21.346  -4.055
  865    HD1  HIS 111           1HD      HIS 111  12.443  23.352  -5.534
  866    HD2  HIS 111           2HD      HIS 111  14.525  20.297  -7.452
  867    HE1  HIS 111           1HE      HIS 111  12.623  24.054  -7.943
  868    HE2  HIS 111           2HE      HIS 111  13.966  22.237  -9.063
  869    H    HIS 112           HN       HIS 112  15.527  21.468  -1.610
  870    HA   HIS 112           HA       HIS 112  14.978  24.318  -1.770
  871    HB2  HIS 112           2HB      HIS 112  14.320  22.768   0.168
  872    HB3  HIS 112           1HB      HIS 112  16.015  22.828   0.633
  873    HD1  HIS 112           1HD      HIS 112  14.296  25.911  -0.660
  874    HD2  HIS 112           2HD      HIS 112  15.428  24.217   2.969
  875    HE1  HIS 112           1HE      HIS 112  14.004  27.719   1.057
  876    HE2  HIS 112           2HE      HIS 112  14.469  26.599   3.262
  877    H    HIS 113           HN       HIS 113  17.501  22.352  -2.451
  878    HA   HIS 113           HA       HIS 113  19.746  23.754  -1.488
  879    HB2  HIS 113           2HB      HIS 113  20.121  21.562  -2.312
  880    HB3  HIS 113           1HB      HIS 113  19.283  21.893  -3.820
  881    HD1  HIS 113           1HD      HIS 113  22.609  22.189  -2.158
  882    HD2  HIS 113           2HD      HIS 113  20.828  23.189  -5.780
  883    HE1  HIS 113           1HE      HIS 113  24.501  22.835  -3.695
  884    HE2  HIS 113           2HE      HIS 113  23.359  23.677  -5.785
  885    H    HIS 114           HN       HIS 114  20.331  25.778  -1.943
  886    HA   HIS 114           HA       HIS 114  19.270  27.224  -4.177
  887    HB2  HIS 114           2HB      HIS 114  21.370  27.893  -2.115
  888    HB3  HIS 114           1HB      HIS 114  20.946  28.993  -3.421
  889    HD1  HIS 114           1HD      HIS 114  19.678  27.619  -0.183
  890    HD2  HIS 114           2HD      HIS 114  18.435  30.214  -3.187
  891    HE1  HIS 114           1HE      HIS 114  17.676  28.824   0.742
  892    HE2  HIS 114           2HE      HIS 114  16.806  30.205  -1.180
  893    H    HIS 115           HN       HIS 115  20.302  27.879  -6.024
  894    HA   HIS 115           HA       HIS 115  21.620  27.697  -7.850
  895    HB2  HIS 115           2HB      HIS 115  23.377  28.548  -6.244
  896    HB3  HIS 115           1HB      HIS 115  23.855  26.874  -5.974
  897    HD1  HIS 115           1HD      HIS 115  24.024  29.642  -8.471
  898    HD2  HIS 115           2HD      HIS 115  25.289  25.691  -8.107
  899    HE1  HIS 115           1HE      HIS 115  25.657  29.270 -10.351
  900    HE2  HIS 115           2HE      HIS 115  26.473  26.904 -10.065
  Start of MODEL    9
    1    H1   MET   1           H1       MET   1 -17.563  -4.470  21.072
    2    H2   MET   1           H2       MET   1 -18.298  -5.382  19.848
    3    H3   MET   1           H3       MET   1 -18.447  -3.692  19.848
    4    HA   MET   1           HA       MET   1 -16.870  -4.311  18.202
    5    HB2  MET   1           2HB      MET   1 -16.370  -2.263  19.392
    6    HB3  MET   1           1HB      MET   1 -15.586  -3.160  20.685
    7    HG2  MET   1           2HG      MET   1 -13.963  -2.103  19.219
    8    HG3  MET   1           1HG      MET   1 -13.828  -3.859  19.167
    9    HE1  MET   1           2HE      MET   1 -12.389  -3.767  16.968
   10    HE2  MET   1           3HE      MET   1 -12.456  -2.004  16.988
   11    HE3  MET   1           1HE      MET   1 -12.864  -2.885  15.517
   12    H    GLN   2           HN       GLN   2 -16.373  -6.355  17.677
   13    HA   GLN   2           HA       GLN   2 -14.778  -7.984  19.484
   14    HB2  GLN   2           2HB      GLN   2 -16.560  -9.085  18.250
   15    HB3  GLN   2           1HB      GLN   2 -15.870  -8.556  16.724
   16    HG2  GLN   2           2HG      GLN   2 -13.840  -9.906  17.271
   17    HG3  GLN   2           1HG      GLN   2 -14.708 -10.534  18.670
   18   HE21  GLN   2          1HE2      GLN   2 -14.617 -12.635  17.910
   19   HE22  GLN   2          2HE2      GLN   2 -15.582 -13.190  16.581
   20    H    ALA   3           HN       ALA   3 -12.736  -8.747  18.987
   21    HA   ALA   3           HA       ALA   3 -11.120  -6.982  17.376
   22    HB1  ALA   3           1HB      ALA   3 -10.408  -9.410  19.012
   23    HB2  ALA   3           2HB      ALA   3 -10.201  -7.722  19.471
   24    HB3  ALA   3           3HB      ALA   3  -9.242  -8.404  18.157
   25    H    ILE   4           HN       ILE   4 -11.055  -7.227  15.293
   26    HA   ILE   4           HA       ILE   4 -12.069  -9.342  13.814
   27    HB   ILE   4           HB       ILE   4  -9.958  -7.360  12.959
   28   HG12  ILE   4          2HG1      ILE   4 -11.914  -6.220  13.838
   29   HG13  ILE   4          1HG1      ILE   4 -11.874  -6.059  12.087
   30   HG21  ILE   4          1HG2      ILE   4 -10.774  -7.755  10.689
   31   HG22  ILE   4          2HG2      ILE   4 -11.885  -8.980  11.297
   32   HG23  ILE   4          3HG2      ILE   4 -10.143  -9.234  11.409
   33   HD11  ILE   4          3HD1      ILE   4 -13.590  -7.972  13.646
   34   HD12  ILE   4          1HD1      ILE   4 -13.550  -7.824  11.888
   35   HD13  ILE   4          2HD1      ILE   4 -14.124  -6.480  12.876
   36    H    THR   5           HN       THR   5  -8.834  -8.797  15.031
   37    HA   THR   5           HA       THR   5  -7.401 -10.653  13.552
   38    HB   THR   5           HB       THR   5  -6.050 -10.779  15.828
   39    HG1  THR   5           1HG      THR   5  -6.845  -9.540  17.351
   40   HG21  THR   5          3HG2      THR   5  -4.924  -8.697  15.219
   41   HG22  THR   5          1HG2      THR   5  -6.294  -8.236  14.207
   42   HG23  THR   5          2HG2      THR   5  -5.311  -9.637  13.778
   43    H    GLU   6           HN       GLU   6  -9.337 -11.118  16.489
   44    HA   GLU   6           HA       GLU   6  -8.370 -13.616  17.238
   45    HB2  GLU   6           2HB      GLU   6 -11.175 -12.557  17.606
   46    HB3  GLU   6           1HB      GLU   6 -10.433 -13.863  18.518
   47    HG2  GLU   6           2HG      GLU   6  -8.746 -12.249  19.343
   48    HG3  GLU   6           1HG      GLU   6  -9.643 -10.967  18.533
   49    H    ARG   7           HN       ARG   7 -11.208 -12.858  15.215
   50    HA   ARG   7           HA       ARG   7 -11.807 -15.633  14.876
   51    HB2  ARG   7           2HB      ARG   7 -13.580 -14.919  13.377
   52    HB3  ARG   7           1HB      ARG   7 -13.599 -13.986  14.863
   53    HG2  ARG   7           2HG      ARG   7 -12.418 -12.159  13.635
   54    HG3  ARG   7           1HG      ARG   7 -12.657 -13.093  12.153
   55    HD2  ARG   7           2HD      ARG   7 -15.116 -13.129  12.740
   56    HD3  ARG   7           1HD      ARG   7 -14.750 -11.934  13.979
   57    HE   ARG   7           HE       ARG   7 -13.956 -11.307  11.242
   58   HH11  ARG   7          1HH1      ARG   7 -16.172 -10.786  13.912
   59   HH12  ARG   7          2HH1      ARG   7 -16.955  -9.434  13.157
   60   HH21  ARG   7          1HH2      ARG   7 -14.978  -9.529  10.256
   61   HH22  ARG   7          2HH2      ARG   7 -16.281  -8.708  11.082
   62    H    LEU   8           HN       LEU   8 -10.075 -13.217  13.004
   63    HA   LEU   8           HA       LEU   8  -9.765 -14.784  10.673
   64    HB2  LEU   8           2HB      LEU   8  -8.407 -12.415  11.836
   65    HB3  LEU   8           1HB      LEU   8  -7.564 -13.296  10.577
   66    HG   LEU   8           HG       LEU   8  -8.846 -11.362   9.723
   67   HD11  LEU   8          1HD1      LEU   8  -9.904 -12.525   7.864
   68   HD12  LEU   8          2HD1      LEU   8  -9.873 -14.034   8.776
   69   HD13  LEU   8          3HD1      LEU   8  -8.361 -13.278   8.276
   70   HD21  LEU   8          3HD2      LEU   8 -11.283 -11.481   9.605
   71   HD22  LEU   8          1HD2      LEU   8 -10.720 -11.409  11.274
   72   HD23  LEU   8          2HD2      LEU   8 -11.260 -12.943  10.591
   73    H    GLU   9           HN       GLU   9  -7.724 -14.411  13.562
   74    HA   GLU   9           HA       GLU   9  -5.700 -16.209  12.749
   75    HB2  GLU   9           2HB      GLU   9  -6.605 -15.422  15.525
   76    HB3  GLU   9           1HB      GLU   9  -5.141 -16.327  15.175
   77    HG2  GLU   9           2HG      GLU   9  -4.237 -14.446  13.948
   78    HG3  GLU   9           1HG      GLU   9  -5.732 -13.542  14.195
   79    H    ALA  10           HN       ALA  10  -8.806 -16.653  14.287
   80    HA   ALA  10           HA       ALA  10  -8.406 -19.313  15.164
   81    HB1  ALA  10           1HB      ALA  10 -10.173 -17.868  16.054
   82    HB2  ALA  10           2HB      ALA  10 -10.818 -19.393  15.450
   83    HB3  ALA  10           3HB      ALA  10 -10.994 -17.921  14.495
   84    H    MET  11           HN       MET  11  -9.996 -17.995  12.250
   85    HA   MET  11           HA       MET  11 -10.583 -20.564  11.184
   86    HB2  MET  11           2HB      MET  11 -11.240 -19.364   9.171
   87    HB3  MET  11           1HB      MET  11 -11.902 -18.590  10.598
   88    HG2  MET  11           2HG      MET  11 -10.093 -16.918  10.483
   89    HG3  MET  11           1HG      MET  11  -9.526 -17.674   8.993
   90    HE1  MET  11           3HE      MET  11 -12.310 -18.477   7.629
   91    HE2  MET  11           1HE      MET  11 -10.968 -17.753   6.741
   92    HE3  MET  11           2HE      MET  11 -12.591 -17.071   6.601
   93    H    LEU  12           HN       LEU  12  -7.861 -18.442  11.036
   94    HA   LEU  12           HA       LEU  12  -6.494 -19.437   8.808
   95    HB2  LEU  12           2HB      LEU  12  -5.844 -17.432  10.077
   96    HB3  LEU  12           1HB      LEU  12  -5.398 -18.434  11.439
   97    HG   LEU  12           HG       LEU  12  -3.630 -19.486  10.031
   98   HD11  LEU  12          1HD1      LEU  12  -2.968 -18.380   7.961
   99   HD12  LEU  12          2HD1      LEU  12  -4.368 -17.314   8.077
  100   HD13  LEU  12          3HD1      LEU  12  -4.596 -19.047   7.840
  101   HD21  LEU  12          3HD2      LEU  12  -2.120 -17.544  10.104
  102   HD22  LEU  12          1HD2      LEU  12  -3.080 -17.707  11.576
  103   HD23  LEU  12          2HD2      LEU  12  -3.509 -16.492  10.371
  104    H    ALA  13           HN       ALA  13  -6.776 -20.614  12.084
  105    HA   ALA  13           HA       ALA  13  -4.584 -22.320  12.196
  106    HB1  ALA  13           1HB      ALA  13  -5.661 -23.350  14.096
  107    HB2  ALA  13           2HB      ALA  13  -7.214 -22.657  13.624
  108    HB3  ALA  13           3HB      ALA  13  -5.898 -21.603  14.141
  109    H    GLN  14           HN       GLN  14  -7.803 -22.934  10.851
  110    HA   GLN  14           HA       GLN  14  -7.212 -25.765  10.598
  111    HB2  GLN  14           2HB      GLN  14  -9.634 -24.207   9.685
  112    HB3  GLN  14           1HB      GLN  14  -9.475 -25.959   9.666
  113    HG2  GLN  14           2HG      GLN  14 -10.675 -25.597  11.583
  114    HG3  GLN  14           1HG      GLN  14  -9.030 -25.701  12.200
  115   HE21  GLN  14          1HE2      GLN  14  -9.281 -24.469  13.988
  116   HE22  GLN  14          2HE2      GLN  14  -9.663 -22.777  13.941
  117    H    GLY  15           HN       GLY  15  -5.944 -23.398   8.983
  118    HA2  GLY  15           2HA      GLY  15  -4.653 -23.767   7.044
  119    HA3  GLY  15           1HA      GLY  15  -5.773 -25.034   6.566
  120    H    THR  16           HN       THR  16  -6.310 -21.618   7.413
  121    HA   THR  16           HA       THR  16  -7.356 -21.239   4.684
  122    HB   THR  16           HB       THR  16  -8.009 -19.464   7.046
  123    HG1  THR  16           1HG      THR  16  -9.089 -21.178   7.727
  124   HG21  THR  16          3HG2      THR  16  -9.382 -19.925   4.389
  125   HG22  THR  16          1HG2      THR  16  -8.397 -18.526   4.815
  126   HG23  THR  16          2HG2      THR  16  -9.920 -18.817   5.654
  127    H    ASP  17           HN       ASP  17  -5.154 -20.938   4.010
  128    HA   ASP  17           HA       ASP  17  -3.859 -18.511   5.071
  129    HB2  ASP  17           2HB      ASP  17  -2.648 -20.626   5.521
  130    HB3  ASP  17           1HB      ASP  17  -2.577 -20.941   3.792
  131    H    ASN  18           HN       ASN  18  -4.369 -16.910   3.683
  132    HA   ASN  18           HA       ASN  18  -3.369 -17.169   0.972
  133    HB2  ASN  18           2HB      ASN  18  -5.415 -16.295  -0.074
  134    HB3  ASN  18           1HB      ASN  18  -5.699 -17.847   0.700
  135   HD21  ASN  18          1HD2      ASN  18  -7.862 -17.595   0.949
  136   HD22  ASN  18          2HD2      ASN  18  -8.586 -16.447   2.028
  137    H    MET  19           HN       MET  19  -3.733 -14.938  -0.188
  138    HA   MET  19           HA       MET  19  -2.341 -13.049   1.468
  139    HB2  MET  19           2HB      MET  19  -2.059 -11.758  -0.530
  140    HB3  MET  19           1HB      MET  19  -1.819 -13.447  -0.948
  141    HG2  MET  19           2HG      MET  19  -4.305 -11.825  -1.463
  142    HG3  MET  19           1HG      MET  19  -3.095 -12.285  -2.658
  143    HE1  MET  19           3HE      MET  19  -5.054 -13.259  -4.212
  144    HE2  MET  19           1HE      MET  19  -6.223 -12.767  -2.984
  145    HE3  MET  19           2HE      MET  19  -6.260 -14.406  -3.628
  146    H    LEU  20           HN       LEU  20  -5.596 -13.620   0.635
  147    HA   LEU  20           HA       LEU  20  -6.603 -10.988   0.590
  148    HB2  LEU  20           2HB      LEU  20  -7.663 -13.262  -0.131
  149    HB3  LEU  20           1HB      LEU  20  -8.211 -13.341   1.530
  150    HG   LEU  20           HG       LEU  20  -8.866 -11.059  -0.338
  151   HD11  LEU  20          1HD1      LEU  20  -9.790 -13.147  -1.196
  152   HD12  LEU  20          2HD1      LEU  20 -11.064 -12.099  -0.572
  153   HD13  LEU  20          3HD1      LEU  20 -10.516 -13.481   0.377
  154   HD21  LEU  20          3HD2      LEU  20  -9.013 -10.513   2.048
  155   HD22  LEU  20          1HD2      LEU  20 -10.079 -11.896   2.298
  156   HD23  LEU  20          2HD2      LEU  20 -10.606 -10.545   1.293
  157    H    LEU  21           HN       LEU  21  -6.707 -13.434   3.206
  158    HA   LEU  21           HA       LEU  21  -7.702 -11.505   5.064
  159    HB2  LEU  21           2HB      LEU  21  -7.283 -13.326   6.764
  160    HB3  LEU  21           1HB      LEU  21  -8.424 -13.678   5.487
  161    HG   LEU  21           HG       LEU  21  -6.443 -14.863   4.326
  162   HD11  LEU  21          1HD1      LEU  21  -5.429 -14.779   7.167
  163   HD12  LEU  21          2HD1      LEU  21  -4.659 -14.046   5.759
  164   HD13  LEU  21          3HD1      LEU  21  -4.788 -15.800   5.877
  165   HD21  LEU  21          3HD2      LEU  21  -6.943 -16.915   5.551
  166   HD22  LEU  21          1HD2      LEU  21  -8.401 -15.981   5.221
  167   HD23  LEU  21          2HD2      LEU  21  -7.690 -15.966   6.835
  168    H    ARG  22           HN       ARG  22  -4.529 -12.482   4.094
  169    HA   ARG  22           HA       ARG  22  -3.174 -11.440   6.372
  170    HB2  ARG  22           2HB      ARG  22  -2.240 -11.893   3.534
  171    HB3  ARG  22           1HB      ARG  22  -1.183 -11.325   4.819
  172    HG2  ARG  22           2HG      ARG  22  -1.727 -13.408   6.083
  173    HG3  ARG  22           1HG      ARG  22  -2.608 -13.971   4.661
  174    HD2  ARG  22           2HD      ARG  22  -0.535 -13.751   3.334
  175    HD3  ARG  22           1HD      ARG  22   0.326 -13.276   4.794
  176    HE   ARG  22           HE       ARG  22  -1.032 -15.865   4.782
  177   HH11  ARG  22          1HH1      ARG  22   1.965 -14.045   4.734
  178   HH12  ARG  22          2HH1      ARG  22   2.956 -15.438   5.040
  179   HH21  ARG  22          1HH2      ARG  22   0.289 -17.703   5.166
  180   HH22  ARG  22          2HH2      ARG  22   2.020 -17.496   5.265
  181    H    PHE  23           HN       PHE  23  -4.294 -10.090   3.326
  182    HA   PHE  23           HA       PHE  23  -3.030  -7.569   3.618
  183    HB2  PHE  23           2HB      PHE  23  -3.784  -8.337   1.428
  184    HB3  PHE  23           1HB      PHE  23  -5.457  -8.337   1.979
  185    HD1  PHE  23           2HD      PHE  23  -2.554  -6.155   1.286
  186    HD2  PHE  23           1HD      PHE  23  -6.752  -6.378   1.927
  187    HE1  PHE  23           2HE      PHE  23  -2.783  -3.808   0.589
  188    HE2  PHE  23           1HE      PHE  23  -6.988  -4.031   1.236
  189    HZ   PHE  23           HZ       PHE  23  -5.000  -2.741   0.563
  190    H    THR  24           HN       THR  24  -6.322  -8.717   4.377
  191    HA   THR  24           HA       THR  24  -7.335  -6.207   5.104
  192    HB   THR  24           HB       THR  24  -8.802  -8.135   4.667
  193    HG1  THR  24           1HG      THR  24  -9.044  -6.865   7.206
  194   HG21  THR  24          3HG2      THR  24  -9.201  -9.800   6.432
  195   HG22  THR  24          1HG2      THR  24  -7.859  -9.125   7.360
  196   HG23  THR  24          2HG2      THR  24  -7.558  -9.893   5.801
  197    H    LEU  25           HN       LEU  25  -5.529  -8.590   6.973
  198    HA   LEU  25           HA       LEU  25  -5.808  -7.225   9.455
  199    HB2  LEU  25           2HB      LEU  25  -3.705  -9.178   8.514
  200    HB3  LEU  25           1HB      LEU  25  -3.861  -8.603  10.163
  201    HG   LEU  25           HG       LEU  25  -5.917 -10.237   8.668
  202   HD11  LEU  25          1HD1      LEU  25  -4.042 -10.968  10.911
  203   HD12  LEU  25          2HD1      LEU  25  -3.963 -11.548   9.247
  204   HD13  LEU  25          3HD1      LEU  25  -5.326 -11.994  10.276
  205   HD21  LEU  25          3HD2      LEU  25  -5.882  -9.291  11.535
  206   HD22  LEU  25          1HD2      LEU  25  -7.082 -10.357  10.806
  207   HD23  LEU  25          2HD2      LEU  25  -6.941  -8.686  10.260
  208    H    GLY  26           HN       GLY  26  -3.310  -7.280   6.940
  209    HA2  GLY  26           2HA      GLY  26  -1.489  -5.538   8.184
  210    HA3  GLY  26           1HA      GLY  26  -1.592  -5.842   6.458
  211    H    LYS  27           HN       LYS  27  -4.144  -4.874   5.935
  212    HA   LYS  27           HA       LYS  27  -3.734  -2.127   5.622
  213    HB2  LYS  27           2HB      LYS  27  -5.274  -3.263   4.187
  214    HB3  LYS  27           1HB      LYS  27  -6.252  -3.794   5.547
  215    HG2  LYS  27           2HG      LYS  27  -6.952  -1.507   5.962
  216    HG3  LYS  27           1HG      LYS  27  -5.921  -0.937   4.650
  217    HD2  LYS  27           2HD      LYS  27  -7.227  -2.127   3.028
  218    HD3  LYS  27           1HD      LYS  27  -8.172  -2.906   4.295
  219    HE2  LYS  27           2HE      LYS  27  -8.097   0.063   3.792
  220    HE3  LYS  27           1HE      LYS  27  -9.349  -1.020   3.190
  221    HZ1  LYS  27           3HZ      LYS  27 -10.045   0.085   5.212
  222    HZ2  LYS  27           1HZ      LYS  27  -8.712  -0.533   6.058
  223    HZ3  LYS  27           2HZ      LYS  27  -9.909  -1.579   5.477
  224    H    THR  28           HN       THR  28  -5.425  -3.930   8.130
  225    HA   THR  28           HA       THR  28  -6.554  -1.704   9.444
  226    HB   THR  28           HB       THR  28  -5.786  -4.358  10.673
  227    HG1  THR  28           1HG      THR  28  -7.148  -4.894   9.033
  228   HG21  THR  28          3HG2      THR  28  -6.379  -2.641  12.314
  229   HG22  THR  28          1HG2      THR  28  -7.619  -3.894  12.233
  230   HG23  THR  28          2HG2      THR  28  -7.887  -2.333  11.454
  231    H    TYR  29           HN       TYR  29  -3.431  -3.330   9.718
  232    HA   TYR  29           HA       TYR  29  -2.509  -1.850  11.959
  233    HB2  TYR  29           2HB      TYR  29  -0.846  -3.067   9.743
  234    HB3  TYR  29           1HB      TYR  29  -0.276  -2.596  11.337
  235    HD1  TYR  29           2HD      TYR  29  -2.422  -3.738  13.059
  236    HD2  TYR  29           1HD      TYR  29  -0.447  -5.345   9.647
  237    HE1  TYR  29           2HE      TYR  29  -2.880  -6.017  13.868
  238    HE2  TYR  29           1HE      TYR  29  -0.895  -7.619  10.451
  239    HH   TYR  29           HH       TYR  29  -3.061  -8.283  12.988
  240    H    ALA  30           HN       ALA  30  -2.321  -1.407   8.469
  241    HA   ALA  30           HA       ALA  30  -0.613   0.828   8.453
  242    HB1  ALA  30           1HB      ALA  30  -1.082  -0.493   6.454
  243    HB2  ALA  30           2HB      ALA  30  -1.435   1.214   6.179
  244    HB3  ALA  30           3HB      ALA  30  -2.751   0.073   6.458
  245    H    GLU  31           HN       GLU  31  -4.127   0.552   8.689
  246    HA   GLU  31           HA       GLU  31  -4.691   3.315   8.545
  247    HB2  GLU  31           2HB      GLU  31  -6.239   1.049   9.807
  248    HB3  GLU  31           1HB      GLU  31  -6.863   2.684   9.631
  249    HG2  GLU  31           2HG      GLU  31  -6.645   2.511   7.208
  250    HG3  GLU  31           1HG      GLU  31  -6.013   0.875   7.381
  251    H    HIS  32           HN       HIS  32  -3.476   1.329  11.105
  252    HA   HIS  32           HA       HIS  32  -3.908   3.475  13.049
  253    HB2  HIS  32           2HB      HIS  32  -3.238   0.567  13.317
  254    HB3  HIS  32           1HB      HIS  32  -2.919   1.681  14.637
  255    HD1  HIS  32           1HD      HIS  32  -4.912   2.518  15.993
  256    HD2  HIS  32           2HD      HIS  32  -5.988   0.165  12.737
  257    HE1  HIS  32           1HE      HIS  32  -7.347   1.977  16.321
  258    HE2  HIS  32           2HE      HIS  32  -7.953   0.446  14.410
  259    H    GLU  33           HN       GLU  33  -1.849   3.117  10.771
  260    HA   GLU  33           HA       GLU  33   0.214   3.906  10.317
  261    HB2  GLU  33           2HB      GLU  33  -0.577   5.738  11.895
  262    HB3  GLU  33           1HB      GLU  33   0.364   4.938  13.146
  263    HG2  GLU  33           2HG      GLU  33   2.393   5.254  11.861
  264    HG3  GLU  33           1HG      GLU  33   1.472   5.987  10.550
  265    H    GLN  34           HN       GLN  34  -0.233   1.253  11.694
  266    HA   GLN  34           HA       GLN  34   2.346   0.761  12.957
  267    HB2  GLN  34           2HB      GLN  34   0.134  -1.178  12.229
  268    HB3  GLN  34           1HB      GLN  34   1.523  -1.531  13.245
  269    HG2  GLN  34           2HG      GLN  34   0.738   0.035  14.919
  270    HG3  GLN  34           1HG      GLN  34  -0.624   0.481  13.893
  271   HE21  GLN  34          1HE2      GLN  34   0.715  -1.881  16.016
  272   HE22  GLN  34          2HE2      GLN  34  -0.699  -2.878  16.155
  273    H    PHE  35           HN       PHE  35   2.789   1.735  10.518
  274    HA   PHE  35           HA       PHE  35   2.596   0.035   8.306
  275    HB2  PHE  35           2HB      PHE  35   4.462   2.352   8.824
  276    HB3  PHE  35           1HB      PHE  35   4.283   1.559   7.264
  277    HD1  PHE  35           2HD      PHE  35   1.888   1.474   6.287
  278    HD2  PHE  35           1HD      PHE  35   3.114   4.150   9.361
  279    HE1  PHE  35           2HE      PHE  35   0.012   2.963   5.731
  280    HE2  PHE  35           1HE      PHE  35   1.236   5.643   8.810
  281    HZ   PHE  35           HZ       PHE  35  -0.314   5.050   6.994
  282    H    ASP  36           HN       ASP  36   5.085   0.275  10.760
  283    HA   ASP  36           HA       ASP  36   7.184  -0.975   9.378
  284    HB2  ASP  36           2HB      ASP  36   7.308   0.184  11.637
  285    HB3  ASP  36           1HB      ASP  36   6.658  -1.295  12.333
  286    H    ALA  37           HN       ALA  37   4.578  -2.295  11.332
  287    HA   ALA  37           HA       ALA  37   5.399  -5.023  11.041
  288    HB1  ALA  37           1HB      ALA  37   4.089  -4.255  12.967
  289    HB2  ALA  37           2HB      ALA  37   3.285  -5.571  12.111
  290    HB3  ALA  37           3HB      ALA  37   2.729  -3.909  11.897
  291    H    ALA  38           HN       ALA  38   3.175  -2.873   9.395
  292    HA   ALA  38           HA       ALA  38   1.813  -4.895   7.928
  293    HB1  ALA  38           1HB      ALA  38   0.822  -3.060   6.682
  294    HB2  ALA  38           2HB      ALA  38   1.991  -1.937   7.376
  295    HB3  ALA  38           3HB      ALA  38   0.801  -2.723   8.412
  296    H    LEU  39           HN       LEU  39   4.612  -2.862   7.252
  297    HA   LEU  39           HA       LEU  39   4.682  -2.919   4.511
  298    HB2  LEU  39           2HB      LEU  39   6.206  -1.770   6.297
  299    HB3  LEU  39           1HB      LEU  39   7.226  -3.174   6.063
  300    HG   LEU  39           HG       LEU  39   6.371  -1.370   3.810
  301   HD11  LEU  39          1HD1      LEU  39   8.900  -1.291   5.446
  302   HD12  LEU  39          2HD1      LEU  39   7.632  -0.065   5.424
  303   HD13  LEU  39          3HD1      LEU  39   8.600  -0.361   3.978
  304   HD21  LEU  39          3HD2      LEU  39   8.596  -3.395   4.035
  305   HD22  LEU  39          1HD2      LEU  39   8.263  -2.376   2.636
  306   HD23  LEU  39          2HD2      LEU  39   7.097  -3.603   3.130
  307    HA   PRO  40           HA       PRO  40   7.279  -6.957   4.372
  308    HB2  PRO  40           2HB      PRO  40   7.384  -8.550   6.562
  309    HB3  PRO  40           1HB      PRO  40   8.564  -7.268   6.249
  310    HG2  PRO  40           2HG      PRO  40   6.168  -7.248   8.049
  311    HG3  PRO  40           1HG      PRO  40   7.798  -6.614   8.348
  312    HD2  PRO  40           2HD      PRO  40   5.715  -5.038   7.636
  313    HD3  PRO  40           1HD      PRO  40   7.392  -4.677   7.179
  314    H    HIS  41           HN       HIS  41   4.406  -6.932   6.392
  315    HA   HIS  41           HA       HIS  41   3.565  -9.578   5.734
  316    HB2  HIS  41           2HB      HIS  41   2.909  -8.080   7.763
  317    HB3  HIS  41           1HB      HIS  41   1.699  -7.414   6.673
  318    HD1  HIS  41           1HD      HIS  41   2.757 -10.745   8.131
  319    HD2  HIS  41           2HD      HIS  41  -0.601  -8.874   6.546
  320    HE1  HIS  41           1HE      HIS  41   0.852 -12.348   8.492
  321    HE2  HIS  41           2HE      HIS  41  -1.191 -11.079   7.762
  322    H    LEU  42           HN       LEU  42   2.789  -6.344   4.547
  323    HA   LEU  42           HA       LEU  42   0.845  -7.230   2.652
  324    HB2  LEU  42           2HB      LEU  42   2.422  -4.656   2.762
  325    HB3  LEU  42           1HB      LEU  42   1.059  -4.958   1.703
  326    HG   LEU  42           HG       LEU  42   0.966  -4.846   4.717
  327   HD11  LEU  42          1HD1      LEU  42  -0.084  -2.966   2.610
  328   HD12  LEU  42          2HD1      LEU  42   1.268  -2.664   3.699
  329   HD13  LEU  42          3HD1      LEU  42  -0.365  -2.822   4.346
  330   HD21  LEU  42          3HD2      LEU  42  -0.636  -6.461   3.843
  331   HD22  LEU  42          1HD2      LEU  42  -1.252  -5.256   2.714
  332   HD23  LEU  42          2HD2      LEU  42  -1.461  -5.025   4.450
  333    H    ARG  43           HN       ARG  43   4.304  -6.490   2.488
  334    HA   ARG  43           HA       ARG  43   4.628  -6.683  -0.281
  335    HB2  ARG  43           2HB      ARG  43   6.401  -5.852   1.213
  336    HB3  ARG  43           1HB      ARG  43   6.603  -7.470   1.872
  337    HG2  ARG  43           2HG      ARG  43   7.248  -8.270  -0.368
  338    HG3  ARG  43           1HG      ARG  43   7.143  -6.615  -0.966
  339    HD2  ARG  43           2HD      ARG  43   8.870  -5.954   0.663
  340    HD3  ARG  43           1HD      ARG  43   8.993  -7.637   1.181
  341    HE   ARG  43           HE       ARG  43   9.352  -7.381  -1.635
  342   HH11  ARG  43          1HH1      ARG  43  11.003  -7.006   1.441
  343   HH12  ARG  43          2HH1      ARG  43  12.587  -7.207   0.752
  344   HH21  ARG  43          1HH2      ARG  43  11.416  -7.653  -2.526
  345   HH22  ARG  43          2HH2      ARG  43  12.818  -7.565  -1.508
  346    H    ALA  44           HN       ALA  44   4.764  -9.179   2.223
  347    HA   ALA  44           HA       ALA  44   5.456 -11.332   0.573
  348    HB1  ALA  44           1HB      ALA  44   4.664 -12.765   2.360
  349    HB2  ALA  44           2HB      ALA  44   3.797 -11.415   3.091
  350    HB3  ALA  44           3HB      ALA  44   5.558 -11.399   3.024
  351    H    ALA  45           HN       ALA  45   2.341  -9.895   1.330
  352    HA   ALA  45           HA       ALA  45   0.692 -11.893   0.229
  353    HB1  ALA  45           1HB      ALA  45  -1.044 -10.166   0.192
  354    HB2  ALA  45           2HB      ALA  45   0.177  -8.937   0.513
  355    HB3  ALA  45           3HB      ALA  45  -0.164 -10.175   1.720
  356    H    LEU  46           HN       LEU  46   2.222  -9.043  -1.198
  357    HA   LEU  46           HA       LEU  46   1.016  -9.324  -3.751
  358    HB2  LEU  46           2HB      LEU  46   3.467  -7.877  -2.782
  359    HB3  LEU  46           1HB      LEU  46   3.025  -7.900  -4.479
  360    HG   LEU  46           HG       LEU  46   1.298  -6.812  -2.253
  361   HD11  LEU  46          1HD1      LEU  46   1.795  -4.629  -3.250
  362   HD12  LEU  46          2HD1      LEU  46   2.905  -5.400  -4.380
  363   HD13  LEU  46          3HD1      LEU  46   3.254  -5.415  -2.652
  364   HD21  LEU  46          3HD2      LEU  46   0.946  -6.823  -5.248
  365   HD22  LEU  46          1HD2      LEU  46  -0.083  -5.966  -4.103
  366   HD23  LEU  46          2HD2      LEU  46  -0.014  -7.728  -4.079
  367    H    ASP  47           HN       ASP  47   3.778 -10.777  -2.237
  368    HA   ASP  47           HA       ASP  47   4.921 -11.869  -4.606
  369    HB2  ASP  47           2HB      ASP  47   6.120 -11.611  -2.425
  370    HB3  ASP  47           1HB      ASP  47   5.143 -12.921  -1.780
  371    H    PHE  48           HN       PHE  48   2.530 -12.927  -2.270
  372    HA   PHE  48           HA       PHE  48   2.243 -15.573  -3.292
  373    HB2  PHE  48           2HB      PHE  48   0.421 -13.873  -1.589
  374    HB3  PHE  48           1HB      PHE  48   0.050 -15.534  -2.034
  375    HD1  PHE  48           1HD      PHE  48   2.316 -17.094  -1.634
  376    HD2  PHE  48           2HD      PHE  48   1.117 -13.655   0.561
  377    HE1  PHE  48           1HE      PHE  48   3.569 -17.909   0.319
  378    HE2  PHE  48           2HE      PHE  48   2.371 -14.461   2.517
  379    HZ   PHE  48           HZ       PHE  48   3.599 -16.590   2.398
  380    H    ASP  49           HN       ASP  49   0.466 -12.547  -3.842
  381    HA   ASP  49           HA       ASP  49  -0.558 -13.632  -6.337
  382    HB2  ASP  49           2HB      ASP  49  -2.208 -14.196  -4.467
  383    HB3  ASP  49           1HB      ASP  49  -2.519 -12.465  -4.371
  384    HA   PRO  50           HA       PRO  50   0.883  -9.300  -6.684
  385    HB2  PRO  50           2HB      PRO  50   1.144 -10.091  -9.514
  386    HB3  PRO  50           1HB      PRO  50   2.350  -9.409  -8.419
  387    HG2  PRO  50           2HG      PRO  50   2.449 -11.969  -9.183
  388    HG3  PRO  50           1HG      PRO  50   2.914 -11.470  -7.546
  389    HD2  PRO  50           2HD      PRO  50   0.369 -12.740  -8.487
  390    HD3  PRO  50           1HD      PRO  50   1.318 -13.072  -7.023
  391    H    THR  51           HN       THR  51  -1.830 -10.883  -7.907
  392    HA   THR  51           HA       THR  51  -2.740  -8.764  -9.647
  393    HB   THR  51           HB       THR  51  -4.916 -10.420  -9.076
  394    HG1  THR  51           1HG      THR  51  -3.647 -11.958  -8.057
  395   HG21  THR  51          3HG2      THR  51  -2.893 -10.577 -11.309
  396   HG22  THR  51          1HG2      THR  51  -4.322  -9.546 -11.271
  397   HG23  THR  51          2HG2      THR  51  -4.501 -11.299 -11.333
  398    H    TYR  52           HN       TYR  52  -2.457  -8.809  -6.439
  399    HA   TYR  52           HA       TYR  52  -5.084  -7.829  -5.728
  400    HB2  TYR  52           2HB      TYR  52  -3.191  -9.076  -4.268
  401    HB3  TYR  52           1HB      TYR  52  -2.788  -7.407  -3.889
  402    HD1  TYR  52           1HD      TYR  52  -4.713  -5.916  -3.020
  403    HD2  TYR  52           2HD      TYR  52  -4.902 -10.161  -3.118
  404    HE1  TYR  52           1HE      TYR  52  -6.510  -5.866  -1.347
  405    HE2  TYR  52           2HE      TYR  52  -6.700 -10.126  -1.442
  406    HH   TYR  52           HH       TYR  52  -7.556  -8.646   0.307
  407    H    SER  53           HN       SER  53  -5.215  -6.093  -7.211
  408    HA   SER  53           HA       SER  53  -3.403  -4.067  -7.635
  409    HB2  SER  53           2HB      SER  53  -6.379  -3.613  -7.640
  410    HB3  SER  53           1HB      SER  53  -5.157  -2.919  -8.711
  411    HG   SER  53           HG       SER  53  -5.565  -4.534  -9.985
  412    H    VAL  54           HN       VAL  54  -5.854  -4.309  -5.111
  413    HA   VAL  54           HA       VAL  54  -5.701  -1.671  -4.156
  414    HB   VAL  54           HB       VAL  54  -6.322  -4.134  -2.518
  415   HG11  VAL  54          1HG1      VAL  54  -7.136  -1.249  -2.178
  416   HG12  VAL  54          2HG1      VAL  54  -6.000  -2.148  -1.173
  417   HG13  VAL  54          3HG1      VAL  54  -7.705  -2.596  -1.190
  418   HG21  VAL  54          3HG2      VAL  54  -8.671  -3.760  -3.122
  419   HG22  VAL  54          1HG2      VAL  54  -7.683  -4.137  -4.532
  420   HG23  VAL  54          2HG2      VAL  54  -8.180  -2.472  -4.222
  421    H    ALA  55           HN       ALA  55  -3.759  -4.520  -3.541
  422    HA   ALA  55           HA       ALA  55  -2.466  -3.550  -1.210
  423    HB1  ALA  55           1HB      ALA  55  -1.614  -5.710  -3.126
  424    HB2  ALA  55           2HB      ALA  55  -2.605  -5.924  -1.683
  425    HB3  ALA  55           3HB      ALA  55  -0.922  -5.416  -1.531
  426    H    TRP  56           HN       TRP  56  -1.821  -3.235  -4.652
  427    HA   TRP  56           HA       TRP  56   0.854  -2.368  -4.530
  428    HB2  TRP  56           2HB      TRP  56  -1.234  -1.286  -6.432
  429    HB3  TRP  56           1HB      TRP  56   0.501  -1.345  -6.687
  430    HD1  TRP  56           1HD      TRP  56   0.472  -4.601  -5.670
  431    HE1  TRP  56           1HE      TRP  56  -0.206  -6.305  -7.479
  432    HE3  TRP  56           3HE      TRP  56  -1.876  -1.438  -8.932
  433    HZ2  TRP  56           2HZ      TRP  56  -1.546  -6.303  -9.961
  434    HZ3  TRP  56           3HZ      TRP  56  -2.824  -2.371 -11.002
  435    HH2  TRP  56           2HH      TRP  56  -2.661  -4.752 -11.504
  436    H    LYS  57           HN       LYS  57  -2.191  -0.657  -4.354
  437    HA   LYS  57           HA       LYS  57  -1.163   1.958  -4.255
  438    HB2  LYS  57           2HB      LYS  57  -3.421   1.477  -4.974
  439    HB3  LYS  57           1HB      LYS  57  -3.821   0.806  -3.411
  440    HG2  LYS  57           2HG      LYS  57  -3.589   3.011  -2.395
  441    HG3  LYS  57           1HG      LYS  57  -3.164   3.685  -3.973
  442    HD2  LYS  57           2HD      LYS  57  -5.346   2.938  -4.848
  443    HD3  LYS  57           1HD      LYS  57  -5.768   2.346  -3.242
  444    HE2  LYS  57           2HE      LYS  57  -5.597   4.602  -2.350
  445    HE3  LYS  57           1HE      LYS  57  -5.123   5.207  -3.938
  446    HZ1  LYS  57           3HZ      LYS  57  -7.459   5.605  -3.540
  447    HZ2  LYS  57           1HZ      LYS  57  -7.728   3.956  -3.251
  448    HZ3  LYS  57           2HZ      LYS  57  -7.278   4.481  -4.801
  449    H    TRP  58           HN       TRP  58  -2.182  -0.290  -1.698
  450    HA   TRP  58           HA       TRP  58  -1.654   1.577   0.405
  451    HB2  TRP  58           2HB      TRP  58  -2.330  -1.342   0.318
  452    HB3  TRP  58           1HB      TRP  58  -1.816  -0.596   1.828
  453    HD1  TRP  58           1HD      TRP  58  -4.699  -0.579  -0.693
  454    HE1  TRP  58           1HE      TRP  58  -6.752   0.535   0.404
  455    HE3  TRP  58           3HE      TRP  58  -2.510   1.068   3.622
  456    HZ2  TRP  58           2HZ      TRP  58  -7.349   1.928   2.783
  457    HZ3  TRP  58           3HZ      TRP  58  -3.892   2.281   5.257
  458    HH2  TRP  58           2HH      TRP  58  -6.260   2.702   4.845
  459    H    LEU  59           HN       LEU  59   0.228  -0.827  -1.272
  460    HA   LEU  59           HA       LEU  59   2.246  -1.283   0.610
  461    HB2  LEU  59           2HB      LEU  59   1.781  -2.438  -1.646
  462    HB3  LEU  59           1HB      LEU  59   2.730  -1.150  -2.358
  463    HG   LEU  59           HG       LEU  59   3.927  -3.346  -1.918
  464   HD11  LEU  59          1HD1      LEU  59   5.988  -2.272  -1.181
  465   HD12  LEU  59          2HD1      LEU  59   5.070  -0.851  -0.680
  466   HD13  LEU  59          3HD1      LEU  59   5.144  -1.299  -2.385
  467   HD21  LEU  59          3HD2      LEU  59   2.972  -3.792   0.292
  468   HD22  LEU  59          1HD2      LEU  59   3.805  -2.377   0.935
  469   HD23  LEU  59          2HD2      LEU  59   4.734  -3.753   0.341
  470    H    GLY  60           HN       GLY  60   2.125   1.108  -2.036
  471    HA2  GLY  60           2HA      GLY  60   4.567   2.362  -1.489
  472    HA3  GLY  60           1HA      GLY  60   3.202   3.120  -2.300
  473    H    LYS  61           HN       LYS  61   1.346   2.970  -0.178
  474    HA   LYS  61           HA       LYS  61   1.932   5.297   1.285
  475    HB2  LYS  61           2HB      LYS  61  -0.082   3.100   1.790
  476    HB3  LYS  61           1HB      LYS  61  -0.036   4.607   2.694
  477    HG2  LYS  61           2HG      LYS  61  -0.634   5.873   0.784
  478    HG3  LYS  61           1HG      LYS  61  -0.355   4.503  -0.294
  479    HD2  LYS  61           2HD      LYS  61  -2.742   4.858   0.072
  480    HD3  LYS  61           1HD      LYS  61  -2.225   3.307   0.727
  481    HE2  LYS  61           2HE      LYS  61  -3.654   4.227   2.352
  482    HE3  LYS  61           1HE      LYS  61  -2.024   4.487   2.968
  483    HZ1  LYS  61           3HZ      LYS  61  -2.135   6.774   2.146
  484    HZ2  LYS  61           1HZ      LYS  61  -3.381   6.450   3.250
  485    HZ3  LYS  61           2HZ      LYS  61  -3.713   6.505   1.589
  486    H    THR  62           HN       THR  62   2.361   1.897   1.989
  487    HA   THR  62           HA       THR  62   2.899   2.194   4.759
  488    HB   THR  62           HB       THR  62   3.741  -0.074   2.939
  489    HG1  THR  62           1HG      THR  62   1.473   0.308   2.807
  490   HG21  THR  62          3HG2      THR  62   3.596  -1.413   4.996
  491   HG22  THR  62          1HG2      THR  62   3.219   0.048   5.913
  492   HG23  THR  62          2HG2      THR  62   4.793  -0.128   5.139
  493    H    LEU  63           HN       LEU  63   4.944   1.988   1.863
  494    HA   LEU  63           HA       LEU  63   7.429   2.010   3.153
  495    HB2  LEU  63           2HB      LEU  63   6.437   2.755   0.445
  496    HB3  LEU  63           1HB      LEU  63   8.067   3.216   0.889
  497    HG   LEU  63           HG       LEU  63   7.830   1.069  -0.395
  498   HD11  LEU  63          1HD1      LEU  63   9.519  -0.100   0.906
  499   HD12  LEU  63          2HD1      LEU  63   9.130   0.886   2.317
  500   HD13  LEU  63          3HD1      LEU  63   9.842   1.633   0.886
  501   HD21  LEU  63          3HD2      LEU  63   6.710   0.087   2.219
  502   HD22  LEU  63          1HD2      LEU  63   7.226  -0.941   0.881
  503   HD23  LEU  63          2HD2      LEU  63   5.863   0.159   0.673
  504    H    GLN  64           HN       GLN  64   5.322   4.672   2.124
  505    HA   GLN  64           HA       GLN  64   7.117   6.743   2.836
  506    HB2  GLN  64           2HB      GLN  64   5.174   7.130   1.380
  507    HB3  GLN  64           1HB      GLN  64   4.095   6.807   2.728
  508    HG2  GLN  64           2HG      GLN  64   4.347   9.202   2.288
  509    HG3  GLN  64           1HG      GLN  64   4.906   8.756   3.897
  510   HE21  GLN  64          1HE2      GLN  64   7.115   8.819   4.353
  511   HE22  GLN  64          2HE2      GLN  64   8.230   9.683   3.353
  512    H    GLY  65           HN       GLY  65   4.637   4.977   4.591
  513    HA2  GLY  65           2HA      GLY  65   4.666   6.445   6.982
  514    HA3  GLY  65           1HA      GLY  65   4.249   4.743   6.839
  515    H    GLN  66           HN       GLN  66   6.972   4.187   5.683
  516    HA   GLN  66           HA       GLN  66   8.318   3.691   8.161
  517    HB2  GLN  66           2HB      GLN  66   8.402   2.573   5.635
  518    HB3  GLN  66           1HB      GLN  66   9.931   3.430   5.729
  519    HG2  GLN  66           2HG      GLN  66   8.932   1.296   7.599
  520    HG3  GLN  66           1HG      GLN  66  10.246   1.165   6.433
  521   HE21  GLN  66          1HE2      GLN  66   9.262   2.363   9.523
  522   HE22  GLN  66          2HE2      GLN  66  10.838   2.794  10.086
  523    H    GLY  67           HN       GLY  67   8.579   6.019   5.548
  524    HA2  GLY  67           2HA      GLY  67   9.321   8.249   6.454
  525    HA3  GLY  67           1HA      GLY  67  10.724   7.379   7.056
  526    H    ASP  68           HN       ASP  68  10.691   5.720   4.526
  527    HA   ASP  68           HA       ASP  68  12.400   7.563   3.078
  528    HB2  ASP  68           2HB      ASP  68  13.301   5.348   3.603
  529    HB3  ASP  68           1HB      ASP  68  11.984   4.590   2.715
  530    H    ARG  69           HN       ARG  69  11.147   8.868   1.936
  531    HA   ARG  69           HA       ARG  69   8.809   8.124   0.541
  532    HB2  ARG  69           2HB      ARG  69   8.869  10.316  -0.455
  533    HB3  ARG  69           1HB      ARG  69   9.346  10.452   1.231
  534    HG2  ARG  69           2HG      ARG  69  11.688  10.585   0.561
  535    HG3  ARG  69           1HG      ARG  69  11.213  10.436  -1.133
  536    HD2  ARG  69           2HD      ARG  69   9.865  12.505  -0.882
  537    HD3  ARG  69           1HD      ARG  69  10.487  12.671   0.761
  538    HE   ARG  69           HE       ARG  69  12.138  12.810  -1.693
  539   HH11  ARG  69          1HH1      ARG  69  11.494  13.710   1.632
  540   HH12  ARG  69          2HH1      ARG  69  12.863  14.782   1.744
  541   HH21  ARG  69          1HH2      ARG  69  13.915  14.200  -1.564
  542   HH22  ARG  69          2HH2      ARG  69  14.261  15.038  -0.080
  543    H    ALA  70           HN       ALA  70  12.164   7.941  -0.266
  544    HA   ALA  70           HA       ALA  70  11.944   7.826  -3.080
  545    HB1  ALA  70           1HB      ALA  70  14.167   6.808  -3.020
  546    HB2  ALA  70           2HB      ALA  70  14.013   6.573  -1.279
  547    HB3  ALA  70           3HB      ALA  70  14.071   8.204  -1.946
  548    H    GLY  71           HN       GLY  71  11.869   5.321  -0.568
  549    HA2  GLY  71           2HA      GLY  71  11.467   3.166  -2.392
  550    HA3  GLY  71           1HA      GLY  71  11.161   3.133  -0.658
  551    H    ALA  72           HN       ALA  72   9.354   5.358  -0.667
  552    HA   ALA  72           HA       ALA  72   6.910   4.082  -1.140
  553    HB1  ALA  72           1HB      ALA  72   7.182   5.952   0.416
  554    HB2  ALA  72           2HB      ALA  72   5.882   6.245  -0.740
  555    HB3  ALA  72           3HB      ALA  72   7.442   7.042  -0.947
  556    H    ARG  73           HN       ARG  73   8.544   6.633  -3.035
  557    HA   ARG  73           HA       ARG  73   6.613   6.621  -5.107
  558    HB2  ARG  73           2HB      ARG  73   8.288   7.832  -6.459
  559    HB3  ARG  73           1HB      ARG  73   8.075   8.535  -4.864
  560    HG2  ARG  73           2HG      ARG  73  10.150   7.759  -4.117
  561    HG3  ARG  73           1HG      ARG  73  10.292   6.606  -5.445
  562    HD2  ARG  73           2HD      ARG  73  10.288   9.599  -5.787
  563    HD3  ARG  73           1HD      ARG  73  11.747   8.614  -5.676
  564    HE   ARG  73           HE       ARG  73  10.160   7.520  -7.696
  565   HH11  ARG  73          1HH1      ARG  73  11.900  10.510  -7.074
  566   HH12  ARG  73          2HH1      ARG  73  12.206  10.818  -8.750
  567   HH21  ARG  73          1HH2      ARG  73  10.548   7.945  -9.895
  568   HH22  ARG  73          2HH2      ARG  73  11.448   9.370 -10.349
  569    H    GLN  74           HN       GLN  74   9.604   4.826  -4.606
  570    HA   GLN  74           HA       GLN  74   9.863   3.669  -7.136
  571    HB2  GLN  74           2HB      GLN  74  11.225   3.496  -4.768
  572    HB3  GLN  74           1HB      GLN  74  10.480   1.906  -4.849
  573    HG2  GLN  74           2HG      GLN  74  12.307   3.149  -6.893
  574    HG3  GLN  74           1HG      GLN  74  12.697   1.837  -5.785
  575   HE21  GLN  74          1HE2      GLN  74  11.124   2.751  -8.698
  576   HE22  GLN  74          2HE2      GLN  74  10.752   1.156  -9.265
  577    H    ALA  75           HN       ALA  75   8.047   2.621  -4.281
  578    HA   ALA  75           HA       ALA  75   7.014   0.234  -5.358
  579    HB1  ALA  75           1HB      ALA  75   7.017   0.739  -2.959
  580    HB2  ALA  75           2HB      ALA  75   5.409   0.306  -3.537
  581    HB3  ALA  75           3HB      ALA  75   5.808   1.997  -3.227
  582    H    TRP  76           HN       TRP  76   5.684   3.527  -5.252
  583    HA   TRP  76           HA       TRP  76   3.226   2.869  -6.477
  584    HB2  TRP  76           2HB      TRP  76   4.707   5.475  -6.165
  585    HB3  TRP  76           1HB      TRP  76   3.158   5.371  -6.990
  586    HD1  TRP  76           1HD      TRP  76   1.702   3.358  -5.004
  587    HE1  TRP  76           1HE      TRP  76   0.982   4.189  -2.681
  588    HE3  TRP  76           3HE      TRP  76   4.845   7.358  -4.567
  589    HZ2  TRP  76           2HZ      TRP  76   1.662   6.260  -0.894
  590    HZ3  TRP  76           3HZ      TRP  76   4.749   8.715  -2.519
  591    HH2  TRP  76           2HH      TRP  76   3.188   8.178  -0.720
  592    H    GLU  77           HN       GLU  77   6.301   4.057  -7.801
  593    HA   GLU  77           HA       GLU  77   5.455   4.298 -10.472
  594    HB2  GLU  77           2HB      GLU  77   8.180   3.709  -9.310
  595    HB3  GLU  77           1HB      GLU  77   7.896   4.049 -11.011
  596    HG2  GLU  77           2HG      GLU  77   7.075   6.254 -10.471
  597    HG3  GLU  77           1HG      GLU  77   7.228   5.916  -8.749
  598    H    SER  78           HN       SER  78   6.687   1.553  -8.641
  599    HA   SER  78           HA       SER  78   6.801  -0.250 -10.839
  600    HB2  SER  78           2HB      SER  78   6.526  -0.849  -7.880
  601    HB3  SER  78           1HB      SER  78   7.013  -1.996  -9.129
  602    HG   SER  78           HG       SER  78   8.413   0.268  -8.159
  603    H    GLY  79           HN       GLY  79   4.391   0.338  -8.289
  604    HA2  GLY  79           2HA      GLY  79   2.502  -1.566  -9.190
  605    HA3  GLY  79           1HA      GLY  79   2.154  -0.183  -8.163
  606    H    LEU  80           HN       LEU  80   3.156   1.730 -10.141
  607    HA   LEU  80           HA       LEU  80   0.828   2.276 -11.592
  608    HB2  LEU  80           2HB      LEU  80   3.028   3.683 -11.010
  609    HB3  LEU  80           1HB      LEU  80   3.456   3.207 -12.637
  610    HG   LEU  80           HG       LEU  80   1.316   4.227 -13.434
  611   HD11  LEU  80          1HD1      LEU  80   0.166   5.782 -11.939
  612   HD12  LEU  80          2HD1      LEU  80   1.212   5.279 -10.612
  613   HD13  LEU  80          3HD1      LEU  80   0.089   4.127 -11.335
  614   HD21  LEU  80          3HD2      LEU  80   2.119   6.540 -13.245
  615   HD22  LEU  80          1HD2      LEU  80   3.422   5.417 -13.633
  616   HD23  LEU  80          2HD2      LEU  80   3.249   6.034 -11.989
  617    H    ALA  81           HN       ALA  81   3.934   0.945 -12.643
  618    HA   ALA  81           HA       ALA  81   3.154   0.371 -15.299
  619    HB1  ALA  81           1HB      ALA  81   5.166  -1.012 -15.400
  620    HB2  ALA  81           2HB      ALA  81   5.328  -0.917 -13.644
  621    HB3  ALA  81           3HB      ALA  81   5.496   0.539 -14.627
  622    H    ALA  82           HN       ALA  82   2.901  -1.413 -12.297
  623    HA   ALA  82           HA       ALA  82   2.127  -3.894 -13.410
  624    HB1  ALA  82           1HB      ALA  82   2.829  -3.652 -11.071
  625    HB2  ALA  82           2HB      ALA  82   1.245  -4.416 -11.205
  626    HB3  ALA  82           3HB      ALA  82   1.368  -2.721 -10.737
  627    H    ALA  83           HN       ALA  83   0.282  -1.084 -12.284
  628    HA   ALA  83           HA       ALA  83  -2.282  -2.095 -12.914
  629    HB1  ALA  83           1HB      ALA  83  -1.956  -0.208 -11.404
  630    HB2  ALA  83           2HB      ALA  83  -3.029   0.226 -12.734
  631    HB3  ALA  83           3HB      ALA  83  -1.352   0.770 -12.740
  632    H    GLN  84           HN       GLN  84   0.027  -0.114 -14.743
  633    HA   GLN  84           HA       GLN  84  -1.523   0.223 -17.054
  634    HB2  GLN  84           2HB      GLN  84   1.434   0.190 -16.524
  635    HB3  GLN  84           1HB      GLN  84   0.808   0.400 -18.153
  636    HG2  GLN  84           2HG      GLN  84   0.017   2.135 -15.836
  637    HG3  GLN  84           1HG      GLN  84   1.344   2.509 -16.930
  638   HE21  GLN  84          1HE2      GLN  84   0.908   3.224 -18.982
  639   HE22  GLN  84          2HE2      GLN  84  -0.684   3.654 -19.514
  640    H    SER  85           HN       SER  85   0.789  -2.308 -16.165
  641    HA   SER  85           HA       SER  85   0.611  -3.793 -18.534
  642    HB2  SER  85           2HB      SER  85   2.309  -4.071 -16.679
  643    HB3  SER  85           1HB      SER  85   1.072  -4.937 -15.774
  644    HG   SER  85           HG       SER  85   2.725  -6.011 -17.396
  645    H    ARG  86           HN       ARG  86  -1.463  -3.732 -15.689
  646    HA   ARG  86           HA       ARG  86  -3.051  -5.961 -16.597
  647    HB2  ARG  86           2HB      ARG  86  -3.354  -4.007 -14.331
  648    HB3  ARG  86           1HB      ARG  86  -4.494  -5.304 -14.650
  649    HG2  ARG  86           2HG      ARG  86  -1.576  -5.819 -14.228
  650    HG3  ARG  86           1HG      ARG  86  -2.721  -5.716 -12.898
  651    HD2  ARG  86           2HD      ARG  86  -2.444  -8.011 -13.471
  652    HD3  ARG  86           1HD      ARG  86  -4.054  -7.505 -13.973
  653    HE   ARG  86           HE       ARG  86  -1.852  -7.591 -15.933
  654   HH11  ARG  86          1HH1      ARG  86  -4.949  -8.739 -14.793
  655   HH12  ARG  86          2HH1      ARG  86  -5.303  -9.654 -16.225
  656   HH21  ARG  86          1HH2      ARG  86  -2.288  -8.795 -17.836
  657   HH22  ARG  86          2HH2      ARG  86  -3.782  -9.670 -17.977
  658    H    GLY  87           HN       GLY  87  -2.959  -2.616 -17.201
  659    HA2  GLY  87           2HA      GLY  87  -4.246  -1.414 -18.712
  660    HA3  GLY  87           1HA      GLY  87  -5.332  -2.785 -18.827
  661    H    ASP  88           HN       ASP  88  -4.428  -1.320 -15.802
  662    HA   ASP  88           HA       ASP  88  -7.230  -0.511 -15.432
  663    HB2  ASP  88           2HB      ASP  88  -5.124  -1.466 -13.532
  664    HB3  ASP  88           1HB      ASP  88  -6.397  -0.408 -12.935
  665    H    GLN  89           HN       GLN  89  -6.949   1.445 -16.541
  666    HA   GLN  89           HA       GLN  89  -5.087   3.429 -15.979
  667    HB2  GLN  89           2HB      GLN  89  -7.873   3.467 -17.089
  668    HB3  GLN  89           1HB      GLN  89  -6.962   4.948 -16.875
  669    HG2  GLN  89           2HG      GLN  89  -5.917   2.617 -18.437
  670    HG3  GLN  89           1HG      GLN  89  -6.881   3.900 -19.162
  671   HE21  GLN  89          1HE2      GLN  89  -4.123   3.127 -19.690
  672   HE22  GLN  89          2HE2      GLN  89  -3.152   4.530 -19.380
  673    H    GLN  90           HN       GLN  90  -8.143   2.670 -14.406
  674    HA   GLN  90           HA       GLN  90  -8.509   4.987 -12.906
  675    HB2  GLN  90           2HB      GLN  90 -10.193   3.231 -12.984
  676    HB3  GLN  90           1HB      GLN  90  -9.120   2.129 -12.134
  677    HG2  GLN  90           2HG      GLN  90  -9.146   3.783 -10.223
  678    HG3  GLN  90           1HG      GLN  90 -10.466   4.590 -11.067
  679   HE21  GLN  90          1HE2      GLN  90 -10.386   3.239  -8.480
  680   HE22  GLN  90          2HE2      GLN  90 -11.625   2.020  -8.545
  681    H    VAL  91           HN       VAL  91  -6.622   2.092 -12.128
  682    HA   VAL  91           HA       VAL  91  -5.904   2.960  -9.512
  683    HB   VAL  91           HB       VAL  91  -4.515   0.896 -11.248
  684   HG11  VAL  91          1HG1      VAL  91  -3.164   1.604  -9.347
  685   HG12  VAL  91          2HG1      VAL  91  -3.745  -0.046  -9.121
  686   HG13  VAL  91          3HG1      VAL  91  -4.513   1.286  -8.255
  687   HG21  VAL  91          3HG2      VAL  91  -6.869   0.350 -11.022
  688   HG22  VAL  91          1HG2      VAL  91  -6.779   0.572  -9.275
  689   HG23  VAL  91          2HG2      VAL  91  -5.904  -0.754 -10.041
  690    H    VAL  92           HN       VAL  92  -4.393   3.132 -12.685
  691    HA   VAL  92           HA       VAL  92  -1.896   4.149 -11.952
  692    HB   VAL  92           HB       VAL  92  -3.513   4.766 -14.437
  693   HG11  VAL  92          1HG1      VAL  92  -0.556   5.098 -13.918
  694   HG12  VAL  92          2HG1      VAL  92  -1.730   6.393 -14.153
  695   HG13  VAL  92          3HG1      VAL  92  -1.352   5.297 -15.481
  696   HG21  VAL  92          3HG2      VAL  92  -2.164   2.996 -15.476
  697   HG22  VAL  92          1HG2      VAL  92  -3.149   2.388 -14.148
  698   HG23  VAL  92          2HG2      VAL  92  -1.423   2.657 -13.910
  699    H    LYS  93           HN       LYS  93  -4.943   5.818 -12.665
  700    HA   LYS  93           HA       LYS  93  -3.926   8.433 -12.312
  701    HB2  LYS  93           2HB      LYS  93  -6.747   7.367 -12.130
  702    HB3  LYS  93           1HB      LYS  93  -6.335   9.077 -12.102
  703    HG2  LYS  93           2HG      LYS  93  -5.352   8.880 -14.329
  704    HG3  LYS  93           1HG      LYS  93  -5.767   7.166 -14.359
  705    HD2  LYS  93           2HD      LYS  93  -7.754   9.413 -14.071
  706    HD3  LYS  93           1HD      LYS  93  -7.381   8.588 -15.586
  707    HE2  LYS  93           2HE      LYS  93  -8.102   6.459 -14.566
  708    HE3  LYS  93           1HE      LYS  93  -8.537   7.332 -13.097
  709    HZ1  LYS  93           3HZ      LYS  93  -9.709   7.859 -15.776
  710    HZ2  LYS  93           1HZ      LYS  93 -10.193   8.551 -14.305
  711    HZ3  LYS  93           2HZ      LYS  93 -10.435   6.896 -14.585
  712    H    GLU  94           HN       GLU  94  -5.520   6.161 -10.098
  713    HA   GLU  94           HA       GLU  94  -5.773   7.922  -7.924
  714    HB2  GLU  94           2HB      GLU  94  -5.485   4.916  -7.968
  715    HB3  GLU  94           1HB      GLU  94  -5.955   5.856  -6.566
  716    HG2  GLU  94           2HG      GLU  94  -7.899   6.698  -7.923
  717    HG3  GLU  94           1HG      GLU  94  -7.471   5.483  -9.122
  718    H    LEU  95           HN       LEU  95  -3.260   5.539  -8.706
  719    HA   LEU  95           HA       LEU  95  -1.693   6.089  -6.416
  720    HB2  LEU  95           2HB      LEU  95  -1.203   4.661  -8.997
  721    HB3  LEU  95           1HB      LEU  95   0.128   4.964  -7.895
  722    HG   LEU  95           HG       LEU  95  -2.377   3.394  -7.226
  723   HD11  LEU  95          1HD1      LEU  95  -0.870   1.473  -7.156
  724   HD12  LEU  95          2HD1      LEU  95   0.471   2.498  -7.669
  725   HD13  LEU  95          3HD1      LEU  95  -0.884   2.206  -8.759
  726   HD21  LEU  95          3HD2      LEU  95  -1.493   4.618  -5.315
  727   HD22  LEU  95          1HD2      LEU  95   0.109   3.951  -5.620
  728   HD23  LEU  95          2HD2      LEU  95  -1.212   2.884  -5.144
  729    H    GLN  96           HN       GLN  96  -1.798   7.489  -9.629
  730    HA   GLN  96           HA       GLN  96   0.650   8.841  -9.591
  731    HB2  GLN  96           2HB      GLN  96  -0.895   8.635 -11.569
  732    HB3  GLN  96           1HB      GLN  96  -1.898   9.881 -10.833
  733    HG2  GLN  96           2HG      GLN  96   0.176  11.335 -10.813
  734    HG3  GLN  96           1HG      GLN  96   0.906  10.127 -11.870
  735   HE21  GLN  96          1HE2      GLN  96   0.059   9.844 -13.960
  736   HE22  GLN  96          2HE2      GLN  96  -0.915  11.060 -14.714
  737    H    VAL  97           HN       VAL  97  -2.436   9.604  -8.097
  738    HA   VAL  97           HA       VAL  97  -2.022  12.325  -7.575
  739    HB   VAL  97           HB       VAL  97  -3.602  10.346  -5.918
  740   HG11  VAL  97          1HG1      VAL  97  -3.789  13.356  -6.040
  741   HG12  VAL  97          2HG1      VAL  97  -3.127  12.418  -4.702
  742   HG13  VAL  97          3HG1      VAL  97  -4.839  12.289  -5.107
  743   HG21  VAL  97          3HG2      VAL  97  -5.536  11.177  -7.185
  744   HG22  VAL  97          1HG2      VAL  97  -4.351  10.383  -8.223
  745   HG23  VAL  97          2HG2      VAL  97  -4.452  12.144  -8.185
  746    H    PHE  98           HN       PHE  98  -1.105   9.451  -5.731
  747    HA   PHE  98           HA       PHE  98  -0.054  10.811  -3.483
  748    HB2  PHE  98           2HB      PHE  98   0.691   8.112  -4.643
  749    HB3  PHE  98           1HB      PHE  98   1.188   8.698  -3.061
  750    HD1  PHE  98           1HD      PHE  98  -0.554   9.118  -1.321
  751    HD2  PHE  98           2HD      PHE  98  -1.399   7.109  -4.973
  752    HE1  PHE  98           1HE      PHE  98  -2.606   8.189  -0.331
  753    HE2  PHE  98           2HE      PHE  98  -3.451   6.179  -3.996
  754    HZ   PHE  98           HZ       PHE  98  -4.061   6.720  -1.674
  755    H    LEU  99           HN       LEU  99   1.353   9.717  -6.524
  756    HA   LEU  99           HA       LEU  99   4.022  10.422  -5.992
  757    HB2  LEU  99           2HB      LEU  99   2.503  10.154  -8.579
  758    HB3  LEU  99           1HB      LEU  99   4.231  10.443  -8.506
  759    HG   LEU  99           HG       LEU  99   2.843   8.024  -7.338
  760   HD11  LEU  99          1HD1      LEU  99   3.807   6.798  -9.203
  761   HD12  LEU  99          2HD1      LEU  99   4.482   8.290  -9.856
  762   HD13  LEU  99          3HD1      LEU  99   2.733   8.067  -9.790
  763   HD21  LEU  99          3HD2      LEU  99   5.125   7.149  -7.124
  764   HD22  LEU  99          1HD2      LEU  99   4.905   8.620  -6.175
  765   HD23  LEU  99          2HD2      LEU  99   5.765   8.681  -7.714
  766    H    ARG 100           HN       ARG 100   1.288  12.320  -7.112
  767    HA   ARG 100           HA       ARG 100   2.708  14.518  -8.147
  768    HB2  ARG 100           2HB      ARG 100   0.016  14.598  -6.786
  769    HB3  ARG 100           1HB      ARG 100   0.639  15.735  -7.967
  770    HG2  ARG 100           2HG      ARG 100   0.812  13.389  -9.302
  771    HG3  ARG 100           1HG      ARG 100  -0.639  13.156  -8.336
  772    HD2  ARG 100           2HD      ARG 100  -1.155  14.120 -10.529
  773    HD3  ARG 100           1HD      ARG 100  -1.589  15.210  -9.211
  774    HE   ARG 100           HE       ARG 100   0.533  16.404  -9.705
  775   HH11  ARG 100          1HH1      ARG 100  -0.900  14.374 -12.186
  776   HH12  ARG 100          2HH1      ARG 100  -0.189  15.266 -13.496
  777   HH21  ARG 100          1HH2      ARG 100   1.440  17.577 -11.418
  778   HH22  ARG 100          2HH2      ARG 100   1.090  17.130 -13.064
  779    H    ARG 101           HN       ARG 101   1.308  13.908  -4.960
  780    HA   ARG 101           HA       ARG 101   2.363  16.328  -3.846
  781    HB2  ARG 101           2HB      ARG 101   0.383  15.187  -2.871
  782    HB3  ARG 101           1HB      ARG 101   1.431  13.871  -2.348
  783    HG2  ARG 101           2HG      ARG 101   2.748  15.527  -1.036
  784    HG3  ARG 101           1HG      ARG 101   1.543  16.742  -1.455
  785    HD2  ARG 101           2HD      ARG 101  -0.179  15.437  -0.325
  786    HD3  ARG 101           1HD      ARG 101   1.013  14.195   0.072
  787    HE   ARG 101           HE       ARG 101   1.473  16.941   0.989
  788   HH11  ARG 101          1HH1      ARG 101   0.641  13.630   1.778
  789   HH12  ARG 101          2HH1      ARG 101   1.023  13.803   3.463
  790   HH21  ARG 101          1HH2      ARG 101   1.966  17.172   3.193
  791   HH22  ARG 101          2HH2      ARG 101   1.783  15.823   4.266
  792    H    LEU 102           HN       LEU 102   3.425  12.983  -3.989
  793    HA   LEU 102           HA       LEU 102   5.546  13.081  -2.178
  794    HB2  LEU 102           2HB      LEU 102   4.478  11.148  -3.670
  795    HB3  LEU 102           1HB      LEU 102   5.835  11.527  -4.709
  796    HG   LEU 102           HG       LEU 102   6.271   9.624  -3.197
  797   HD11  LEU 102          1HD1      LEU 102   8.440  10.371  -2.349
  798   HD12  LEU 102          2HD1      LEU 102   7.979  12.046  -2.660
  799   HD13  LEU 102          3HD1      LEU 102   8.159  10.916  -4.002
  800   HD21  LEU 102          3HD2      LEU 102   6.585  10.035  -0.812
  801   HD22  LEU 102          1HD2      LEU 102   4.924  10.348  -1.312
  802   HD23  LEU 102          2HD2      LEU 102   6.028  11.694  -1.025
  803    H    ALA 103           HN       ALA 103   5.437  13.813  -5.644
  804    HA   ALA 103           HA       ALA 103   8.159  14.438  -5.956
  805    HB1  ALA 103           1HB      ALA 103   6.706  13.980  -7.852
  806    HB2  ALA 103           2HB      ALA 103   7.466  15.563  -8.028
  807    HB3  ALA 103           3HB      ALA 103   5.782  15.446  -7.519
  808    H    ARG 104           HN       ARG 104   5.435  16.346  -4.833
  809    HA   ARG 104           HA       ARG 104   6.750  18.868  -4.945
  810    HB2  ARG 104           2HB      ARG 104   4.464  17.957  -3.181
  811    HB3  ARG 104           1HB      ARG 104   4.975  19.626  -3.393
  812    HG2  ARG 104           2HG      ARG 104   4.410  19.498  -5.766
  813    HG3  ARG 104           1HG      ARG 104   3.899  17.822  -5.549
  814    HD2  ARG 104           2HD      ARG 104   1.963  19.263  -5.538
  815    HD3  ARG 104           1HD      ARG 104   2.202  18.583  -3.929
  816    HE   ARG 104           HE       ARG 104   3.508  21.058  -4.040
  817   HH11  ARG 104          1HH1      ARG 104   0.259  19.737  -4.006
  818   HH12  ARG 104          2HH1      ARG 104  -0.453  21.198  -3.377
  819   HH21  ARG 104          1HH2      ARG 104   2.584  22.949  -3.203
  820   HH22  ARG 104          2HH2      ARG 104   0.874  23.020  -2.903
  821    H    GLU 105           HN       GLU 105   6.260  16.496  -2.335
  822    HA   GLU 105           HA       GLU 105   7.698  17.848  -0.355
  823    HB2  GLU 105           2HB      GLU 105   7.108  14.923  -0.787
  824    HB3  GLU 105           1HB      GLU 105   7.889  15.547   0.652
  825    HG2  GLU 105           2HG      GLU 105   5.165  16.381  -0.303
  826    HG3  GLU 105           1HG      GLU 105   5.469  15.162   0.932
  827    H    ASP 106           HN       ASP 106   8.708  15.534  -2.839
  828    HA   ASP 106           HA       ASP 106  11.369  15.254  -1.873
  829    HB2  ASP 106           2HB      ASP 106  10.244  13.646  -3.425
  830    HB3  ASP 106           1HB      ASP 106  10.392  14.845  -4.701
  831    H    ALA 107           HN       ALA 107   9.892  17.199  -4.399
  832    HA   ALA 107           HA       ALA 107  12.159  18.407  -5.447
  833    HB1  ALA 107           1HB      ALA 107  10.695  20.153  -6.285
  834    HB2  ALA 107           2HB      ALA 107   9.423  19.645  -5.173
  835    HB3  ALA 107           3HB      ALA 107   9.939  18.570  -6.474
  836    H    LEU 108           HN       LEU 108  10.230  19.370  -2.633
  837    HA   LEU 108           HA       LEU 108  11.387  21.867  -2.196
  838    HB2  LEU 108           2HB      LEU 108  10.234  19.888  -0.233
  839    HB3  LEU 108           1HB      LEU 108  10.666  21.531   0.172
  840    HG   LEU 108           HG       LEU 108   8.585  20.745  -1.839
  841   HD11  LEU 108          1HD1      LEU 108   6.991  21.602  -0.191
  842   HD12  LEU 108          2HD1      LEU 108   8.314  21.845   0.949
  843   HD13  LEU 108          3HD1      LEU 108   7.891  20.216   0.421
  844   HD21  LEU 108          3HD2      LEU 108   9.351  23.454  -0.761
  845   HD22  LEU 108          1HD2      LEU 108   7.999  23.117  -1.841
  846   HD23  LEU 108          2HD2      LEU 108   9.654  22.864  -2.395
  847    H    GLU 109           HN       GLU 109  12.476  18.650  -1.264
  848    HA   GLU 109           HA       GLU 109  14.716  19.835   0.200
  849    HB2  GLU 109           2HB      GLU 109  13.804  16.959   0.141
  850    HB3  GLU 109           1HB      GLU 109  15.041  17.637   1.192
  851    HG2  GLU 109           2HG      GLU 109  13.331  19.085   2.220
  852    HG3  GLU 109           1HG      GLU 109  12.107  18.310   1.218
  853    H    HIS 110           HN       HIS 110  14.143  18.958  -2.836
  854    HA   HIS 110           HA       HIS 110  16.921  18.072  -3.298
  855    HB2  HIS 110           2HB      HIS 110  14.352  17.168  -4.437
  856    HB3  HIS 110           1HB      HIS 110  15.629  17.435  -5.612
  857    HD1  HIS 110           1HD      HIS 110  14.314  14.633  -4.633
  858    HD2  HIS 110           2HD      HIS 110  18.067  16.169  -3.678
  859    HE1  HIS 110           1HE      HIS 110  15.735  12.647  -4.027
  860    HE2  HIS 110           2HE      HIS 110  18.034  13.582  -3.594
  861    H    HIS 111           HN       HIS 111  15.021  20.658  -3.373
  862    HA   HIS 111           HA       HIS 111  16.428  22.077  -5.410
  863    HB2  HIS 111           2HB      HIS 111  14.908  20.822  -6.850
  864    HB3  HIS 111           1HB      HIS 111  13.531  21.304  -5.874
  865    HD1  HIS 111           1HD      HIS 111  13.038  24.010  -5.955
  866    HD2  HIS 111           2HD      HIS 111  15.350  22.395  -9.000
  867    HE1  HIS 111           1HE      HIS 111  12.882  25.643  -7.855
  868    HE2  HIS 111           2HE      HIS 111  14.027  24.479  -9.771
  869    H    HIS 112           HN       HIS 112  16.776  23.359  -3.516
  870    HA   HIS 112           HA       HIS 112  14.453  24.936  -2.686
  871    HB2  HIS 112           2HB      HIS 112  15.895  25.967  -1.011
  872    HB3  HIS 112           1HB      HIS 112  16.000  24.217  -0.898
  873    HD1  HIS 112           1HD      HIS 112  18.036  27.205  -1.125
  874    HD2  HIS 112           2HD      HIS 112  18.502  23.178  -2.063
  875    HE1  HIS 112           1HE      HIS 112  20.520  26.832  -1.329
  876    HE2  HIS 112           2HE      HIS 112  20.782  24.368  -1.775
  877    H    HIS 113           HN       HIS 113  17.036  24.875  -4.825
  878    HA   HIS 113           HA       HIS 113  15.935  27.198  -6.158
  879    HB2  HIS 113           2HB      HIS 113  18.883  26.956  -5.491
  880    HB3  HIS 113           1HB      HIS 113  18.266  27.996  -6.764
  881    HD1  HIS 113           1HD      HIS 113  16.095  29.578  -5.566
  882    HD2  HIS 113           2HD      HIS 113  19.434  28.468  -3.349
  883    HE1  HIS 113           1HE      HIS 113  16.226  31.219  -3.669
  884    HE2  HIS 113           2HE      HIS 113  18.139  30.414  -2.243
  885    H    HIS 114           HN       HIS 114  17.024  27.211  -8.490
  886    HA   HIS 114           HA       HIS 114  17.385  24.385  -9.216
  887    HB2  HIS 114           2HB      HIS 114  15.626  25.717 -10.438
  888    HB3  HIS 114           1HB      HIS 114  16.934  26.663 -11.146
  889    HD1  HIS 114           1HD      HIS 114  17.040  22.913 -10.663
  890    HD2  HIS 114           2HD      HIS 114  16.720  25.710 -13.726
  891    HE1  HIS 114           1HE      HIS 114  17.250  21.610 -12.802
  892    HE2  HIS 114           2HE      HIS 114  16.876  23.289 -14.635
  893    H    HIS 115           HN       HIS 115  19.434  23.920  -8.861
  894    HA   HIS 115           HA       HIS 115  21.429  25.470 -10.358
  895    HB2  HIS 115           2HB      HIS 115  21.534  25.961  -7.899
  896    HB3  HIS 115           1HB      HIS 115  21.873  24.257  -7.617
  897    HD1  HIS 115           1HD      HIS 115  23.405  27.367  -9.084
  898    HD2  HIS 115           2HD      HIS 115  24.496  23.488  -8.053
  899    HE1  HIS 115           1HE      HIS 115  25.916  27.301  -9.242
  900    HE2  HIS 115           2HE      HIS 115  26.526  24.889  -8.835
  Start of MODEL   10
    1    H1   MET   1           H1       MET   1 -15.651  -2.596  18.804
    2    H2   MET   1           H2       MET   1 -16.007  -1.245  19.761
    3    H3   MET   1           H3       MET   1 -16.191  -2.806  20.398
    4    HA   MET   1           HA       MET   1 -13.616  -1.628  19.528
    5    HB2  MET   1           2HB      MET   1 -14.853  -1.903  22.268
    6    HB3  MET   1           1HB      MET   1 -13.126  -1.687  22.029
    7    HG2  MET   1           2HG      MET   1 -13.531   0.442  20.931
    8    HG3  MET   1           1HG      MET   1 -15.269   0.222  21.125
    9    HE1  MET   1           2HE      MET   1 -12.500  -0.789  23.695
   10    HE2  MET   1           3HE      MET   1 -12.375   0.663  24.687
   11    HE3  MET   1           1HE      MET   1 -11.841   0.696  23.007
   12    H    GLN   2           HN       GLN   2 -12.548  -3.308  18.688
   13    HA   GLN   2           HA       GLN   2 -11.810  -5.471  20.404
   14    HB2  GLN   2           2HB      GLN   2 -14.047  -6.208  19.617
   15    HB3  GLN   2           1HB      GLN   2 -13.457  -6.171  17.966
   16    HG2  GLN   2           2HG      GLN   2 -13.330  -8.409  18.585
   17    HG3  GLN   2           1HG      GLN   2 -11.681  -7.816  18.756
   18   HE21  GLN   2          1HE2      GLN   2 -12.403  -6.379  21.270
   19   HE22  GLN   2          2HE2      GLN   2 -12.478  -7.619  22.480
   20    H    ALA   3           HN       ALA   3 -10.128  -6.734  19.531
   21    HA   ALA   3           HA       ALA   3  -8.652  -5.357  17.432
   22    HB1  ALA   3           1HB      ALA   3  -7.479  -5.953  19.489
   23    HB2  ALA   3           2HB      ALA   3  -6.773  -6.751  18.085
   24    HB3  ALA   3           3HB      ALA   3  -7.807  -7.659  19.189
   25    H    ILE   4           HN       ILE   4  -9.542  -5.880  15.522
   26    HA   ILE   4           HA       ILE   4 -10.653  -8.308  14.746
   27    HB   ILE   4           HB       ILE   4  -9.288  -6.256  13.002
   28   HG12  ILE   4          2HG1      ILE   4 -11.063  -5.272  14.344
   29   HG13  ILE   4          1HG1      ILE   4 -11.577  -5.385  12.666
   30   HG21  ILE   4          1HG2      ILE   4  -9.577  -8.351  11.808
   31   HG22  ILE   4          2HG2      ILE   4 -10.698  -7.135  11.196
   32   HG23  ILE   4          3HG2      ILE   4 -11.278  -8.402  12.276
   33   HD11  ILE   4          3HD1      ILE   4 -13.378  -5.988  14.157
   34   HD12  ILE   4          1HD1      ILE   4 -12.377  -7.237  14.894
   35   HD13  ILE   4          2HD1      ILE   4 -12.878  -7.390  13.210
   36    H    THR   5           HN       THR   5  -7.324  -7.249  14.731
   37    HA   THR   5           HA       THR   5  -6.181  -9.154  13.060
   38    HB   THR   5           HB       THR   5  -4.177  -8.758  14.773
   39    HG1  THR   5           1HG      THR   5  -4.571  -7.224  16.196
   40   HG21  THR   5          3HG2      THR   5  -5.276  -6.621  12.937
   41   HG22  THR   5          1HG2      THR   5  -4.251  -7.972  12.449
   42   HG23  THR   5          2HG2      THR   5  -3.616  -6.727  13.523
   43    H    GLU   6           HN       GLU   6  -7.131  -9.412  16.465
   44    HA   GLU   6           HA       GLU   6  -5.628 -11.743  17.007
   45    HB2  GLU   6           2HB      GLU   6  -8.050 -10.585  18.370
   46    HB3  GLU   6           1HB      GLU   6  -7.184 -11.994  18.963
   47    HG2  GLU   6           2HG      GLU   6  -5.108 -10.508  18.930
   48    HG3  GLU   6           1HG      GLU   6  -6.237  -9.163  18.769
   49    H    ARG   7           HN       ARG   7  -9.054 -11.313  16.092
   50    HA   ARG   7           HA       ARG   7  -9.601 -14.096  16.131
   51    HB2  ARG   7           2HB      ARG   7 -11.657 -13.585  14.920
   52    HB3  ARG   7           1HB      ARG   7 -11.427 -12.481  16.260
   53    HG2  ARG   7           2HG      ARG   7 -10.844 -10.702  14.816
   54    HG3  ARG   7           1HG      ARG   7 -10.692 -11.785  13.433
   55    HD2  ARG   7           2HD      ARG   7 -13.261 -11.300  14.932
   56    HD3  ARG   7           1HD      ARG   7 -12.798 -10.445  13.461
   57    HE   ARG   7           HE       ARG   7 -12.666 -12.826  12.492
   58   HH11  ARG   7          1HH1      ARG   7 -14.963 -11.786  14.942
   59   HH12  ARG   7          2HH1      ARG   7 -16.175 -12.942  14.461
   60   HH21  ARG   7          1HH2      ARG   7 -14.261 -14.323  11.868
   61   HH22  ARG   7          2HH2      ARG   7 -15.779 -14.370  12.708
   62    H    LEU   8           HN       LEU   8  -8.331 -11.912  13.725
   63    HA   LEU   8           HA       LEU   8  -8.445 -13.655  11.506
   64    HB2  LEU   8           2HB      LEU   8  -6.528 -11.411  12.142
   65    HB3  LEU   8           1HB      LEU   8  -6.622 -12.221  10.588
   66    HG   LEU   8           HG       LEU   8  -8.859 -10.632  11.858
   67   HD11  LEU   8          1HD1      LEU   8  -7.004  -9.206  11.170
   68   HD12  LEU   8          2HD1      LEU   8  -8.397  -8.984  10.115
   69   HD13  LEU   8          3HD1      LEU   8  -7.021  -9.940   9.569
   70   HD21  LEU   8          3HD2      LEU   8  -9.660 -12.436  10.423
   71   HD22  LEU   8          1HD2      LEU   8  -8.620 -11.868   9.118
   72   HD23  LEU   8          2HD2      LEU   8  -9.948 -10.858   9.689
   73    H    GLU   9           HN       GLU   9  -5.961 -13.119  13.995
   74    HA   GLU   9           HA       GLU   9  -4.083 -14.969  13.016
   75    HB2  GLU   9           2HB      GLU   9  -4.652 -14.200  15.885
   76    HB3  GLU   9           1HB      GLU   9  -3.223 -15.060  15.332
   77    HG2  GLU   9           2HG      GLU   9  -2.576 -13.125  13.992
   78    HG3  GLU   9           1HG      GLU   9  -4.015 -12.266  14.544
   79    H    ALA  10           HN       ALA  10  -6.889 -15.359  15.109
   80    HA   ALA  10           HA       ALA  10  -6.384 -18.034  15.862
   81    HB1  ALA  10           1HB      ALA  10  -8.660 -18.044  16.694
   82    HB2  ALA  10           2HB      ALA  10  -9.013 -16.567  15.794
   83    HB3  ALA  10           3HB      ALA  10  -7.851 -16.537  17.121
   84    H    MET  11           HN       MET  11  -8.302 -16.624  13.225
   85    HA   MET  11           HA       MET  11  -9.588 -18.994  12.462
   86    HB2  MET  11           2HB      MET  11 -10.279 -17.844  10.502
   87    HB3  MET  11           1HB      MET  11 -10.266 -16.673  11.803
   88    HG2  MET  11           2HG      MET  11  -8.050 -15.897  10.990
   89    HG3  MET  11           1HG      MET  11  -8.235 -16.979   9.612
   90    HE1  MET  11           3HE      MET  11 -10.332 -16.801   7.922
   91    HE2  MET  11           1HE      MET  11 -11.474 -15.455   7.928
   92    HE3  MET  11           2HE      MET  11 -11.499 -16.637   9.235
   93    H    LEU  12           HN       LEU  12  -6.382 -17.813  11.759
   94    HA   LEU  12           HA       LEU  12  -5.756 -19.462   9.581
   95    HB2  LEU  12           2HB      LEU  12  -4.198 -18.086  11.691
   96    HB3  LEU  12           1HB      LEU  12  -3.399 -19.416  10.874
   97    HG   LEU  12           HG       LEU  12  -3.796 -18.303   8.704
   98   HD11  LEU  12          1HD1      LEU  12  -4.810 -16.016  10.378
   99   HD12  LEU  12          2HD1      LEU  12  -5.782 -17.019   9.301
  100   HD13  LEU  12          3HD1      LEU  12  -4.515 -15.983   8.639
  101   HD21  LEU  12          3HD2      LEU  12  -2.147 -16.540   8.987
  102   HD22  LEU  12          1HD2      LEU  12  -1.693 -17.984   9.891
  103   HD23  LEU  12          2HD2      LEU  12  -2.376 -16.596  10.735
  104    H    ALA  13           HN       ALA  13  -5.599 -20.057  13.062
  105    HA   ALA  13           HA       ALA  13  -4.596 -22.732  12.762
  106    HB1  ALA  13           1HB      ALA  13  -4.892 -22.899  15.176
  107    HB2  ALA  13           2HB      ALA  13  -5.777 -21.375  15.184
  108    HB3  ALA  13           3HB      ALA  13  -4.071 -21.402  14.743
  109    H    GLN  14           HN       GLN  14  -7.585 -21.358  12.308
  110    HA   GLN  14           HA       GLN  14  -9.112 -23.718  13.072
  111    HB2  GLN  14           2HB      GLN  14  -9.904 -21.045  11.911
  112    HB3  GLN  14           1HB      GLN  14 -11.045 -22.356  12.179
  113    HG2  GLN  14           2HG      GLN  14  -9.383 -21.041  14.321
  114    HG3  GLN  14           1HG      GLN  14 -11.078 -20.685  13.978
  115   HE21  GLN  14          1HE2      GLN  14  -8.842 -22.994  15.296
  116   HE22  GLN  14          2HE2      GLN  14 -10.019 -24.007  16.052
  117    H    GLY  15           HN       GLY  15  -7.146 -23.019  10.614
  118    HA2  GLY  15           2HA      GLY  15  -6.859 -24.182   8.624
  119    HA3  GLY  15           1HA      GLY  15  -8.451 -24.899   8.847
  120    H    THR  16           HN       THR  16  -7.140 -21.622   8.402
  121    HA   THR  16           HA       THR  16  -8.660 -21.312   5.966
  122    HB   THR  16           HB       THR  16  -9.183 -19.451   8.295
  123    HG1  THR  16           1HG      THR  16 -10.297 -21.792   7.697
  124   HG21  THR  16          3HG2      THR  16  -9.222 -18.322   6.117
  125   HG22  THR  16          1HG2      THR  16 -10.842 -18.426   6.807
  126   HG23  THR  16          2HG2      THR  16 -10.362 -19.523   5.513
  127    H    ASP  17           HN       ASP  17  -6.903 -20.828   4.792
  128    HA   ASP  17           HA       ASP  17  -5.622 -18.247   5.383
  129    HB2  ASP  17           2HB      ASP  17  -3.963 -19.878   6.018
  130    HB3  ASP  17           1HB      ASP  17  -4.203 -20.778   4.524
  131    H    ASN  18           HN       ASN  18  -6.111 -16.916   3.773
  132    HA   ASN  18           HA       ASN  18  -6.101 -17.949   1.023
  133    HB2  ASN  18           2HB      ASN  18  -8.225 -16.179   2.254
  134    HB3  ASN  18           1HB      ASN  18  -8.032 -16.394   0.520
  135   HD21  ASN  18          1HD2      ASN  18  -9.235 -17.728   3.441
  136   HD22  ASN  18          2HD2      ASN  18  -9.931 -19.162   2.756
  137    H    MET  19           HN       MET  19  -5.976 -16.148  -0.600
  138    HA   MET  19           HA       MET  19  -3.775 -14.470  -0.002
  139    HB2  MET  19           2HB      MET  19  -4.355 -15.328  -2.275
  140    HB3  MET  19           1HB      MET  19  -5.742 -14.252  -2.294
  141    HG2  MET  19           2HG      MET  19  -2.946 -13.223  -1.955
  142    HG3  MET  19           1HG      MET  19  -3.646 -13.518  -3.543
  143    HE1  MET  19           3HE      MET  19  -3.134 -11.017  -4.189
  144    HE2  MET  19           1HE      MET  19  -2.486 -10.670  -2.583
  145    HE3  MET  19           2HE      MET  19  -3.713  -9.617  -3.283
  146    H    LEU  20           HN       LEU  20  -7.224 -13.828  -0.460
  147    HA   LEU  20           HA       LEU  20  -7.191 -11.078   0.050
  148    HB2  LEU  20           2HB      LEU  20  -9.085 -12.284  -0.946
  149    HB3  LEU  20           1HB      LEU  20  -9.379 -13.088   0.582
  150    HG   LEU  20           HG       LEU  20  -9.885 -10.882   1.609
  151   HD11  LEU  20          1HD1      LEU  20  -8.604  -9.453   0.117
  152   HD12  LEU  20          2HD1      LEU  20 -10.303  -8.971   0.123
  153   HD13  LEU  20          3HD1      LEU  20  -9.651  -9.895  -1.233
  154   HD21  LEU  20          3HD2      LEU  20 -11.520 -11.618  -0.817
  155   HD22  LEU  20          1HD2      LEU  20 -12.067 -10.611   0.525
  156   HD23  LEU  20          2HD2      LEU  20 -11.678 -12.310   0.799
  157    H    LEU  21           HN       LEU  21  -7.184 -13.825   2.206
  158    HA   LEU  21           HA       LEU  21  -7.882 -12.461   4.589
  159    HB2  LEU  21           2HB      LEU  21  -7.976 -14.925   4.301
  160    HB3  LEU  21           1HB      LEU  21  -6.227 -14.972   4.241
  161    HG   LEU  21           HG       LEU  21  -7.631 -13.872   6.659
  162   HD11  LEU  21          1HD1      LEU  21  -7.592 -16.106   7.629
  163   HD12  LEU  21          2HD1      LEU  21  -7.015 -16.769   6.100
  164   HD13  LEU  21          3HD1      LEU  21  -8.625 -16.056   6.201
  165   HD21  LEU  21          3HD2      LEU  21  -4.998 -15.296   6.262
  166   HD22  LEU  21          1HD2      LEU  21  -5.611 -14.652   7.786
  167   HD23  LEU  21          2HD2      LEU  21  -5.207 -13.556   6.464
  168    H    ARG  22           HN       ARG  22  -4.762 -13.346   3.143
  169    HA   ARG  22           HA       ARG  22  -3.127 -12.205   5.137
  170    HB2  ARG  22           2HB      ARG  22  -2.474 -12.511   2.197
  171    HB3  ARG  22           1HB      ARG  22  -1.325 -12.394   3.526
  172    HG2  ARG  22           2HG      ARG  22  -1.968 -14.533   4.365
  173    HG3  ARG  22           1HG      ARG  22  -3.320 -14.628   3.235
  174    HD2  ARG  22           2HD      ARG  22  -1.529 -14.441   1.403
  175    HD3  ARG  22           1HD      ARG  22  -0.378 -14.839   2.680
  176    HE   ARG  22           HE       ARG  22  -1.849 -16.891   3.013
  177   HH11  ARG  22          1HH1      ARG  22  -1.445 -15.308  -0.088
  178   HH12  ARG  22          2HH1      ARG  22  -1.824 -16.729  -1.014
  179   HH21  ARG  22          1HH2      ARG  22  -2.323 -18.770   1.808
  180   HH22  ARG  22          2HH2      ARG  22  -2.291 -18.706   0.062
  181    H    PHE  23           HN       PHE  23  -4.583 -10.908   2.213
  182    HA   PHE  23           HA       PHE  23  -3.393  -8.346   2.310
  183    HB2  PHE  23           2HB      PHE  23  -4.503  -9.212   0.299
  184    HB3  PHE  23           1HB      PHE  23  -6.048  -9.211   1.140
  185    HD1  PHE  23           2HD      PHE  23  -3.362  -7.032  -0.164
  186    HD2  PHE  23           1HD      PHE  23  -7.369  -7.270   1.253
  187    HE1  PHE  23           2HE      PHE  23  -3.764  -4.725  -0.917
  188    HE2  PHE  23           1HE      PHE  23  -7.775  -4.965   0.499
  189    HZ   PHE  23           HZ       PHE  23  -5.972  -3.689  -0.584
  190    H    THR  24           HN       THR  24  -6.366  -9.677   3.680
  191    HA   THR  24           HA       THR  24  -7.421  -7.323   4.781
  192    HB   THR  24           HB       THR  24  -7.668 -10.173   5.773
  193    HG1  THR  24           1HG      THR  24  -8.460  -9.782   3.631
  194   HG21  THR  24          3HG2      THR  24  -9.372  -7.761   6.408
  195   HG22  THR  24          1HG2      THR  24  -8.275  -8.568   7.525
  196   HG23  THR  24          2HG2      THR  24  -9.694  -9.418   6.918
  197    H    LEU  25           HN       LEU  25  -5.033  -9.617   6.009
  198    HA   LEU  25           HA       LEU  25  -4.728  -8.537   8.582
  199    HB2  LEU  25           2HB      LEU  25  -2.750  -9.945   6.793
  200    HB3  LEU  25           1HB      LEU  25  -2.423  -9.532   8.465
  201    HG   LEU  25           HG       LEU  25  -4.613 -11.386   7.529
  202   HD11  LEU  25          1HD1      LEU  25  -2.392 -12.349   7.222
  203   HD12  LEU  25          2HD1      LEU  25  -3.253 -13.141   8.545
  204   HD13  LEU  25          3HD1      LEU  25  -1.991 -11.961   8.897
  205   HD21  LEU  25          3HD2      LEU  25  -3.649 -10.693  10.297
  206   HD22  LEU  25          1HD2      LEU  25  -4.882 -11.889   9.898
  207   HD23  LEU  25          2HD2      LEU  25  -5.175 -10.180   9.576
  208    H    GLY  26           HN       GLY  26  -2.965  -7.862   5.560
  209    HA2  GLY  26           2HA      GLY  26  -1.263  -5.879   6.580
  210    HA3  GLY  26           1HA      GLY  26  -1.757  -6.024   4.899
  211    H    LYS  27           HN       LYS  27  -4.479  -5.611   5.124
  212    HA   LYS  27           HA       LYS  27  -4.734  -2.840   5.121
  213    HB2  LYS  27           2HB      LYS  27  -6.317  -4.453   4.063
  214    HB3  LYS  27           1HB      LYS  27  -6.914  -4.863   5.667
  215    HG2  LYS  27           2HG      LYS  27  -8.477  -3.342   4.901
  216    HG3  LYS  27           1HG      LYS  27  -7.406  -2.341   5.882
  217    HD2  LYS  27           2HD      LYS  27  -6.164  -1.807   3.751
  218    HD3  LYS  27           1HD      LYS  27  -7.495  -2.575   2.884
  219    HE2  LYS  27           2HE      LYS  27  -7.612  -0.147   4.660
  220    HE3  LYS  27           1HE      LYS  27  -7.890  -0.218   2.924
  221    HZ1  LYS  27           3HZ      LYS  27  -9.613  -1.451   5.013
  222    HZ2  LYS  27           1HZ      LYS  27  -9.870  -1.558   3.336
  223    HZ3  LYS  27           2HZ      LYS  27  -9.960  -0.056   4.115
  224    H    THR  28           HN       THR  28  -5.611  -5.183   7.639
  225    HA   THR  28           HA       THR  28  -6.717  -3.310   9.422
  226    HB   THR  28           HB       THR  28  -5.501  -5.986  10.125
  227    HG1  THR  28           1HG      THR  28  -7.031  -6.375   8.556
  228   HG21  THR  28          3HG2      THR  28  -7.116  -5.963  11.964
  229   HG22  THR  28          1HG2      THR  28  -7.674  -4.367  11.462
  230   HG23  THR  28          2HG2      THR  28  -6.028  -4.577  12.062
  231    H    TYR  29           HN       TYR  29  -3.455  -4.698   9.185
  232    HA   TYR  29           HA       TYR  29  -2.433  -3.419  11.487
  233    HB2  TYR  29           2HB      TYR  29  -1.157  -4.616   9.049
  234    HB3  TYR  29           1HB      TYR  29  -0.180  -3.718  10.206
  235    HD1  TYR  29           2HD      TYR  29   0.103  -4.569  12.507
  236    HD2  TYR  29           1HD      TYR  29  -1.986  -6.801   9.554
  237    HE1  TYR  29           2HE      TYR  29   0.319  -6.591  13.892
  238    HE2  TYR  29           1HE      TYR  29  -1.775  -8.828  10.922
  239    HH   TYR  29           HH       TYR  29  -0.518  -8.722  14.192
  240    H    ALA  30           HN       ALA  30  -2.647  -2.421   8.104
  241    HA   ALA  30           HA       ALA  30  -1.042  -0.097   8.363
  242    HB1  ALA  30           1HB      ALA  30  -1.988   0.578   6.217
  243    HB2  ALA  30           2HB      ALA  30  -3.224  -0.672   6.357
  244    HB3  ALA  30           3HB      ALA  30  -1.529  -1.124   6.194
  245    H    GLU  31           HN       GLU  31  -4.520  -0.660   8.621
  246    HA   GLU  31           HA       GLU  31  -5.276   2.026   9.048
  247    HB2  GLU  31           2HB      GLU  31  -6.560  -0.586   9.845
  248    HB3  GLU  31           1HB      GLU  31  -7.320   0.978  10.113
  249    HG2  GLU  31           2HG      GLU  31  -6.439   0.018   7.407
  250    HG3  GLU  31           1HG      GLU  31  -8.053  -0.257   8.053
  251    H    HIS  32           HN       HIS  32  -3.872  -0.370  11.121
  252    HA   HIS  32           HA       HIS  32  -4.424   1.189  13.522
  253    HB2  HIS  32           2HB      HIS  32  -3.433  -1.557  12.975
  254    HB3  HIS  32           1HB      HIS  32  -2.879  -0.786  14.459
  255    HD1  HIS  32           1HD      HIS  32  -4.379  -1.003  16.403
  256    HD2  HIS  32           2HD      HIS  32  -6.400  -1.560  12.815
  257    HE1  HIS  32           1HE      HIS  32  -6.725  -1.645  17.043
  258    HE2  HIS  32           2HE      HIS  32  -7.982  -1.680  14.858
  259    H    GLU  33           HN       GLU  33  -2.392   1.681  11.150
  260    HA   GLU  33           HA       GLU  33  -0.522   2.942  10.922
  261    HB2  GLU  33           2HB      GLU  33  -1.578   4.105  12.961
  262    HB3  GLU  33           1HB      GLU  33  -0.383   3.240  13.915
  263    HG2  GLU  33           2HG      GLU  33   1.410   4.345  12.800
  264    HG3  GLU  33           1HG      GLU  33   0.300   5.071  11.635
  265    H    GLN  34           HN       GLN  34  -0.603   0.003  11.772
  266    HA   GLN  34           HA       GLN  34   2.126  -0.401  12.736
  267    HB2  GLN  34           2HB      GLN  34  -0.043  -2.386  11.994
  268    HB3  GLN  34           1HB      GLN  34   1.518  -2.807  12.681
  269    HG2  GLN  34           2HG      GLN  34  -0.489  -1.052  14.069
  270    HG3  GLN  34           1HG      GLN  34  -0.412  -2.799  14.277
  271   HE21  GLN  34          1HE2      GLN  34   0.084  -2.711  16.425
  272   HE22  GLN  34          2HE2      GLN  34   1.614  -2.159  17.031
  273    H    PHE  35           HN       PHE  35   2.188   0.933  10.432
  274    HA   PHE  35           HA       PHE  35   1.810  -0.307   8.011
  275    HB2  PHE  35           2HB      PHE  35   3.904   1.732   8.763
  276    HB3  PHE  35           1HB      PHE  35   3.477   1.305   7.107
  277    HD1  PHE  35           2HD      PHE  35   1.038   1.625   6.407
  278    HD2  PHE  35           1HD      PHE  35   2.734   3.394   9.884
  279    HE1  PHE  35           2HE      PHE  35  -0.779   3.282   6.442
  280    HE2  PHE  35           1HE      PHE  35   0.918   5.055   9.928
  281    HZ   PHE  35           HZ       PHE  35  -0.838   5.002   8.205
  282    H    ASP  36           HN       ASP  36   4.784  -0.382   9.973
  283    HA   ASP  36           HA       ASP  36   6.390  -1.761   8.131
  284    HB2  ASP  36           2HB      ASP  36   7.207  -0.655  10.215
  285    HB3  ASP  36           1HB      ASP  36   6.515  -1.975  11.145
  286    H    ALA  37           HN       ALA  37   4.304  -2.933  10.701
  287    HA   ALA  37           HA       ALA  37   4.875  -5.692  10.333
  288    HB1  ALA  37           1HB      ALA  37   4.031  -4.783  12.450
  289    HB2  ALA  37           2HB      ALA  37   3.017  -6.094  11.844
  290    HB3  ALA  37           3HB      ALA  37   2.492  -4.417  11.672
  291    H    ALA  38           HN       ALA  38   2.612  -3.481   8.889
  292    HA   ALA  38           HA       ALA  38   0.845  -5.389   7.771
  293    HB1  ALA  38           1HB      ALA  38   1.509  -2.618   6.777
  294    HB2  ALA  38           2HB      ALA  38   0.273  -3.016   7.972
  295    HB3  ALA  38           3HB      ALA  38   0.108  -3.585   6.310
  296    H    LEU  39           HN       LEU  39   3.896  -4.012   6.714
  297    HA   LEU  39           HA       LEU  39   3.827  -4.492   4.007
  298    HB2  LEU  39           2HB      LEU  39   6.168  -4.551   5.896
  299    HB3  LEU  39           1HB      LEU  39   6.329  -4.588   4.153
  300    HG   LEU  39           HG       LEU  39   5.018  -2.354   5.695
  301   HD11  LEU  39          1HD1      LEU  39   7.039  -1.077   5.174
  302   HD12  LEU  39          2HD1      LEU  39   7.764  -2.519   4.463
  303   HD13  LEU  39          3HD1      LEU  39   7.397  -2.476   6.186
  304   HD21  LEU  39          3HD2      LEU  39   5.182  -1.147   3.563
  305   HD22  LEU  39          1HD2      LEU  39   4.169  -2.583   3.428
  306   HD23  LEU  39          2HD2      LEU  39   5.817  -2.605   2.795
  307    HA   PRO  40           HA       PRO  40   5.946  -8.843   4.544
  308    HB2  PRO  40           2HB      PRO  40   5.446 -10.116   6.934
  309    HB3  PRO  40           1HB      PRO  40   6.933  -9.238   6.563
  310    HG2  PRO  40           2HG      PRO  40   4.541  -8.351   8.111
  311    HG3  PRO  40           1HG      PRO  40   6.261  -8.062   8.436
  312    HD2  PRO  40           2HD      PRO  40   4.688  -6.167   7.355
  313    HD3  PRO  40           1HD      PRO  40   6.394  -6.339   6.899
  314    H    HIS  41           HN       HIS  41   2.913  -8.148   6.185
  315    HA   HIS  41           HA       HIS  41   1.688 -10.645   5.523
  316    HB2  HIS  41           2HB      HIS  41   0.531  -8.012   6.453
  317    HB3  HIS  41           1HB      HIS  41  -0.449  -9.446   6.157
  318    HD1  HIS  41           1HD      HIS  41   1.783  -7.886   8.666
  319    HD2  HIS  41           2HD      HIS  41   0.057 -11.610   7.965
  320    HE1  HIS  41           1HE      HIS  41   2.009  -9.157  10.823
  321    HE2  HIS  41           2HE      HIS  41   1.118 -11.458  10.327
  322    H    LEU  42           HN       LEU  42   1.722  -7.419   4.095
  323    HA   LEU  42           HA       LEU  42  -0.109  -8.033   1.998
  324    HB2  LEU  42           2HB      LEU  42   1.964  -5.855   2.266
  325    HB3  LEU  42           1HB      LEU  42   0.820  -5.956   0.943
  326    HG   LEU  42           HG       LEU  42   0.082  -5.614   3.853
  327   HD11  LEU  42          1HD1      LEU  42   1.167  -3.632   2.933
  328   HD12  LEU  42          2HD1      LEU  42  -0.553  -3.347   3.195
  329   HD13  LEU  42          3HD1      LEU  42   0.054  -3.646   1.566
  330   HD21  LEU  42          3HD2      LEU  42  -1.607  -6.832   2.580
  331   HD22  LEU  42          1HD2      LEU  42  -1.612  -5.561   1.357
  332   HD23  LEU  42          2HD2      LEU  42  -2.169  -5.213   2.993
  333    H    ARG  43           HN       ARG  43   3.421  -8.004   2.270
  334    HA   ARG  43           HA       ARG  43   3.965  -8.651  -0.407
  335    HB2  ARG  43           2HB      ARG  43   5.501  -8.862   2.156
  336    HB3  ARG  43           1HB      ARG  43   6.155  -9.524   0.669
  337    HG2  ARG  43           2HG      ARG  43   6.065  -7.351  -0.389
  338    HG3  ARG  43           1HG      ARG  43   5.296  -6.670   1.045
  339    HD2  ARG  43           2HD      ARG  43   7.726  -6.183   0.881
  340    HD3  ARG  43           1HD      ARG  43   7.264  -7.032   2.356
  341    HE   ARG  43           HE       ARG  43   8.275  -9.002   1.503
  342   HH11  ARG  43          1HH1      ARG  43   8.782  -6.185  -0.531
  343   HH12  ARG  43          2HH1      ARG  43  10.141  -6.874  -1.365
  344   HH21  ARG  43          1HH2      ARG  43  10.094  -9.877   0.435
  345   HH22  ARG  43          2HH2      ARG  43  10.921  -8.939  -0.774
  346    H    ALA  44           HN       ALA  44   3.194 -10.626   2.393
  347    HA   ALA  44           HA       ALA  44   3.842 -13.141   1.285
  348    HB1  ALA  44           1HB      ALA  44   3.413 -12.795   3.682
  349    HB2  ALA  44           2HB      ALA  44   2.405 -14.075   3.011
  350    HB3  ALA  44           3HB      ALA  44   1.715 -12.483   3.324
  351    H    ALA  45           HN       ALA  45   0.901 -11.177   1.218
  352    HA   ALA  45           HA       ALA  45  -0.690 -13.053  -0.195
  353    HB1  ALA  45           1HB      ALA  45  -2.200 -11.180  -0.601
  354    HB2  ALA  45           2HB      ALA  45  -0.962 -10.050  -0.052
  355    HB3  ALA  45           3HB      ALA  45  -1.665 -11.207   1.077
  356    H    LEU  46           HN       LEU  46   1.237 -10.255  -1.204
  357    HA   LEU  46           HA       LEU  46   0.647 -10.443  -3.962
  358    HB2  LEU  46           2HB      LEU  46   2.951  -9.151  -2.510
  359    HB3  LEU  46           1HB      LEU  46   2.676  -8.987  -4.233
  360    HG   LEU  46           HG       LEU  46   0.794  -8.055  -2.065
  361   HD11  LEU  46          1HD1      LEU  46   1.421  -5.810  -2.815
  362   HD12  LEU  46          2HD1      LEU  46   2.602  -6.516  -3.921
  363   HD13  LEU  46          3HD1      LEU  46   2.806  -6.698  -2.177
  364   HD21  LEU  46          3HD2      LEU  46  -0.382  -8.755  -4.089
  365   HD22  LEU  46          1HD2      LEU  46   0.664  -7.716  -5.059
  366   HD23  LEU  46          2HD2      LEU  46  -0.441  -7.005  -3.884
  367    H    ASP  47           HN       ASP  47   2.936 -12.079  -1.942
  368    HA   ASP  47           HA       ASP  47   4.784 -12.948  -3.846
  369    HB2  ASP  47           2HB      ASP  47   4.997 -13.255  -1.382
  370    HB3  ASP  47           1HB      ASP  47   3.765 -14.507  -1.461
  371    H    PHE  48           HN       PHE  48   1.715 -14.354  -2.817
  372    HA   PHE  48           HA       PHE  48   1.939 -16.551  -4.675
  373    HB2  PHE  48           2HB      PHE  48  -0.256 -15.666  -2.804
  374    HB3  PHE  48           1HB      PHE  48  -0.424 -17.040  -3.890
  375    HD1  PHE  48           1HD      PHE  48   1.474 -15.727  -1.000
  376    HD2  PHE  48           2HD      PHE  48   0.524 -19.132  -3.373
  377    HE1  PHE  48           1HE      PHE  48   2.513 -17.184   0.684
  378    HE2  PHE  48           2HE      PHE  48   1.568 -20.596  -1.689
  379    HZ   PHE  48           HZ       PHE  48   2.563 -19.620   0.344
  380    H    ASP  49           HN       ASP  49  -0.012 -13.593  -4.400
  381    HA   ASP  49           HA       ASP  49  -0.575 -13.801  -7.264
  382    HB2  ASP  49           2HB      ASP  49  -2.518 -14.688  -5.811
  383    HB3  ASP  49           1HB      ASP  49  -2.776 -13.000  -5.378
  384    HA   PRO  50           HA       PRO  50   0.937  -9.634  -6.165
  385    HB2  PRO  50           2HB      PRO  50   2.233  -9.217  -8.502
  386    HB3  PRO  50           1HB      PRO  50   2.931 -10.154  -7.176
  387    HG2  PRO  50           2HG      PRO  50   1.568 -11.112  -9.659
  388    HG3  PRO  50           1HG      PRO  50   3.042 -11.723  -8.886
  389    HD2  PRO  50           2HD      PRO  50   0.624 -12.920  -8.594
  390    HD3  PRO  50           1HD      PRO  50   1.869 -12.943  -7.327
  391    H    THR  51           HN       THR  51  -1.407 -10.734  -8.231
  392    HA   THR  51           HA       THR  51  -1.562  -8.478 -10.020
  393    HB   THR  51           HB       THR  51  -3.817 -10.401  -9.832
  394    HG1  THR  51           1HG      THR  51  -2.242 -11.904  -9.563
  395   HG21  THR  51          3HG2      THR  51  -2.136  -9.396 -12.138
  396   HG22  THR  51          1HG2      THR  51  -3.683  -8.720 -11.623
  397   HG23  THR  51          2HG2      THR  51  -3.607 -10.359 -12.271
  398    H    TYR  52           HN       TYR  52  -2.167  -8.321  -6.939
  399    HA   TYR  52           HA       TYR  52  -4.925  -7.373  -7.071
  400    HB2  TYR  52           2HB      TYR  52  -3.633  -8.732  -5.110
  401    HB3  TYR  52           1HB      TYR  52  -3.447  -7.078  -4.531
  402    HD1  TYR  52           2HD      TYR  52  -5.872  -9.695  -5.426
  403    HD2  TYR  52           1HD      TYR  52  -5.340  -5.848  -3.685
  404    HE1  TYR  52           2HE      TYR  52  -8.169  -9.781  -4.559
  405    HE2  TYR  52           1HE      TYR  52  -7.641  -5.921  -2.813
  406    HH   TYR  52           HH       TYR  52  -9.767  -7.058  -3.323
  407    H    SER  53           HN       SER  53  -4.941  -5.483  -8.099
  408    HA   SER  53           HA       SER  53  -2.978  -3.554  -8.201
  409    HB2  SER  53           2HB      SER  53  -5.949  -3.099  -8.498
  410    HB3  SER  53           1HB      SER  53  -4.655  -2.125  -9.196
  411    HG   SER  53           HG       SER  53  -5.446  -3.557 -10.747
  412    H    VAL  54           HN       VAL  54  -5.677  -3.800  -5.915
  413    HA   VAL  54           HA       VAL  54  -5.487  -1.261  -4.758
  414    HB   VAL  54           HB       VAL  54  -6.279  -3.847  -3.395
  415   HG11  VAL  54          1HG1      VAL  54  -5.767  -2.133  -1.762
  416   HG12  VAL  54          2HG1      VAL  54  -7.510  -2.394  -1.835
  417   HG13  VAL  54          3HG1      VAL  54  -6.796  -0.981  -2.611
  418   HG21  VAL  54          3HG2      VAL  54  -8.563  -3.201  -3.910
  419   HG22  VAL  54          1HG2      VAL  54  -7.615  -3.334  -5.391
  420   HG23  VAL  54          2HG2      VAL  54  -7.988  -1.744  -4.721
  421    H    ALA  55           HN       ALA  55  -3.643  -4.197  -4.162
  422    HA   ALA  55           HA       ALA  55  -2.380  -3.333  -1.776
  423    HB1  ALA  55           1HB      ALA  55  -1.467  -5.407  -3.771
  424    HB2  ALA  55           2HB      ALA  55  -2.517  -5.694  -2.381
  425    HB3  ALA  55           3HB      ALA  55  -0.843  -5.197  -2.134
  426    H    TRP  56           HN       TRP  56  -1.719  -2.828  -5.165
  427    HA   TRP  56           HA       TRP  56   0.980  -1.954  -4.871
  428    HB2  TRP  56           2HB      TRP  56  -0.921  -1.081  -7.052
  429    HB3  TRP  56           1HB      TRP  56   0.831  -1.185  -7.130
  430    HD1  TRP  56           1HD      TRP  56   0.622  -4.307  -5.768
  431    HE1  TRP  56           1HE      TRP  56   0.102  -6.200  -7.429
  432    HE3  TRP  56           3HE      TRP  56  -1.310  -1.523  -9.592
  433    HZ2  TRP  56           2HZ      TRP  56  -0.986  -6.478 -10.002
  434    HZ3  TRP  56           3HZ      TRP  56  -2.078  -2.689 -11.616
  435    HH2  TRP  56           2HH      TRP  56  -1.918  -5.112 -11.816
  436    H    LYS  57           HN       LYS  57  -2.141  -0.339  -5.062
  437    HA   LYS  57           HA       LYS  57  -1.206   2.312  -4.877
  438    HB2  LYS  57           2HB      LYS  57  -3.379   1.938  -5.734
  439    HB3  LYS  57           1HB      LYS  57  -3.857   0.997  -4.340
  440    HG2  LYS  57           2HG      LYS  57  -3.732   3.069  -2.970
  441    HG3  LYS  57           1HG      LYS  57  -3.425   3.967  -4.459
  442    HD2  LYS  57           2HD      LYS  57  -5.552   3.229  -5.370
  443    HD3  LYS  57           1HD      LYS  57  -5.848   2.250  -3.934
  444    HE2  LYS  57           2HE      LYS  57  -5.809   4.307  -2.568
  445    HE3  LYS  57           1HE      LYS  57  -5.620   5.253  -4.044
  446    HZ1  LYS  57           3HZ      LYS  57  -7.937   3.534  -3.324
  447    HZ2  LYS  57           1HZ      LYS  57  -7.754   4.324  -4.815
  448    HZ3  LYS  57           2HZ      LYS  57  -7.913   5.226  -3.390
  449    H    TRP  58           HN       TRP  58  -2.190  -0.051  -2.445
  450    HA   TRP  58           HA       TRP  58  -1.976   1.769  -0.254
  451    HB2  TRP  58           2HB      TRP  58  -2.544  -1.109  -0.596
  452    HB3  TRP  58           1HB      TRP  58  -1.816  -0.652   0.940
  453    HD1  TRP  58           1HD      TRP  58  -5.067  -0.443  -0.995
  454    HE1  TRP  58           1HE      TRP  58  -6.892   0.565   0.527
  455    HE3  TRP  58           3HE      TRP  58  -2.115   1.045   2.912
  456    HZ2  TRP  58           2HZ      TRP  58  -7.033   1.834   3.044
  457    HZ3  TRP  58           3HZ      TRP  58  -3.179   2.144   4.840
  458    HH2  TRP  58           2HH      TRP  58  -5.588   2.528   4.907
  459    H    LEU  59           HN       LEU  59   0.251  -0.339  -1.904
  460    HA   LEU  59           HA       LEU  59   2.157  -0.758   0.080
  461    HB2  LEU  59           2HB      LEU  59   1.953  -1.639  -2.378
  462    HB3  LEU  59           1HB      LEU  59   2.954  -0.259  -2.769
  463    HG   LEU  59           HG       LEU  59   4.207  -2.393  -2.514
  464   HD11  LEU  59          1HD1      LEU  59   4.924  -0.245  -0.529
  465   HD12  LEU  59          2HD1      LEU  59   5.360  -0.275  -2.237
  466   HD13  LEU  59          3HD1      LEU  59   6.011  -1.492  -1.138
  467   HD21  LEU  59          3HD2      LEU  59   4.593  -3.256  -0.249
  468   HD22  LEU  59          1HD2      LEU  59   2.905  -3.402  -0.745
  469   HD23  LEU  59          2HD2      LEU  59   3.389  -2.127   0.372
  470    H    GLY  60           HN       GLY  60   2.018   1.860  -2.337
  471    HA2  GLY  60           2HA      GLY  60   4.260   3.279  -1.386
  472    HA3  GLY  60           1HA      GLY  60   2.951   3.959  -2.345
  473    H    LYS  61           HN       LYS  61   0.827   3.506  -0.579
  474    HA   LYS  61           HA       LYS  61   0.956   5.767   1.076
  475    HB2  LYS  61           2HB      LYS  61  -0.933   3.434   0.912
  476    HB3  LYS  61           1HB      LYS  61  -1.135   4.677   2.138
  477    HG2  LYS  61           2HG      LYS  61  -1.422   6.365   0.452
  478    HG3  LYS  61           1HG      LYS  61  -1.058   5.202  -0.825
  479    HD2  LYS  61           2HD      LYS  61  -3.497   5.677  -0.504
  480    HD3  LYS  61           1HD      LYS  61  -3.057   3.974  -0.376
  481    HE2  LYS  61           2HE      LYS  61  -4.640   4.589   1.364
  482    HE3  LYS  61           1HE      LYS  61  -3.084   4.151   2.061
  483    HZ1  LYS  61           3HZ      LYS  61  -4.040   6.124   3.100
  484    HZ2  LYS  61           1HZ      LYS  61  -4.033   6.933   1.606
  485    HZ3  LYS  61           2HZ      LYS  61  -2.568   6.483   2.340
  486    H    THR  62           HN       THR  62   1.456   2.354   1.735
  487    HA   THR  62           HA       THR  62   1.496   2.508   4.546
  488    HB   THR  62           HB       THR  62   2.915   0.517   2.763
  489    HG1  THR  62           1HG      THR  62   0.684   0.558   2.323
  490   HG21  THR  62          3HG2      THR  62   2.748  -0.995   4.676
  491   HG22  THR  62          1HG2      THR  62   1.991   0.283   5.631
  492   HG23  THR  62          2HG2      THR  62   3.664   0.450   5.104
  493    H    LEU  63           HN       LEU  63   4.103   2.678   2.135
  494    HA   LEU  63           HA       LEU  63   6.185   2.887   4.056
  495    HB2  LEU  63           2HB      LEU  63   6.118   3.654   1.140
  496    HB3  LEU  63           1HB      LEU  63   7.568   3.631   2.127
  497    HG   LEU  63           HG       LEU  63   5.847   1.229   1.498
  498   HD11  LEU  63          1HD1      LEU  63   7.068   1.989  -0.454
  499   HD12  LEU  63          2HD1      LEU  63   7.775   0.497   0.167
  500   HD13  LEU  63          3HD1      LEU  63   8.563   2.044   0.478
  501   HD21  LEU  63          3HD2      LEU  63   7.662  -0.049   2.533
  502   HD22  LEU  63          1HD2      LEU  63   6.901   1.051   3.681
  503   HD23  LEU  63          2HD2      LEU  63   8.465   1.457   2.976
  504    H    GLN  64           HN       GLN  64   4.196   5.262   2.375
  505    HA   GLN  64           HA       GLN  64   5.604   7.551   3.281
  506    HB2  GLN  64           2HB      GLN  64   3.142   7.001   1.861
  507    HB3  GLN  64           1HB      GLN  64   2.910   8.282   3.043
  508    HG2  GLN  64           2HG      GLN  64   5.029   8.245   0.903
  509    HG3  GLN  64           1HG      GLN  64   3.516   9.148   0.840
  510   HE21  GLN  64          1HE2      GLN  64   6.674   8.938   2.280
  511   HE22  GLN  64          2HE2      GLN  64   6.672  10.516   2.997
  512    H    GLY  65           HN       GLY  65   2.915   5.675   4.604
  513    HA2  GLY  65           2HA      GLY  65   2.438   7.309   6.860
  514    HA3  GLY  65           1HA      GLY  65   2.019   5.606   6.717
  515    H    GLN  66           HN       GLN  66   4.627   4.588   6.322
  516    HA   GLN  66           HA       GLN  66   5.573   4.438   8.990
  517    HB2  GLN  66           2HB      GLN  66   5.822   2.609   7.347
  518    HB3  GLN  66           1HB      GLN  66   6.946   3.600   6.428
  519    HG2  GLN  66           2HG      GLN  66   8.547   3.548   8.198
  520    HG3  GLN  66           1HG      GLN  66   7.402   2.759   9.279
  521   HE21  GLN  66          1HE2      GLN  66   8.821   1.047   9.623
  522   HE22  GLN  66          2HE2      GLN  66   9.073  -0.184   8.428
  523    H    GLY  67           HN       GLY  67   6.299   6.506   6.309
  524    HA2  GLY  67           2HA      GLY  67   7.098   8.701   6.745
  525    HA3  GLY  67           1HA      GLY  67   7.971   8.076   8.133
  526    H    ASP  68           HN       ASP  68   8.137   6.417   5.061
  527    HA   ASP  68           HA       ASP  68  10.874   7.457   4.796
  528    HB2  ASP  68           2HB      ASP  68  10.632   4.978   5.292
  529    HB3  ASP  68           1HB      ASP  68   9.929   4.822   3.682
  530    H    ARG  69           HN       ARG  69  10.733   9.035   3.429
  531    HA   ARG  69           HA       ARG  69   8.895   9.311   1.325
  532    HB2  ARG  69           2HB      ARG  69   9.954  11.225   2.319
  533    HB3  ARG  69           1HB      ARG  69  11.547  10.635   1.875
  534    HG2  ARG  69           2HG      ARG  69  11.047  10.983  -0.471
  535    HG3  ARG  69           1HG      ARG  69   9.419  11.531  -0.053
  536    HD2  ARG  69           2HD      ARG  69  10.266  13.431   1.093
  537    HD3  ARG  69           1HD      ARG  69  11.916  12.821   1.013
  538    HE   ARG  69           HE       ARG  69  10.820  13.201  -1.583
  539   HH11  ARG  69          1HH1      ARG  69  12.193  14.877   1.155
  540   HH12  ARG  69          2HH1      ARG  69  12.832  16.187   0.208
  541   HH21  ARG  69          1HH2      ARG  69  11.674  14.940  -2.851
  542   HH22  ARG  69          2HH2      ARG  69  12.544  16.216  -2.046
  543    H    ALA  70           HN       ALA  70  12.286   8.240   1.311
  544    HA   ALA  70           HA       ALA  70  12.567   8.102  -1.488
  545    HB1  ALA  70           1HB      ALA  70  14.044   6.535   0.624
  546    HB2  ALA  70           2HB      ALA  70  14.478   8.138   0.025
  547    HB3  ALA  70           3HB      ALA  70  14.546   6.746  -1.054
  548    H    GLY  71           HN       GLY  71  11.673   5.615   0.878
  549    HA2  GLY  71           2HA      GLY  71  11.419   3.507  -0.989
  550    HA3  GLY  71           1HA      GLY  71  10.687   3.570   0.609
  551    H    ALA  72           HN       ALA  72   9.168   5.932   0.208
  552    HA   ALA  72           HA       ALA  72   6.818   4.827  -0.879
  553    HB1  ALA  72           1HB      ALA  72   5.841   7.033  -0.539
  554    HB2  ALA  72           2HB      ALA  72   7.447   7.722  -0.312
  555    HB3  ALA  72           3HB      ALA  72   6.815   6.558   0.852
  556    H    ARG  73           HN       ARG  73   9.076   7.270  -2.179
  557    HA   ARG  73           HA       ARG  73   7.563   7.736  -4.522
  558    HB2  ARG  73           2HB      ARG  73   9.714   8.704  -5.447
  559    HB3  ARG  73           1HB      ARG  73   9.092   9.433  -3.976
  560    HG2  ARG  73           2HG      ARG  73  10.906   8.882  -2.796
  561    HG3  ARG  73           1HG      ARG  73  11.004   7.273  -3.517
  562    HD2  ARG  73           2HD      ARG  73  11.721   9.685  -5.131
  563    HD3  ARG  73           1HD      ARG  73  12.881   9.019  -3.980
  564    HE   ARG  73           HE       ARG  73  13.024   7.056  -5.265
  565   HH11  ARG  73          1HH1      ARG  73  10.914   9.444  -6.729
  566   HH12  ARG  73          2HH1      ARG  73  10.846   8.632  -8.268
  567   HH21  ARG  73          1HH2      ARG  73  12.959   6.007  -7.274
  568   HH22  ARG  73          2HH2      ARG  73  12.006   6.664  -8.573
  569    H    GLN  74           HN       GLN  74  10.294   5.542  -3.894
  570    HA   GLN  74           HA       GLN  74  10.441   4.672  -6.597
  571    HB2  GLN  74           2HB      GLN  74  11.921   2.921  -5.813
  572    HB3  GLN  74           1HB      GLN  74  12.340   4.447  -5.055
  573    HG2  GLN  74           2HG      GLN  74  12.498   3.068  -3.264
  574    HG3  GLN  74           1HG      GLN  74  10.802   3.525  -3.128
  575   HE21  GLN  74          1HE2      GLN  74  10.249   1.671  -2.030
  576   HE22  GLN  74          2HE2      GLN  74  10.191   0.119  -2.784
  577    H    ALA  75           HN       ALA  75   8.597   3.631  -3.814
  578    HA   ALA  75           HA       ALA  75   7.686   1.167  -4.831
  579    HB1  ALA  75           1HB      ALA  75   7.483   1.780  -2.474
  580    HB2  ALA  75           2HB      ALA  75   5.925   1.315  -3.154
  581    HB3  ALA  75           3HB      ALA  75   6.301   3.019  -2.893
  582    H    TRP  76           HN       TRP  76   6.311   4.439  -5.015
  583    HA   TRP  76           HA       TRP  76   3.947   3.633  -6.346
  584    HB2  TRP  76           2HB      TRP  76   5.281   6.260  -5.854
  585    HB3  TRP  76           1HB      TRP  76   3.989   6.177  -7.048
  586    HD1  TRP  76           1HD      TRP  76   1.998   4.233  -5.616
  587    HE1  TRP  76           1HE      TRP  76   0.737   4.988  -3.504
  588    HE3  TRP  76           3HE      TRP  76   5.111   8.000  -4.120
  589    HZ2  TRP  76           2HZ      TRP  76   1.022   6.932  -1.474
  590    HZ3  TRP  76           3HZ      TRP  76   4.545   9.260  -2.085
  591    HH2  TRP  76           2HH      TRP  76   2.543   8.737  -0.790
  592    H    GLU  77           HN       GLU  77   7.055   4.863  -7.556
  593    HA   GLU  77           HA       GLU  77   6.334   4.954 -10.269
  594    HB2  GLU  77           2HB      GLU  77   9.019   4.392  -9.003
  595    HB3  GLU  77           1HB      GLU  77   8.778   4.699 -10.717
  596    HG2  GLU  77           2HG      GLU  77   7.858   6.923 -10.147
  597    HG3  GLU  77           1HG      GLU  77   8.230   6.605  -8.454
  598    H    SER  78           HN       SER  78   7.550   2.323  -8.256
  599    HA   SER  78           HA       SER  78   7.782   0.452 -10.394
  600    HB2  SER  78           2HB      SER  78   7.509  -0.083  -7.424
  601    HB3  SER  78           1HB      SER  78   8.117  -1.210  -8.637
  602    HG   SER  78           HG       SER  78   9.298   1.199  -7.712
  603    H    GLY  79           HN       GLY  79   5.295   1.173  -7.984
  604    HA2  GLY  79           2HA      GLY  79   3.540  -0.939  -8.666
  605    HA3  GLY  79           1HA      GLY  79   3.101   0.532  -7.812
  606    H    LEU  80           HN       LEU  80   3.950   2.320  -9.907
  607    HA   LEU  80           HA       LEU  80   1.625   2.471 -11.469
  608    HB2  LEU  80           2HB      LEU  80   3.650   4.155 -10.921
  609    HB3  LEU  80           1HB      LEU  80   4.132   3.650 -12.524
  610    HG   LEU  80           HG       LEU  80   1.419   4.817 -11.912
  611   HD11  LEU  80          1HD1      LEU  80   3.129   6.456 -11.397
  612   HD12  LEU  80          2HD1      LEU  80   2.276   6.894 -12.878
  613   HD13  LEU  80          3HD1      LEU  80   3.889   6.184 -12.966
  614   HD21  LEU  80          3HD2      LEU  80   1.511   3.464 -13.933
  615   HD22  LEU  80          1HD2      LEU  80   2.902   4.385 -14.503
  616   HD23  LEU  80          2HD2      LEU  80   1.332   5.172 -14.332
  617    H    ALA  81           HN       ALA  81   4.903   1.395 -12.282
  618    HA   ALA  81           HA       ALA  81   4.336   0.544 -14.917
  619    HB1  ALA  81           1HB      ALA  81   6.437  -0.715 -14.758
  620    HB2  ALA  81           2HB      ALA  81   6.471  -0.439 -13.017
  621    HB3  ALA  81           3HB      ALA  81   6.618   0.924 -14.128
  622    H    ALA  82           HN       ALA  82   3.982  -1.058 -11.805
  623    HA   ALA  82           HA       ALA  82   3.414  -3.638 -12.827
  624    HB1  ALA  82           1HB      ALA  82   3.973  -3.258 -10.477
  625    HB2  ALA  82           2HB      ALA  82   2.421  -4.083 -10.636
  626    HB3  ALA  82           3HB      ALA  82   2.470  -2.361 -10.262
  627    H    ALA  83           HN       ALA  83   1.379  -0.866 -11.991
  628    HA   ALA  83           HA       ALA  83  -1.090  -2.037 -12.692
  629    HB1  ALA  83           1HB      ALA  83  -0.313   0.879 -12.675
  630    HB2  ALA  83           2HB      ALA  83  -0.926  -0.038 -11.298
  631    HB3  ALA  83           3HB      ALA  83  -1.958   0.246 -12.700
  632    H    GLN  84           HN       GLN  84   1.233  -0.090 -14.532
  633    HA   GLN  84           HA       GLN  84  -0.176   0.032 -16.951
  634    HB2  GLN  84           2HB      GLN  84   2.743   0.107 -16.253
  635    HB3  GLN  84           1HB      GLN  84   2.203   0.223 -17.916
  636    HG2  GLN  84           2HG      GLN  84   1.334   2.067 -15.710
  637    HG3  GLN  84           1HG      GLN  84   2.638   2.403 -16.844
  638   HE21  GLN  84          1HE2      GLN  84   2.129   2.824 -19.015
  639   HE22  GLN  84          2HE2      GLN  84   0.522   3.234 -19.513
  640    H    SER  85           HN       SER  85   2.159  -2.346 -15.745
  641    HA   SER  85           HA       SER  85   2.199  -4.024 -17.985
  642    HB2  SER  85           2HB      SER  85   3.746  -4.165 -16.019
  643    HB3  SER  85           1HB      SER  85   2.434  -4.888 -15.093
  644    HG   SER  85           HG       SER  85   4.103  -6.259 -16.322
  645    H    ARG  86           HN       ARG  86   0.012  -3.990 -15.197
  646    HA   ARG  86           HA       ARG  86  -1.552  -6.200 -16.014
  647    HB2  ARG  86           2HB      ARG  86  -1.112  -4.932 -13.736
  648    HB3  ARG  86           1HB      ARG  86  -2.511  -4.000 -14.241
  649    HG2  ARG  86           2HG      ARG  86  -2.639  -6.958 -14.210
  650    HG3  ARG  86           1HG      ARG  86  -2.768  -6.042 -12.714
  651    HD2  ARG  86           2HD      ARG  86  -4.563  -4.677 -13.885
  652    HD3  ARG  86           1HD      ARG  86  -4.544  -5.927 -15.126
  653    HE   ARG  86           HE       ARG  86  -4.891  -7.295 -12.792
  654   HH11  ARG  86          1HH1      ARG  86  -6.600  -4.748 -14.461
  655   HH12  ARG  86          2HH1      ARG  86  -8.115  -5.063 -13.672
  656   HH21  ARG  86          1HH2      ARG  86  -6.898  -7.738 -11.754
  657   HH22  ARG  86          2HH2      ARG  86  -8.290  -6.792 -12.173
  658    H    GLY  87           HN       GLY  87  -1.338  -2.976 -17.061
  659    HA2  GLY  87           2HA      GLY  87  -2.576  -1.737 -18.546
  660    HA3  GLY  87           1HA      GLY  87  -3.536  -3.178 -18.849
  661    H    ASP  88           HN       ASP  88  -3.217  -2.085 -15.611
  662    HA   ASP  88           HA       ASP  88  -6.093  -1.688 -15.511
  663    HB2  ASP  88           2HB      ASP  88  -4.789  -3.072 -13.807
  664    HB3  ASP  88           1HB      ASP  88  -4.173  -1.547 -13.187
  665    H    GLN  89           HN       GLN  89  -6.040   0.233 -16.745
  666    HA   GLN  89           HA       GLN  89  -4.588   2.528 -16.123
  667    HB2  GLN  89           2HB      GLN  89  -7.222   2.176 -17.533
  668    HB3  GLN  89           1HB      GLN  89  -6.297   3.664 -17.514
  669    HG2  GLN  89           2HG      GLN  89  -5.414   1.031 -18.657
  670    HG3  GLN  89           1HG      GLN  89  -5.908   2.453 -19.567
  671   HE21  GLN  89          1HE2      GLN  89  -3.414   1.010 -17.637
  672   HE22  GLN  89          2HE2      GLN  89  -2.170   2.155 -18.003
  673    H    GLN  90           HN       GLN  90  -7.677   1.400 -14.951
  674    HA   GLN  90           HA       GLN  90  -8.615   3.717 -13.728
  675    HB2  GLN  90           2HB      GLN  90  -9.882   1.568 -13.986
  676    HB3  GLN  90           1HB      GLN  90  -8.929   0.903 -12.667
  677    HG2  GLN  90           2HG      GLN  90  -9.804   2.593 -11.161
  678    HG3  GLN  90           1HG      GLN  90 -10.744   3.296 -12.476
  679   HE21  GLN  90          1HE2      GLN  90 -10.451   0.671 -10.237
  680   HE22  GLN  90          2HE2      GLN  90 -12.024  -0.012 -10.518
  681    H    VAL  91           HN       VAL  91  -6.495   1.181 -12.440
  682    HA   VAL  91           HA       VAL  91  -6.116   2.472  -9.921
  683    HB   VAL  91           HB       VAL  91  -4.559   0.258 -11.267
  684   HG11  VAL  91          1HG1      VAL  91  -3.113   1.475  -9.696
  685   HG12  VAL  91          2HG1      VAL  91  -3.507  -0.142  -9.105
  686   HG13  VAL  91          3HG1      VAL  91  -4.327   1.267  -8.432
  687   HG21  VAL  91          3HG2      VAL  91  -6.855  -0.289 -10.651
  688   HG22  VAL  91          1HG2      VAL  91  -6.549   0.262  -9.004
  689   HG23  VAL  91          2HG2      VAL  91  -5.702  -1.152  -9.632
  690    H    VAL  92           HN       VAL  92  -4.356   2.455 -12.978
  691    HA   VAL  92           HA       VAL  92  -2.031   3.771 -12.196
  692    HB   VAL  92           HB       VAL  92  -3.549   3.993 -14.809
  693   HG11  VAL  92          1HG1      VAL  92  -2.066   5.912 -14.543
  694   HG12  VAL  92          2HG1      VAL  92  -1.440   4.811 -15.773
  695   HG13  VAL  92          3HG1      VAL  92  -0.721   4.834 -14.161
  696   HG21  VAL  92          3HG2      VAL  92  -1.843   2.416 -15.621
  697   HG22  VAL  92          1HG2      VAL  92  -2.810   1.736 -14.312
  698   HG23  VAL  92          2HG2      VAL  92  -1.177   2.320 -13.991
  699    H    LYS  93           HN       LYS  93  -5.144   5.131 -13.270
  700    HA   LYS  93           HA       LYS  93  -4.405   7.835 -13.084
  701    HB2  LYS  93           2HB      LYS  93  -7.129   6.553 -12.814
  702    HB3  LYS  93           1HB      LYS  93  -6.854   8.284 -12.972
  703    HG2  LYS  93           2HG      LYS  93  -5.839   7.936 -15.158
  704    HG3  LYS  93           1HG      LYS  93  -6.075   6.194 -14.995
  705    HD2  LYS  93           2HD      LYS  93  -8.271   8.262 -15.021
  706    HD3  LYS  93           1HD      LYS  93  -7.805   7.249 -16.390
  707    HE2  LYS  93           2HE      LYS  93  -8.341   5.248 -15.026
  708    HE3  LYS  93           1HE      LYS  93  -8.906   6.317 -13.742
  709    HZ1  LYS  93           3HZ      LYS  93 -10.055   6.039 -16.466
  710    HZ2  LYS  93           1HZ      LYS  93 -10.533   7.226 -15.352
  711    HZ3  LYS  93           2HZ      LYS  93 -10.773   5.588 -14.997
  712    H    GLU  94           HN       GLU  94  -5.663   5.598 -10.659
  713    HA   GLU  94           HA       GLU  94  -6.046   7.523  -8.623
  714    HB2  GLU  94           2HB      GLU  94  -5.546   4.549  -8.482
  715    HB3  GLU  94           1HB      GLU  94  -5.960   5.544  -7.101
  716    HG2  GLU  94           2HG      GLU  94  -8.044   6.198  -8.385
  717    HG3  GLU  94           1HG      GLU  94  -7.648   4.875  -9.479
  718    H    LEU  95           HN       LEU  95  -3.367   5.372  -9.457
  719    HA   LEU  95           HA       LEU  95  -1.697   6.116  -7.309
  720    HB2  LEU  95           2HB      LEU  95  -1.190   4.822  -9.966
  721    HB3  LEU  95           1HB      LEU  95   0.134   5.217  -8.886
  722    HG   LEU  95           HG       LEU  95  -2.183   3.424  -8.125
  723   HD11  LEU  95          1HD1      LEU  95   0.619   2.685  -8.970
  724   HD12  LEU  95          2HD1      LEU  95  -0.841   2.438  -9.930
  725   HD13  LEU  95          3HD1      LEU  95  -0.630   1.574  -8.407
  726   HD21  LEU  95          3HD2      LEU  95  -0.715   2.802  -6.263
  727   HD22  LEU  95          1HD2      LEU  95  -1.124   4.518  -6.236
  728   HD23  LEU  95          2HD2      LEU  95   0.465   3.999  -6.802
  729    H    GLN  96           HN       GLN  96  -2.110   7.418 -10.552
  730    HA   GLN  96           HA       GLN  96   0.088   9.113 -10.684
  731    HB2  GLN  96           2HB      GLN  96  -2.702   9.481 -11.777
  732    HB3  GLN  96           1HB      GLN  96  -1.362  10.542 -12.171
  733    HG2  GLN  96           2HG      GLN  96  -1.333   7.583 -12.695
  734    HG3  GLN  96           1HG      GLN  96  -1.894   8.776 -13.864
  735   HE21  GLN  96          1HE2      GLN  96  -0.328   8.292 -15.347
  736   HE22  GLN  96          2HE2      GLN  96   1.338   8.702 -15.116
  737    H    VAL  97           HN       VAL  97  -2.968   9.510  -9.001
  738    HA   VAL  97           HA       VAL  97  -2.791  12.260  -8.435
  739    HB   VAL  97           HB       VAL  97  -4.093  10.100  -6.763
  740   HG11  VAL  97          1HG1      VAL  97  -3.800  12.162  -5.511
  741   HG12  VAL  97          2HG1      VAL  97  -5.503  11.920  -5.902
  742   HG13  VAL  97          3HG1      VAL  97  -4.544  13.085  -6.816
  743   HG21  VAL  97          3HG2      VAL  97  -4.939  10.077  -9.030
  744   HG22  VAL  97          1HG2      VAL  97  -5.215  11.819  -8.974
  745   HG23  VAL  97          2HG2      VAL  97  -6.157  10.742  -7.941
  746    H    PHE  98           HN       PHE  98  -1.561   9.417  -6.730
  747    HA   PHE  98           HA       PHE  98  -0.589  10.817  -4.463
  748    HB2  PHE  98           2HB      PHE  98   0.223   8.136  -5.600
  749    HB3  PHE  98           1HB      PHE  98   0.749   8.760  -4.038
  750    HD1  PHE  98           2HD      PHE  98  -1.210   9.523  -2.447
  751    HD2  PHE  98           1HD      PHE  98  -1.621   6.770  -5.665
  752    HE1  PHE  98           2HE      PHE  98  -3.234   8.602  -1.394
  753    HE2  PHE  98           1HE      PHE  98  -3.647   5.847  -4.620
  754    HZ   PHE  98           HZ       PHE  98  -4.455   6.760  -2.482
  755    H    LEU  99           HN       LEU  99   0.783  10.062  -7.598
  756    HA   LEU  99           HA       LEU  99   3.451  10.781  -7.025
  757    HB2  LEU  99           2HB      LEU  99   1.837  10.500  -9.513
  758    HB3  LEU  99           1HB      LEU  99   3.354  11.369  -9.614
  759    HG   LEU  99           HG       LEU  99   3.699   9.076 -10.262
  760   HD11  LEU  99          1HD1      LEU  99   5.453   8.433  -8.684
  761   HD12  LEU  99          2HD1      LEU  99   4.844   9.620  -7.529
  762   HD13  LEU  99          3HD1      LEU  99   5.514  10.152  -9.072
  763   HD21  LEU  99          3HD2      LEU  99   1.829   8.045  -9.106
  764   HD22  LEU  99          1HD2      LEU  99   2.615   8.331  -7.553
  765   HD23  LEU  99          2HD2      LEU  99   3.339   7.221  -8.718
  766    H    ARG 100           HN       ARG 100   0.636  12.666  -8.000
  767    HA   ARG 100           HA       ARG 100   2.025  15.122  -8.423
  768    HB2  ARG 100           2HB      ARG 100  -0.802  15.065  -7.441
  769    HB3  ARG 100           1HB      ARG 100  -0.062  16.118  -8.628
  770    HG2  ARG 100           2HG      ARG 100   0.030  14.188 -10.181
  771    HG3  ARG 100           1HG      ARG 100  -0.893  13.264  -9.002
  772    HD2  ARG 100           2HD      ARG 100  -2.611  15.114  -9.086
  773    HD3  ARG 100           1HD      ARG 100  -1.742  15.740 -10.485
  774    HE   ARG 100           HE       ARG 100  -2.242  13.113 -11.077
  775   HH11  ARG 100          1HH1      ARG 100  -4.147  15.917 -10.249
  776   HH12  ARG 100          2HH1      ARG 100  -5.553  15.403 -11.130
  777   HH21  ARG 100          1HH2      ARG 100  -4.092  12.398 -12.246
  778   HH22  ARG 100          2HH2      ARG 100  -5.535  13.370 -12.229
  779    H    ARG 101           HN       ARG 101   0.235  13.677  -5.813
  780    HA   ARG 101           HA       ARG 101   0.344  15.664  -3.877
  781    HB2  ARG 101           2HB      ARG 101  -1.017  13.658  -3.656
  782    HB3  ARG 101           1HB      ARG 101   0.417  12.650  -3.600
  783    HG2  ARG 101           2HG      ARG 101  -0.428  12.816  -1.404
  784    HG3  ARG 101           1HG      ARG 101   1.036  13.801  -1.473
  785    HD2  ARG 101           2HD      ARG 101  -0.220  15.809  -1.542
  786    HD3  ARG 101           1HD      ARG 101  -1.728  14.939  -1.830
  787    HE   ARG 101           HE       ARG 101  -1.012  13.946   0.535
  788   HH11  ARG 101          1HH1      ARG 101  -1.089  17.254  -0.607
  789   HH12  ARG 101          2HH1      ARG 101  -1.410  17.913   0.968
  790   HH21  ARG 101          1HH2      ARG 101  -1.435  14.808   2.594
  791   HH22  ARG 101          2HH2      ARG 101  -1.618  16.527   2.792
  792    H    LEU 102           HN       LEU 102   2.627  13.032  -4.522
  793    HA   LEU 102           HA       LEU 102   4.443  13.762  -2.457
  794    HB2  LEU 102           2HB      LEU 102   4.267  11.496  -3.439
  795    HB3  LEU 102           1HB      LEU 102   4.939  12.116  -4.934
  796    HG   LEU 102           HG       LEU 102   7.029  12.670  -3.760
  797   HD11  LEU 102          1HD1      LEU 102   7.409  11.802  -1.495
  798   HD12  LEU 102          2HD1      LEU 102   5.713  11.330  -1.398
  799   HD13  LEU 102          3HD1      LEU 102   6.147  13.034  -1.525
  800   HD21  LEU 102          3HD2      LEU 102   7.794  10.364  -3.443
  801   HD22  LEU 102          1HD2      LEU 102   6.816  10.540  -4.901
  802   HD23  LEU 102          2HD2      LEU 102   6.115   9.814  -3.451
  803    H    ALA 103           HN       ALA 103   4.268  14.476  -5.917
  804    HA   ALA 103           HA       ALA 103   6.844  15.547  -6.214
  805    HB1  ALA 103           1HB      ALA 103   6.021  16.529  -8.286
  806    HB2  ALA 103           2HB      ALA 103   4.361  16.201  -7.791
  807    HB3  ALA 103           3HB      ALA 103   5.466  14.866  -8.107
  808    H    ARG 104           HN       ARG 104   3.855  17.024  -5.114
  809    HA   ARG 104           HA       ARG 104   4.629  19.712  -5.365
  810    HB2  ARG 104           2HB      ARG 104   2.717  18.452  -3.384
  811    HB3  ARG 104           1HB      ARG 104   2.854  20.177  -3.694
  812    HG2  ARG 104           2HG      ARG 104   2.119  19.871  -5.969
  813    HG3  ARG 104           1HG      ARG 104   2.105  18.122  -5.763
  814    HD2  ARG 104           2HD      ARG 104  -0.140  18.814  -5.580
  815    HD3  ARG 104           1HD      ARG 104   0.398  18.477  -3.938
  816    HE   ARG 104           HE       ARG 104   0.826  21.124  -4.148
  817   HH11  ARG 104          1HH1      ARG 104  -1.939  19.121  -4.896
  818   HH12  ARG 104          2HH1      ARG 104  -3.106  20.363  -4.556
  819   HH21  ARG 104          1HH2      ARG 104  -0.700  22.773  -3.688
  820   HH22  ARG 104          2HH2      ARG 104  -2.396  22.431  -3.861
  821    H    GLU 105           HN       GLU 105   5.325  17.305  -2.920
  822    HA   GLU 105           HA       GLU 105   6.554  19.099  -1.072
  823    HB2  GLU 105           2HB      GLU 105   6.676  16.112  -1.464
  824    HB3  GLU 105           1HB      GLU 105   7.465  16.947  -0.145
  825    HG2  GLU 105           2HG      GLU 105   4.515  17.082  -0.661
  826    HG3  GLU 105           1HG      GLU 105   5.273  15.909   0.413
  827    H    ASP 106           HN       ASP 106   7.683  16.875  -3.561
  828    HA   ASP 106           HA       ASP 106  10.438  17.054  -3.011
  829    HB2  ASP 106           2HB      ASP 106   9.332  15.220  -4.258
  830    HB3  ASP 106           1HB      ASP 106   9.060  16.319  -5.600
  831    H    ALA 107           HN       ALA 107   8.432  18.615  -5.437
  832    HA   ALA 107           HA       ALA 107  10.418  19.946  -6.859
  833    HB1  ALA 107           1HB      ALA 107   8.658  21.379  -7.706
  834    HB2  ALA 107           2HB      ALA 107   7.587  20.869  -6.399
  835    HB3  ALA 107           3HB      ALA 107   8.107  19.705  -7.618
  836    H    LEU 108           HN       LEU 108   9.064  20.723  -3.753
  837    HA   LEU 108           HA       LEU 108   9.531  23.510  -3.807
  838    HB2  LEU 108           2HB      LEU 108   9.122  21.576  -1.547
  839    HB3  LEU 108           1HB      LEU 108   9.315  23.293  -1.306
  840    HG   LEU 108           HG       LEU 108   7.099  21.962  -2.825
  841   HD11  LEU 108          1HD1      LEU 108   6.904  21.717  -0.412
  842   HD12  LEU 108          2HD1      LEU 108   5.683  22.828  -1.030
  843   HD13  LEU 108          3HD1      LEU 108   7.111  23.458  -0.210
  844   HD21  LEU 108          3HD2      LEU 108   6.143  24.212  -3.017
  845   HD22  LEU 108          1HD2      LEU 108   7.687  24.077  -3.859
  846   HD23  LEU 108          2HD2      LEU 108   7.606  24.884  -2.291
  847    H    GLU 109           HN       GLU 109  11.658  20.831  -3.197
  848    HA   GLU 109           HA       GLU 109  13.428  22.210  -1.454
  849    HB2  GLU 109           2HB      GLU 109  13.974  19.772  -3.127
  850    HB3  GLU 109           1HB      GLU 109  14.932  20.329  -1.764
  851    HG2  GLU 109           2HG      GLU 109  13.073  19.915  -0.260
  852    HG3  GLU 109           1HG      GLU 109  12.071  19.405  -1.620
  853    H    HIS 110           HN       HIS 110  14.356  20.851  -4.493
  854    HA   HIS 110           HA       HIS 110  15.108  23.377  -5.649
  855    HB2  HIS 110           2HB      HIS 110  16.990  22.850  -4.039
  856    HB3  HIS 110           1HB      HIS 110  17.345  21.437  -5.023
  857    HD1  HIS 110           1HD      HIS 110  18.652  21.794  -7.177
  858    HD2  HIS 110           2HD      HIS 110  17.558  25.347  -5.303
  859    HE1  HIS 110           1HE      HIS 110  19.940  23.607  -8.350
  860    HE2  HIS 110           2HE      HIS 110  19.221  25.754  -7.252
  861    H    HIS 111           HN       HIS 111  13.692  20.664  -6.101
  862    HA   HIS 111           HA       HIS 111  15.136  19.348  -8.160
  863    HB2  HIS 111           2HB      HIS 111  12.750  18.890  -6.683
  864    HB3  HIS 111           1HB      HIS 111  12.356  18.783  -8.398
  865    HD1  HIS 111           1HD      HIS 111  14.483  17.173  -5.754
  866    HD2  HIS 111           2HD      HIS 111  13.379  16.574  -9.715
  867    HE1  HIS 111           1HE      HIS 111  15.284  14.862  -6.338
  868    HE2  HIS 111           2HE      HIS 111  14.788  14.608  -8.796
  869    H    HIS 112           HN       HIS 112  12.690  21.852  -8.108
  870    HA   HIS 112           HA       HIS 112  11.916  23.291  -9.681
  871    HB2  HIS 112           2HB      HIS 112  14.323  23.664 -10.075
  872    HB3  HIS 112           1HB      HIS 112  14.329  22.365 -11.257
  873    HD1  HIS 112           1HD      HIS 112  13.665  22.934 -13.611
  874    HD2  HIS 112           2HD      HIS 112  12.876  26.014 -10.923
  875    HE1  HIS 112           1HE      HIS 112  13.054  24.928 -15.020
  876    HE2  HIS 112           2HE      HIS 112  12.416  26.722 -13.375
  877    H    HIS 113           HN       HIS 113  11.628  20.132  -9.932
  878    HA   HIS 113           HA       HIS 113  10.962  19.820 -12.708
  879    HB2  HIS 113           2HB      HIS 113  11.897  17.947 -11.397
  880    HB3  HIS 113           1HB      HIS 113  10.457  17.949 -10.384
  881    HD1  HIS 113           1HD      HIS 113   8.185  17.241 -11.604
  882    HD2  HIS 113           2HD      HIS 113  11.688  16.492 -13.712
  883    HE1  HIS 113           1HE      HIS 113   7.548  15.619 -13.419
  884    HE2  HIS 113           2HE      HIS 113   9.674  15.209 -14.714
  885    H    HIS 114           HN       HIS 114   9.295  21.193 -13.201
  886    HA   HIS 114           HA       HIS 114   6.768  20.985 -11.779
  887    HB2  HIS 114           2HB      HIS 114   7.558  22.467 -14.303
  888    HB3  HIS 114           1HB      HIS 114   5.938  22.497 -13.620
  889    HD1  HIS 114           1HD      HIS 114   5.531  24.536 -12.316
  890    HD2  HIS 114           2HD      HIS 114   9.514  23.361 -12.123
  891    HE1  HIS 114           1HE      HIS 114   6.674  26.247 -10.869
  892    HE2  HIS 114           2HE      HIS 114   9.115  25.604 -10.897
  893    H    HIS 115           HN       HIS 115   7.873  20.458 -15.100
  894    HA   HIS 115           HA       HIS 115   6.726  17.843 -15.212
  895    HB2  HIS 115           2HB      HIS 115   4.693  19.149 -15.653
  896    HB3  HIS 115           1HB      HIS 115   5.519  20.027 -16.937
  897    HD1  HIS 115           1HD      HIS 115   5.458  19.022 -19.220
  898    HD2  HIS 115           2HD      HIS 115   4.276  16.335 -16.278
  899    HE1  HIS 115           1HE      HIS 115   4.616  16.996 -20.452
  900    HE2  HIS 115           2HE      HIS 115   4.124  15.303 -18.650
  Start of MODEL   11
    1    H1   MET   1           H1       MET   1 -14.415  -2.514  22.424
    2    H2   MET   1           H2       MET   1 -14.490  -1.054  21.572
    3    H3   MET   1           H3       MET   1 -13.002  -1.627  22.140
    4    HA   MET   1           HA       MET   1 -14.680  -2.950  20.090
    5    HB2  MET   1           2HB      MET   1 -13.686  -0.863  19.276
    6    HB3  MET   1           1HB      MET   1 -12.102  -1.380  19.833
    7    HG2  MET   1           2HG      MET   1 -12.155  -3.232  18.235
    8    HG3  MET   1           1HG      MET   1 -13.733  -2.690  17.668
    9    HE1  MET   1           2HE      MET   1 -11.355  -3.206  15.708
   10    HE2  MET   1           3HE      MET   1 -11.383  -1.777  14.672
   11    HE3  MET   1           1HE      MET   1 -12.893  -2.554  15.148
   12    H    GLN   2           HN       GLN   2 -14.384  -5.075  20.203
   13    HA   GLN   2           HA       GLN   2 -12.174  -6.281  21.527
   14    HB2  GLN   2           2HB      GLN   2 -14.590  -7.179  20.180
   15    HB3  GLN   2           1HB      GLN   2 -13.233  -8.234  19.866
   16    HG2  GLN   2           2HG      GLN   2 -14.367  -9.126  21.730
   17    HG3  GLN   2           1HG      GLN   2 -12.890  -8.393  22.342
   18   HE21  GLN   2          1HE2      GLN   2 -13.914  -5.675  22.242
   19   HE22  GLN   2          2HE2      GLN   2 -15.069  -5.534  23.522
   20    H    ALA   3           HN       ALA   3 -10.757  -7.916  20.404
   21    HA   ALA   3           HA       ALA   3  -9.423  -6.449  18.271
   22    HB1  ALA   3           1HB      ALA   3  -8.124  -7.160  20.208
   23    HB2  ALA   3           2HB      ALA   3  -7.520  -7.888  18.720
   24    HB3  ALA   3           3HB      ALA   3  -8.490  -8.846  19.838
   25    H    ILE   4           HN       ILE   4 -10.542  -6.864  16.440
   26    HA   ILE   4           HA       ILE   4 -11.334  -9.437  15.567
   27    HB   ILE   4           HB       ILE   4 -10.847  -6.939  13.944
   28   HG12  ILE   4          2HG1      ILE   4 -12.523  -6.573  15.670
   29   HG13  ILE   4          1HG1      ILE   4 -13.301  -6.657  14.095
   30   HG21  ILE   4          1HG2      ILE   4 -10.857  -8.928  12.538
   31   HG22  ILE   4          2HG2      ILE   4 -12.304  -7.959  12.262
   32   HG23  ILE   4          3HG2      ILE   4 -12.398  -9.427  13.234
   33   HD11  ILE   4          3HD1      ILE   4 -13.980  -8.954  14.555
   34   HD12  ILE   4          1HD1      ILE   4 -14.590  -7.834  15.774
   35   HD13  ILE   4          2HD1      ILE   4 -13.205  -8.863  16.136
   36    H    THR   5           HN       THR   5  -8.384  -7.586  15.267
   37    HA   THR   5           HA       THR   5  -7.229  -9.019  13.133
   38    HB   THR   5           HB       THR   5  -5.047  -8.125  14.182
   39    HG1  THR   5           1HG      THR   5  -5.234  -7.086  16.019
   40   HG21  THR   5          3HG2      THR   5  -7.224  -6.188  13.376
   41   HG22  THR   5          1HG2      THR   5  -6.186  -7.087  12.268
   42   HG23  THR   5          2HG2      THR   5  -5.489  -5.874  13.341
   43    H    GLU   6           HN       GLU   6  -7.155  -9.511  16.634
   44    HA   GLU   6           HA       GLU   6  -5.087 -11.454  16.554
   45    HB2  GLU   6           2HB      GLU   6  -7.099 -10.837  18.718
   46    HB3  GLU   6           1HB      GLU   6  -5.697 -11.880  18.912
   47    HG2  GLU   6           2HG      GLU   6  -4.281  -9.912  18.246
   48    HG3  GLU   6           1HG      GLU   6  -5.736  -8.928  18.381
   49    H    ARG   7           HN       ARG   7  -8.629 -11.672  16.534
   50    HA   ARG   7           HA       ARG   7  -8.654 -14.510  16.769
   51    HB2  ARG   7           2HB      ARG   7 -10.995 -14.371  15.902
   52    HB3  ARG   7           1HB      ARG   7 -10.684 -13.380  17.319
   53    HG2  ARG   7           2HG      ARG   7 -10.673 -11.394  16.029
   54    HG3  ARG   7           1HG      ARG   7 -10.651 -12.304  14.515
   55    HD2  ARG   7           2HD      ARG   7 -12.899 -12.439  16.519
   56    HD3  ARG   7           1HD      ARG   7 -12.880 -11.331  15.145
   57    HE   ARG   7           HE       ARG   7 -12.666 -13.445  13.755
   58   HH11  ARG   7          1HH1      ARG   7 -14.312 -13.393  16.860
   59   HH12  ARG   7          2HH1      ARG   7 -15.367 -14.717  16.443
   60   HH21  ARG   7          1HH2      ARG   7 -14.039 -15.167  13.233
   61   HH22  ARG   7          2HH2      ARG   7 -15.212 -15.723  14.388
   62    H    LEU   8           HN       LEU   8  -8.359 -12.291  14.068
   63    HA   LEU   8           HA       LEU   8  -8.665 -14.156  11.983
   64    HB2  LEU   8           2HB      LEU   8  -6.961 -11.670  12.119
   65    HB3  LEU   8           1HB      LEU   8  -7.277 -12.574  10.652
   66    HG   LEU   8           HG       LEU   8  -9.363 -11.164  12.317
   67   HD11  LEU   8          1HD1      LEU   8  -8.143 -10.459   9.651
   68   HD12  LEU   8          2HD1      LEU   8  -7.926  -9.587  11.167
   69   HD13  LEU   8          3HD1      LEU   8  -9.512  -9.636  10.399
   70   HD21  LEU   8          3HD2      LEU   8  -9.587 -12.595   9.673
   71   HD22  LEU   8          1HD2      LEU   8 -10.870 -11.673  10.459
   72   HD23  LEU   8          2HD2      LEU   8 -10.251 -13.144  11.212
   73    H    GLU   9           HN       GLU   9  -5.822 -13.162  13.859
   74    HA   GLU   9           HA       GLU   9  -3.927 -14.806  12.602
   75    HB2  GLU   9           2HB      GLU   9  -4.143 -13.627  15.356
   76    HB3  GLU   9           1HB      GLU   9  -2.831 -14.728  14.963
   77    HG2  GLU   9           2HG      GLU   9  -3.432 -12.196  13.458
   78    HG3  GLU   9           1HG      GLU   9  -2.249 -12.334  14.760
   79    H    ALA  10           HN       ALA  10  -6.173 -15.429  15.246
   80    HA   ALA  10           HA       ALA  10  -5.205 -17.976  15.944
   81    HB1  ALA  10           1HB      ALA  10  -6.660 -16.650  17.395
   82    HB2  ALA  10           2HB      ALA  10  -7.307 -18.267  17.123
   83    HB3  ALA  10           3HB      ALA  10  -7.997 -16.886  16.267
   84    H    MET  11           HN       MET  11  -7.892 -17.022  13.791
   85    HA   MET  11           HA       MET  11  -8.611 -19.689  13.175
   86    HB2  MET  11           2HB      MET  11 -10.043 -18.742  11.479
   87    HB3  MET  11           1HB      MET  11 -10.167 -17.792  12.945
   88    HG2  MET  11           2HG      MET  11  -8.699 -16.106  11.975
   89    HG3  MET  11           1HG      MET  11  -8.565 -17.064  10.502
   90    HE1  MET  11           3HE      MET  11 -11.541 -18.188  10.222
   91    HE2  MET  11           1HE      MET  11 -10.621 -17.543   8.861
   92    HE3  MET  11           2HE      MET  11 -12.262 -16.972   9.165
   93    H    LEU  12           HN       LEU  12  -6.336 -17.432  11.790
   94    HA   LEU  12           HA       LEU  12  -5.806 -18.804   9.378
   95    HB2  LEU  12           2HB      LEU  12  -5.074 -16.443  10.173
   96    HB3  LEU  12           1HB      LEU  12  -3.742 -17.269  10.949
   97    HG   LEU  12           HG       LEU  12  -3.181 -16.246   8.749
   98   HD11  LEU  12          1HD1      LEU  12  -1.829 -18.069   9.621
   99   HD12  LEU  12          2HD1      LEU  12  -1.943 -18.151   7.864
  100   HD13  LEU  12          3HD1      LEU  12  -2.904 -19.243   8.862
  101   HD21  LEU  12          3HD2      LEU  12  -5.279 -16.625   7.597
  102   HD22  LEU  12          1HD2      LEU  12  -5.026 -18.368   7.667
  103   HD23  LEU  12          2HD2      LEU  12  -3.948 -17.359   6.704
  104    H    ALA  13           HN       ALA  13  -4.463 -19.029  12.631
  105    HA   ALA  13           HA       ALA  13  -2.497 -20.993  11.954
  106    HB1  ALA  13           1HB      ALA  13  -3.531 -20.183  14.666
  107    HB2  ALA  13           2HB      ALA  13  -2.189 -19.424  13.812
  108    HB3  ALA  13           3HB      ALA  13  -2.062 -21.103  14.339
  109    H    GLN  14           HN       GLN  14  -5.821 -21.200  12.354
  110    HA   GLN  14           HA       GLN  14  -5.857 -23.833  13.546
  111    HB2  GLN  14           2HB      GLN  14  -8.040 -22.146  12.325
  112    HB3  GLN  14           1HB      GLN  14  -8.311 -23.743  13.007
  113    HG2  GLN  14           2HG      GLN  14  -7.316 -21.310  14.470
  114    HG3  GLN  14           1HG      GLN  14  -8.915 -22.039  14.601
  115   HE21  GLN  14          1HE2      GLN  14  -5.570 -22.292  15.465
  116   HE22  GLN  14          2HE2      GLN  14  -5.750 -23.562  16.631
  117    H    GLY  15           HN       GLY  15  -5.091 -22.708  10.545
  118    HA2  GLY  15           2HA      GLY  15  -4.321 -24.263   8.906
  119    HA3  GLY  15           1HA      GLY  15  -5.554 -25.390   9.444
  120    H    THR  16           HN       THR  16  -6.194 -22.009   8.773
  121    HA   THR  16           HA       THR  16  -7.362 -22.786   6.189
  122    HB   THR  16           HB       THR  16  -8.562 -20.722   8.052
  123    HG1  THR  16           1HG      THR  16  -8.781 -23.411   8.044
  124   HG21  THR  16          3HG2      THR  16  -8.979 -20.301   5.659
  125   HG22  THR  16          1HG2      THR  16 -10.458 -20.776   6.494
  126   HG23  THR  16          2HG2      THR  16  -9.605 -21.940   5.484
  127    H    ASP  17           HN       ASP  17  -5.462 -22.098   5.174
  128    HA   ASP  17           HA       ASP  17  -4.622 -19.351   5.478
  129    HB2  ASP  17           2HB      ASP  17  -2.806 -19.863   4.141
  130    HB3  ASP  17           1HB      ASP  17  -3.157 -21.438   4.832
  131    H    ASN  18           HN       ASN  18  -4.832 -17.730   3.904
  132    HA   ASN  18           HA       ASN  18  -6.652 -18.220   1.693
  133    HB2  ASN  18           2HB      ASN  18  -7.905 -17.620   3.906
  134    HB3  ASN  18           1HB      ASN  18  -7.328 -15.994   3.594
  135   HD21  ASN  18          1HD2      ASN  18  -9.453 -18.527   2.615
  136   HD22  ASN  18          2HD2      ASN  18 -10.385 -17.603   1.495
  137    H    MET  19           HN       MET  19  -7.093 -15.919   0.653
  138    HA   MET  19           HA       MET  19  -4.432 -14.706   0.335
  139    HB2  MET  19           2HB      MET  19  -5.591 -15.740  -1.666
  140    HB3  MET  19           1HB      MET  19  -6.801 -14.474  -1.530
  141    HG2  MET  19           2HG      MET  19  -3.870 -13.910  -1.907
  142    HG3  MET  19           1HG      MET  19  -4.996 -14.114  -3.244
  143    HE1  MET  19           3HE      MET  19  -3.171 -11.551  -2.850
  144    HE2  MET  19           1HE      MET  19  -4.296 -10.240  -3.201
  145    HE3  MET  19           2HE      MET  19  -4.310 -11.702  -4.189
  146    H    LEU  20           HN       LEU  20  -7.856 -13.691   0.191
  147    HA   LEU  20           HA       LEU  20  -7.261 -10.956   0.602
  148    HB2  LEU  20           2HB      LEU  20  -9.827 -12.512   0.871
  149    HB3  LEU  20           1HB      LEU  20  -9.741 -10.781   1.120
  150    HG   LEU  20           HG       LEU  20 -10.557 -11.112  -1.072
  151   HD11  LEU  20          1HD1      LEU  20  -8.939  -9.329  -0.913
  152   HD12  LEU  20          2HD1      LEU  20  -8.814 -10.122  -2.484
  153   HD13  LEU  20          3HD1      LEU  20  -7.622 -10.461  -1.228
  154   HD21  LEU  20          3HD2      LEU  20  -9.936 -13.431  -1.383
  155   HD22  LEU  20          1HD2      LEU  20  -8.236 -12.980  -1.528
  156   HD23  LEU  20          2HD2      LEU  20  -9.395 -12.464  -2.755
  157    H    LEU  21           HN       LEU  21  -8.101 -13.589   2.755
  158    HA   LEU  21           HA       LEU  21  -8.704 -12.146   5.059
  159    HB2  LEU  21           2HB      LEU  21  -8.937 -14.652   4.596
  160    HB3  LEU  21           1HB      LEU  21  -7.251 -14.786   5.043
  161    HG   LEU  21           HG       LEU  21  -8.905 -15.389   6.834
  162   HD11  LEU  21          1HD1      LEU  21  -7.015 -13.134   7.489
  163   HD12  LEU  21          2HD1      LEU  21  -6.591 -14.842   7.385
  164   HD13  LEU  21          3HD1      LEU  21  -7.698 -14.284   8.639
  165   HD21  LEU  21          3HD2      LEU  21 -10.554 -13.655   6.385
  166   HD22  LEU  21          1HD2      LEU  21  -9.394 -12.415   6.867
  167   HD23  LEU  21          2HD2      LEU  21  -9.991 -13.576   8.055
  168    H    ARG  22           HN       ARG  22  -5.544 -13.359   3.925
  169    HA   ARG  22           HA       ARG  22  -4.161 -12.352   6.207
  170    HB2  ARG  22           2HB      ARG  22  -2.125 -12.982   5.085
  171    HB3  ARG  22           1HB      ARG  22  -3.317 -14.248   4.837
  172    HG2  ARG  22           2HG      ARG  22  -3.717 -13.519   2.593
  173    HG3  ARG  22           1HG      ARG  22  -2.684 -12.107   2.822
  174    HD2  ARG  22           2HD      ARG  22  -1.451 -13.757   1.609
  175    HD3  ARG  22           1HD      ARG  22  -0.778 -13.646   3.233
  176    HE   ARG  22           HE       ARG  22  -2.695 -15.770   2.523
  177   HH11  ARG  22          1HH1      ARG  22   0.358 -14.720   3.846
  178   HH12  ARG  22          2HH1      ARG  22   0.925 -16.324   4.197
  179   HH21  ARG  22          1HH2      ARG  22  -1.979 -17.909   3.007
  180   HH22  ARG  22          2HH2      ARG  22  -0.419 -18.144   3.738
  181    H    PHE  23           HN       PHE  23  -5.005 -11.070   3.079
  182    HA   PHE  23           HA       PHE  23  -3.218  -8.862   3.103
  183    HB2  PHE  23           2HB      PHE  23  -4.238  -9.685   1.032
  184    HB3  PHE  23           1HB      PHE  23  -5.834  -9.251   1.630
  185    HD1  PHE  23           1HD      PHE  23  -2.514  -7.729   0.874
  186    HD2  PHE  23           2HD      PHE  23  -6.736  -7.207   1.062
  187    HE1  PHE  23           1HE      PHE  23  -2.279  -5.491  -0.120
  188    HE2  PHE  23           2HE      PHE  23  -6.507  -4.968   0.064
  189    HZ   PHE  23           HZ       PHE  23  -4.275  -4.110  -0.527
  190    H    THR  24           HN       THR  24  -6.680  -9.173   3.903
  191    HA   THR  24           HA       THR  24  -6.975  -6.473   4.697
  192    HB   THR  24           HB       THR  24  -8.918  -7.861   4.086
  193    HG1  THR  24           1HG      THR  24  -8.753  -6.155   6.117
  194   HG21  THR  24          3HG2      THR  24  -8.451  -9.228   6.734
  195   HG22  THR  24          1HG2      THR  24  -8.273  -9.963   5.142
  196   HG23  THR  24          2HG2      THR  24  -9.864  -9.443   5.698
  197    H    LEU  25           HN       LEU  25  -6.005  -9.373   6.414
  198    HA   LEU  25           HA       LEU  25  -6.158  -8.485   9.050
  199    HB2  LEU  25           2HB      LEU  25  -5.324 -10.754   7.850
  200    HB3  LEU  25           1HB      LEU  25  -3.769 -10.056   8.251
  201    HG   LEU  25           HG       LEU  25  -5.962 -10.670  10.234
  202   HD11  LEU  25          1HD1      LEU  25  -4.495 -12.471  10.975
  203   HD12  LEU  25          2HD1      LEU  25  -3.361 -12.086   9.682
  204   HD13  LEU  25          3HD1      LEU  25  -4.973 -12.686   9.294
  205   HD21  LEU  25          3HD2      LEU  25  -4.284 -10.207  11.932
  206   HD22  LEU  25          1HD2      LEU  25  -4.554  -8.787  10.923
  207   HD23  LEU  25          2HD2      LEU  25  -3.116  -9.780  10.683
  208    H    GLY  26           HN       GLY  26  -3.474  -8.218   6.726
  209    HA2  GLY  26           2HA      GLY  26  -1.832  -6.637   8.450
  210    HA3  GLY  26           1HA      GLY  26  -1.589  -6.891   6.727
  211    H    LYS  27           HN       LYS  27  -4.095  -5.917   5.852
  212    HA   LYS  27           HA       LYS  27  -3.532  -3.210   5.501
  213    HB2  LYS  27           2HB      LYS  27  -4.898  -4.458   3.944
  214    HB3  LYS  27           1HB      LYS  27  -6.118  -4.737   5.178
  215    HG2  LYS  27           2HG      LYS  27  -6.764  -2.460   5.175
  216    HG3  LYS  27           1HG      LYS  27  -5.379  -2.002   4.179
  217    HD2  LYS  27           2HD      LYS  27  -6.256  -3.236   2.307
  218    HD3  LYS  27           1HD      LYS  27  -7.574  -3.871   3.292
  219    HE2  LYS  27           2HE      LYS  27  -7.147  -0.942   2.749
  220    HE3  LYS  27           1HE      LYS  27  -8.197  -1.975   1.780
  221    HZ1  LYS  27           3HZ      LYS  27  -8.502  -1.451   4.694
  222    HZ2  LYS  27           1HZ      LYS  27  -9.518  -2.428   3.743
  223    HZ3  LYS  27           2HZ      LYS  27  -9.436  -0.760   3.456
  224    H    THR  28           HN       THR  28  -5.608  -4.825   7.849
  225    HA   THR  28           HA       THR  28  -6.873  -2.561   8.908
  226    HB   THR  28           HB       THR  28  -6.132  -5.092  10.401
  227    HG1  THR  28           1HG      THR  28  -7.341  -5.585   8.541
  228   HG21  THR  28          3HG2      THR  28  -8.078  -4.560  11.797
  229   HG22  THR  28          1HG2      THR  28  -8.328  -3.069  10.887
  230   HG23  THR  28          2HG2      THR  28  -6.875  -3.273  11.866
  231    H    TYR  29           HN       TYR  29  -3.736  -4.014   9.610
  232    HA   TYR  29           HA       TYR  29  -3.110  -2.367  11.822
  233    HB2  TYR  29           2HB      TYR  29  -1.344  -3.834   9.861
  234    HB3  TYR  29           1HB      TYR  29  -0.716  -2.946  11.244
  235    HD1  TYR  29           2HD      TYR  29  -1.510  -3.656  13.571
  236    HD2  TYR  29           1HD      TYR  29  -2.068  -6.045  10.096
  237    HE1  TYR  29           2HE      TYR  29  -1.837  -5.639  14.990
  238    HE2  TYR  29           1HE      TYR  29  -2.394  -8.031  11.505
  239    HH   TYR  29           HH       TYR  29  -2.796  -7.813  14.925
  240    H    ALA  30           HN       ALA  30  -2.576  -2.060   8.348
  241    HA   ALA  30           HA       ALA  30  -0.959   0.240   8.418
  242    HB1  ALA  30           1HB      ALA  30  -2.861  -0.647   6.246
  243    HB2  ALA  30           2HB      ALA  30  -1.186  -1.166   6.427
  244    HB3  ALA  30           3HB      ALA  30  -1.552   0.520   6.066
  245    H    GLU  31           HN       GLU  31  -4.461  -0.161   8.165
  246    HA   GLU  31           HA       GLU  31  -5.117   2.558   7.906
  247    HB2  GLU  31           2HB      GLU  31  -6.703   0.245   9.025
  248    HB3  GLU  31           1HB      GLU  31  -7.379   1.835   8.711
  249    HG2  GLU  31           2HG      GLU  31  -6.805   1.596   6.340
  250    HG3  GLU  31           1HG      GLU  31  -6.174  -0.016   6.672
  251    H    HIS  32           HN       HIS  32  -4.492   0.564  10.730
  252    HA   HIS  32           HA       HIS  32  -5.270   2.717  12.526
  253    HB2  HIS  32           2HB      HIS  32  -4.410  -0.134  12.968
  254    HB3  HIS  32           1HB      HIS  32  -4.545   1.006  14.297
  255    HD1  HIS  32           1HD      HIS  32  -6.760   0.968  15.440
  256    HD2  HIS  32           2HD      HIS  32  -7.018  -0.254  11.462
  257    HE1  HIS  32           1HE      HIS  32  -9.164   0.311  15.075
  258    HE2  HIS  32           2HE      HIS  32  -9.312  -0.380  12.652
  259    H    GLU  33           HN       GLU  33  -2.814   2.613  10.672
  260    HA   GLU  33           HA       GLU  33  -0.892   3.812  10.662
  261    HB2  GLU  33           2HB      GLU  33  -2.123   5.263  12.301
  262    HB3  GLU  33           1HB      GLU  33  -1.349   4.359  13.593
  263    HG2  GLU  33           2HG      GLU  33   0.797   5.143  12.980
  264    HG3  GLU  33           1HG      GLU  33   0.192   5.814  11.465
  265    H    GLN  34           HN       GLN  34  -1.224   0.949  11.752
  266    HA   GLN  34           HA       GLN  34   1.457   0.676  12.932
  267    HB2  GLN  34           2HB      GLN  34  -0.827  -1.312  12.778
  268    HB3  GLN  34           1HB      GLN  34   0.743  -1.635  13.503
  269    HG2  GLN  34           2HG      GLN  34   0.338   0.176  15.122
  270    HG3  GLN  34           1HG      GLN  34  -1.261   0.410  14.422
  271   HE21  GLN  34          1HE2      GLN  34  -2.281  -0.051  16.361
  272   HE22  GLN  34          2HE2      GLN  34  -2.372  -1.664  16.988
  273    H    PHE  35           HN       PHE  35   1.529   1.408  10.410
  274    HA   PHE  35           HA       PHE  35   1.169  -0.323   8.305
  275    HB2  PHE  35           2HB      PHE  35   3.335   1.752   8.665
  276    HB3  PHE  35           1HB      PHE  35   2.903   1.010   7.133
  277    HD1  PHE  35           1HD      PHE  35   1.865   3.372   9.732
  278    HD2  PHE  35           2HD      PHE  35   0.895   1.634   5.975
  279    HE1  PHE  35           1HE      PHE  35   0.189   5.135   9.350
  280    HE2  PHE  35           2HE      PHE  35  -0.781   3.387   5.588
  281    HZ   PHE  35           HZ       PHE  35  -1.135   5.143   7.275
  282    H    ASP  36           HN       ASP  36   3.818  -0.205  10.587
  283    HA   ASP  36           HA       ASP  36   5.795  -1.614   9.249
  284    HB2  ASP  36           2HB      ASP  36   5.966  -0.502  11.497
  285    HB3  ASP  36           1HB      ASP  36   5.137  -1.886  12.185
  286    H    ALA  37           HN       ALA  37   3.032  -2.803  11.021
  287    HA   ALA  37           HA       ALA  37   3.748  -5.576  10.868
  288    HB1  ALA  37           1HB      ALA  37   1.543  -5.989  11.826
  289    HB2  ALA  37           2HB      ALA  37   1.102  -4.304  11.557
  290    HB3  ALA  37           3HB      ALA  37   2.379  -4.707  12.702
  291    H    ALA  38           HN       ALA  38   2.057  -3.346   8.860
  292    HA   ALA  38           HA       ALA  38   0.471  -5.213   7.421
  293    HB1  ALA  38           1HB      ALA  38  -0.057  -2.815   7.559
  294    HB2  ALA  38           2HB      ALA  38   0.032  -3.391   5.893
  295    HB3  ALA  38           3HB      ALA  38   1.365  -2.460   6.578
  296    H    LEU  39           HN       LEU  39   3.734  -3.952   7.020
  297    HA   LEU  39           HA       LEU  39   4.144  -4.323   4.322
  298    HB2  LEU  39           2HB      LEU  39   5.947  -4.366   6.674
  299    HB3  LEU  39           1HB      LEU  39   6.588  -4.994   5.172
  300    HG   LEU  39           HG       LEU  39   5.851  -2.754   4.138
  301   HD11  LEU  39          1HD1      LEU  39   5.769  -0.880   5.694
  302   HD12  LEU  39          2HD1      LEU  39   5.823  -2.002   7.054
  303   HD13  LEU  39          3HD1      LEU  39   4.437  -2.003   5.963
  304   HD21  LEU  39          3HD2      LEU  39   8.165  -3.378   4.466
  305   HD22  LEU  39          1HD2      LEU  39   8.085  -2.885   6.157
  306   HD23  LEU  39          2HD2      LEU  39   7.935  -1.678   4.880
  307    HA   PRO  40           HA       PRO  40   5.721  -8.867   4.958
  308    HB2  PRO  40           2HB      PRO  40   4.667 -10.191   7.126
  309    HB3  PRO  40           1HB      PRO  40   6.273  -9.457   7.084
  310    HG2  PRO  40           2HG      PRO  40   3.727  -8.389   8.229
  311    HG3  PRO  40           1HG      PRO  40   5.375  -8.300   8.880
  312    HD2  PRO  40           2HD      PRO  40   4.225  -6.203   7.655
  313    HD3  PRO  40           1HD      PRO  40   5.962  -6.540   7.497
  314    H    HIS  41           HN       HIS  41   2.489  -8.064   6.167
  315    HA   HIS  41           HA       HIS  41   1.267 -10.427   5.125
  316    HB2  HIS  41           2HB      HIS  41   0.242  -7.915   6.379
  317    HB3  HIS  41           1HB      HIS  41  -0.881  -8.958   5.511
  318    HD1  HIS  41           1HD      HIS  41  -1.846 -10.830   6.804
  319    HD2  HIS  41           2HD      HIS  41   1.654  -9.401   8.537
  320    HE1  HIS  41           1HE      HIS  41  -1.608 -12.079   8.976
  321    HE2  HIS  41           2HE      HIS  41   0.564 -11.273   9.964
  322    H    LEU  42           HN       LEU  42   1.497  -7.079   3.990
  323    HA   LEU  42           HA       LEU  42  -0.188  -7.434   1.748
  324    HB2  LEU  42           2HB      LEU  42   1.819  -5.409   2.587
  325    HB3  LEU  42           1HB      LEU  42   1.372  -5.442   0.893
  326    HG   LEU  42           HG       LEU  42  -0.989  -5.105   1.511
  327   HD11  LEU  42          1HD1      LEU  42  -1.569  -4.474   3.805
  328   HD12  LEU  42          2HD1      LEU  42   0.071  -4.873   4.321
  329   HD13  LEU  42          3HD1      LEU  42  -0.992  -6.136   3.701
  330   HD21  LEU  42          3HD2      LEU  42  -0.770  -2.772   2.257
  331   HD22  LEU  42          1HD2      LEU  42   0.371  -3.178   0.975
  332   HD23  LEU  42          2HD2      LEU  42   0.925  -3.071   2.646
  333    H    ARG  43           HN       ARG  43   3.314  -7.782   2.168
  334    HA   ARG  43           HA       ARG  43   3.852  -8.376  -0.538
  335    HB2  ARG  43           2HB      ARG  43   5.373  -8.985   1.996
  336    HB3  ARG  43           1HB      ARG  43   5.992  -9.290   0.386
  337    HG2  ARG  43           2HG      ARG  43   5.719  -6.870  -0.118
  338    HG3  ARG  43           1HG      ARG  43   5.275  -6.625   1.572
  339    HD2  ARG  43           2HD      ARG  43   7.600  -6.093   1.310
  340    HD3  ARG  43           1HD      ARG  43   7.471  -7.596   2.224
  341    HE   ARG  43           HE       ARG  43   7.776  -8.531  -0.256
  342   HH11  ARG  43          1HH1      ARG  43   9.513  -5.989   1.416
  343   HH12  ARG  43          2HH1      ARG  43  11.003  -6.264   0.566
  344   HH21  ARG  43          1HH2      ARG  43   9.727  -8.919  -1.353
  345   HH22  ARG  43          2HH2      ARG  43  11.128  -7.955  -1.004
  346    H    ALA  44           HN       ALA  44   2.829 -10.305   2.198
  347    HA   ALA  44           HA       ALA  44   3.298 -12.844   1.011
  348    HB1  ALA  44           1HB      ALA  44   3.021 -12.540   3.433
  349    HB2  ALA  44           2HB      ALA  44   1.900 -13.735   2.779
  350    HB3  ALA  44           3HB      ALA  44   1.329 -12.112   3.173
  351    H    ALA  45           HN       ALA  45   0.630 -10.556   0.918
  352    HA   ALA  45           HA       ALA  45  -1.217 -12.262  -0.410
  353    HB1  ALA  45           1HB      ALA  45  -1.933 -10.216   0.722
  354    HB2  ALA  45           2HB      ALA  45  -2.421 -10.210  -0.974
  355    HB3  ALA  45           3HB      ALA  45  -1.037  -9.249  -0.448
  356    H    LEU  46           HN       LEU  46   1.340 -10.114  -1.446
  357    HA   LEU  46           HA       LEU  46   0.843 -10.160  -4.218
  358    HB2  LEU  46           2HB      LEU  46   3.426  -9.770  -2.708
  359    HB3  LEU  46           1HB      LEU  46   3.231  -9.486  -4.427
  360    HG   LEU  46           HG       LEU  46   1.789  -7.993  -2.230
  361   HD11  LEU  46          1HD1      LEU  46   4.173  -7.461  -2.344
  362   HD12  LEU  46          2HD1      LEU  46   3.181  -6.108  -2.884
  363   HD13  LEU  46          3HD1      LEU  46   4.014  -7.118  -4.066
  364   HD21  LEU  46          3HD2      LEU  46   1.011  -6.528  -4.018
  365   HD22  LEU  46          1HD2      LEU  46   0.452  -8.181  -4.270
  366   HD23  LEU  46          2HD2      LEU  46   1.801  -7.553  -5.216
  367    H    ASP  47           HN       ASP  47   2.287 -12.461  -2.077
  368    HA   ASP  47           HA       ASP  47   3.733 -14.038  -3.872
  369    HB2  ASP  47           2HB      ASP  47   3.774 -14.365  -1.436
  370    HB3  ASP  47           1HB      ASP  47   2.109 -14.924  -1.478
  371    H    PHE  48           HN       PHE  48   0.323 -14.106  -2.989
  372    HA   PHE  48           HA       PHE  48  -0.246 -16.299  -4.765
  373    HB2  PHE  48           2HB      PHE  48  -2.065 -14.529  -3.129
  374    HB3  PHE  48           1HB      PHE  48  -2.617 -15.900  -4.083
  375    HD1  PHE  48           1HD      PHE  48  -2.001 -18.180  -3.440
  376    HD2  PHE  48           2HD      PHE  48  -0.970 -14.832  -1.037
  377    HE1  PHE  48           1HE      PHE  48  -1.546 -19.687  -1.551
  378    HE2  PHE  48           2HE      PHE  48  -0.517 -16.330   0.862
  379    HZ   PHE  48           HZ       PHE  48  -0.801 -18.764   0.605
  380    H    ASP  49           HN       ASP  49  -0.786 -12.794  -4.770
  381    HA   ASP  49           HA       ASP  49  -1.213 -12.972  -7.652
  382    HB2  ASP  49           2HB      ASP  49  -3.458 -12.920  -6.355
  383    HB3  ASP  49           1HB      ASP  49  -3.068 -11.229  -6.053
  384    HA   PRO  50           HA       PRO  50   1.644  -9.538  -6.618
  385    HB2  PRO  50           2HB      PRO  50   3.192  -9.855  -8.829
  386    HB3  PRO  50           1HB      PRO  50   3.433 -10.785  -7.346
  387    HG2  PRO  50           2HG      PRO  50   2.055 -11.581  -9.878
  388    HG3  PRO  50           1HG      PRO  50   3.149 -12.525  -8.848
  389    HD2  PRO  50           2HD      PRO  50   0.446 -12.807  -8.782
  390    HD3  PRO  50           1HD      PRO  50   1.483 -13.080  -7.368
  391    H    THR  51           HN       THR  51  -0.565 -10.257  -9.037
  392    HA   THR  51           HA       THR  51  -0.220  -7.735 -10.469
  393    HB   THR  51           HB       THR  51  -2.109  -8.738 -11.902
  394    HG1  THR  51           1HG      THR  51  -2.425 -10.425 -10.108
  395   HG21  THR  51          3HG2      THR  51   0.216  -8.637 -12.647
  396   HG22  THR  51          1HG2      THR  51  -0.531 -10.155 -13.150
  397   HG23  THR  51          2HG2      THR  51   0.571 -10.128 -11.773
  398    H    TYR  52           HN       TYR  52  -1.445  -8.270  -7.667
  399    HA   TYR  52           HA       TYR  52  -4.179  -7.455  -7.976
  400    HB2  TYR  52           2HB      TYR  52  -3.080  -8.821  -6.033
  401    HB3  TYR  52           1HB      TYR  52  -2.659  -7.237  -5.392
  402    HD1  TYR  52           1HD      TYR  52  -5.712  -8.713  -6.976
  403    HD2  TYR  52           2HD      TYR  52  -4.064  -6.595  -3.675
  404    HE1  TYR  52           1HE      TYR  52  -7.947  -8.566  -5.964
  405    HE2  TYR  52           2HE      TYR  52  -6.298  -6.438  -2.656
  406    HH   TYR  52           HH       TYR  52  -8.542  -6.680  -3.058
  407    H    SER  53           HN       SER  53  -4.113  -5.583  -9.130
  408    HA   SER  53           HA       SER  53  -2.472  -3.424  -8.966
  409    HB2  SER  53           2HB      SER  53  -5.426  -3.131  -9.472
  410    HB3  SER  53           1HB      SER  53  -4.090  -2.264 -10.231
  411    HG   SER  53           HG       SER  53  -4.338  -3.741 -11.735
  412    H    VAL  54           HN       VAL  54  -5.263  -4.090  -6.924
  413    HA   VAL  54           HA       VAL  54  -5.490  -1.561  -5.714
  414    HB   VAL  54           HB       VAL  54  -6.162  -4.246  -4.491
  415   HG11  VAL  54          1HG1      VAL  54  -7.808  -2.969  -3.182
  416   HG12  VAL  54          2HG1      VAL  54  -7.202  -1.473  -3.894
  417   HG13  VAL  54          3HG1      VAL  54  -6.157  -2.441  -2.855
  418   HG21  VAL  54          3HG2      VAL  54  -7.220  -4.000  -6.665
  419   HG22  VAL  54          1HG2      VAL  54  -7.839  -2.415  -6.205
  420   HG23  VAL  54          2HG2      VAL  54  -8.422  -3.862  -5.381
  421    H    ALA  55           HN       ALA  55  -3.483  -4.356  -4.997
  422    HA   ALA  55           HA       ALA  55  -2.617  -3.489  -2.432
  423    HB1  ALA  55           1HB      ALA  55  -0.947  -5.259  -2.615
  424    HB2  ALA  55           2HB      ALA  55  -1.332  -5.454  -4.324
  425    HB3  ALA  55           3HB      ALA  55  -2.541  -5.837  -3.099
  426    H    TRP  56           HN       TRP  56  -1.395  -3.069  -5.707
  427    HA   TRP  56           HA       TRP  56   1.156  -2.082  -5.141
  428    HB2  TRP  56           2HB      TRP  56  -0.645  -1.098  -7.371
  429    HB3  TRP  56           1HB      TRP  56   1.111  -1.051  -7.333
  430    HD1  TRP  56           1HD      TRP  56   1.090  -4.276  -6.235
  431    HE1  TRP  56           1HE      TRP  56   0.863  -6.058  -8.074
  432    HE3  TRP  56           3HE      TRP  56  -0.829  -1.354  -9.960
  433    HZ2  TRP  56           2HZ      TRP  56  -0.010  -6.206 -10.744
  434    HZ3  TRP  56           3HZ      TRP  56  -1.334  -2.398 -12.129
  435    HH2  TRP  56           2HH      TRP  56  -0.932  -4.774 -12.510
  436    H    LYS  57           HN       LYS  57  -1.934  -0.443  -5.416
  437    HA   LYS  57           HA       LYS  57  -1.014   2.179  -4.998
  438    HB2  LYS  57           2HB      LYS  57  -3.078   2.030  -6.027
  439    HB3  LYS  57           1HB      LYS  57  -3.658   0.797  -4.930
  440    HG2  LYS  57           2HG      LYS  57  -3.897   2.486  -3.171
  441    HG3  LYS  57           1HG      LYS  57  -3.325   3.720  -4.300
  442    HD2  LYS  57           2HD      LYS  57  -5.220   3.464  -5.687
  443    HD3  LYS  57           1HD      LYS  57  -5.701   1.969  -4.887
  444    HE2  LYS  57           2HE      LYS  57  -6.192   3.217  -2.847
  445    HE3  LYS  57           1HE      LYS  57  -5.693   4.712  -3.636
  446    HZ1  LYS  57           3HZ      LYS  57  -7.874   3.014  -4.704
  447    HZ2  LYS  57           1HZ      LYS  57  -7.518   4.628  -5.090
  448    HZ3  LYS  57           2HZ      LYS  57  -8.158   4.241  -3.567
  449    H    TRP  58           HN       TRP  58  -2.093  -0.330  -2.761
  450    HA   TRP  58           HA       TRP  58  -2.076   1.416  -0.494
  451    HB2  TRP  58           2HB      TRP  58  -2.354  -1.547  -0.843
  452    HB3  TRP  58           1HB      TRP  58  -2.082  -0.870   0.760
  453    HD1  TRP  58           1HD      TRP  58  -4.779  -1.517  -1.731
  454    HE1  TRP  58           1HE      TRP  58  -7.006  -0.544  -0.885
  455    HE3  TRP  58           3HE      TRP  58  -3.009   1.269   2.163
  456    HZ2  TRP  58           2HZ      TRP  58  -7.896   1.182   1.173
  457    HZ3  TRP  58           3HZ      TRP  58  -4.607   2.555   3.523
  458    HH2  TRP  58           2HH      TRP  58  -7.001   2.511   3.037
  459    H    LEU  59           HN       LEU  59   0.278  -0.653  -2.039
  460    HA   LEU  59           HA       LEU  59   2.140  -0.949   0.003
  461    HB2  LEU  59           2HB      LEU  59   2.525  -0.656  -2.969
  462    HB3  LEU  59           1HB      LEU  59   3.838  -1.027  -1.873
  463    HG   LEU  59           HG       LEU  59   1.384  -2.734  -2.293
  464   HD11  LEU  59          1HD1      LEU  59   2.825  -2.745  -4.242
  465   HD12  LEU  59          2HD1      LEU  59   2.932  -4.284  -3.388
  466   HD13  LEU  59          3HD1      LEU  59   4.225  -3.095  -3.228
  467   HD21  LEU  59          3HD2      LEU  59   2.586  -4.398  -0.968
  468   HD22  LEU  59          1HD2      LEU  59   2.279  -2.933  -0.034
  469   HD23  LEU  59          2HD2      LEU  59   3.888  -3.240  -0.689
  470    H    GLY  60           HN       GLY  60   1.946   1.627  -2.431
  471    HA2  GLY  60           2HA      GLY  60   4.111   3.155  -1.552
  472    HA3  GLY  60           1HA      GLY  60   2.722   3.787  -2.423
  473    H    LYS  61           HN       LYS  61   0.699   3.330  -0.582
  474    HA   LYS  61           HA       LYS  61   1.011   5.531   1.158
  475    HB2  LYS  61           2HB      LYS  61  -1.067   3.390   0.853
  476    HB3  LYS  61           1HB      LYS  61  -1.152   4.535   2.184
  477    HG2  LYS  61           2HG      LYS  61  -1.291   6.385   0.652
  478    HG3  LYS  61           1HG      LYS  61  -1.042   5.308  -0.724
  479    HD2  LYS  61           2HD      LYS  61  -3.417   5.969  -0.374
  480    HD3  LYS  61           1HD      LYS  61  -3.148   4.228  -0.338
  481    HE2  LYS  61           2HE      LYS  61  -4.679   4.918   1.422
  482    HE3  LYS  61           1HE      LYS  61  -3.195   4.262   2.099
  483    HZ1  LYS  61           3HZ      LYS  61  -3.990   6.287   3.230
  484    HZ2  LYS  61           1HZ      LYS  61  -3.755   7.166   1.802
  485    HZ3  LYS  61           2HZ      LYS  61  -2.431   6.463   2.593
  486    H    THR  62           HN       THR  62   1.489   2.103   1.561
  487    HA   THR  62           HA       THR  62   1.546   2.094   4.397
  488    HB   THR  62           HB       THR  62   2.864   0.148   2.492
  489    HG1  THR  62           1HG      THR  62   0.613   0.287   2.120
  490   HG21  THR  62          3HG2      THR  62   2.680  -1.442   4.353
  491   HG22  THR  62          1HG2      THR  62   2.021  -0.164   5.378
  492   HG23  THR  62          2HG2      THR  62   3.681  -0.058   4.792
  493    H    LEU  63           HN       LEU  63   4.079   2.330   1.912
  494    HA   LEU  63           HA       LEU  63   6.232   2.441   3.759
  495    HB2  LEU  63           2HB      LEU  63   6.050   3.386   0.900
  496    HB3  LEU  63           1HB      LEU  63   7.538   3.298   1.823
  497    HG   LEU  63           HG       LEU  63   5.792   0.962   1.038
  498   HD11  LEU  63          1HD1      LEU  63   8.560   1.768   0.162
  499   HD12  LEU  63          2HD1      LEU  63   7.092   1.888  -0.808
  500   HD13  LEU  63          3HD1      LEU  63   7.704   0.304  -0.325
  501   HD21  LEU  63          3HD2      LEU  63   6.790   0.607   3.234
  502   HD22  LEU  63          1HD2      LEU  63   8.379   1.021   2.587
  503   HD23  LEU  63          2HD2      LEU  63   7.551  -0.429   2.023
  504    H    GLN  64           HN       GLN  64   4.148   4.861   2.321
  505    HA   GLN  64           HA       GLN  64   5.556   7.126   3.287
  506    HB2  GLN  64           2HB      GLN  64   2.783   6.630   2.288
  507    HB3  GLN  64           1HB      GLN  64   3.145   8.151   3.095
  508    HG2  GLN  64           2HG      GLN  64   4.757   7.122   0.785
  509    HG3  GLN  64           1HG      GLN  64   3.323   8.128   0.579
  510   HE21  GLN  64          1HE2      GLN  64   6.617   8.026   1.719
  511   HE22  GLN  64          2HE2      GLN  64   6.830   9.736   1.844
  512    H    GLY  65           HN       GLY  65   3.201   4.954   4.691
  513    HA2  GLY  65           2HA      GLY  65   2.794   6.530   7.059
  514    HA3  GLY  65           1HA      GLY  65   2.319   4.852   6.826
  515    H    GLN  66           HN       GLN  66   5.083   4.143   6.007
  516    HA   GLN  66           HA       GLN  66   6.171   3.534   8.571
  517    HB2  GLN  66           2HB      GLN  66   6.430   2.122   6.514
  518    HB3  GLN  66           1HB      GLN  66   7.493   3.349   5.851
  519    HG2  GLN  66           2HG      GLN  66   8.153   2.149   8.495
  520    HG3  GLN  66           1HG      GLN  66   8.440   1.213   7.034
  521   HE21  GLN  66          1HE2      GLN  66   9.458   3.894   8.955
  522   HE22  GLN  66          2HE2      GLN  66  10.876   4.288   8.042
  523    H    GLY  67           HN       GLY  67   7.154   5.686   5.920
  524    HA2  GLY  67           2HA      GLY  67   7.626   8.002   6.668
  525    HA3  GLY  67           1HA      GLY  67   8.595   7.282   7.941
  526    H    ASP  68           HN       ASP  68   8.702   5.898   4.746
  527    HA   ASP  68           HA       ASP  68  11.332   7.165   4.401
  528    HB2  ASP  68           2HB      ASP  68  11.385   4.678   4.771
  529    HB3  ASP  68           1HB      ASP  68  10.538   4.497   3.233
  530    H    ARG  69           HN       ARG  69  11.086   8.758   3.096
  531    HA   ARG  69           HA       ARG  69   9.144   9.040   1.094
  532    HB2  ARG  69           2HB      ARG  69  10.117  10.990   1.996
  533    HB3  ARG  69           1HB      ARG  69  11.746  10.435   1.662
  534    HG2  ARG  69           2HG      ARG  69  11.468  10.826  -0.686
  535    HG3  ARG  69           1HG      ARG  69   9.754  11.191  -0.468
  536    HD2  ARG  69           2HD      ARG  69  11.346  13.174  -0.708
  537    HD3  ARG  69           1HD      ARG  69  10.209  13.212   0.638
  538    HE   ARG  69           HE       ARG  69  12.815  12.112   1.253
  539   HH11  ARG  69          1HH1      ARG  69  10.874  15.022   1.130
  540   HH12  ARG  69          2HH1      ARG  69  11.755  15.823   2.400
  541   HH21  ARG  69          1HH2      ARG  69  13.980  13.147   2.910
  542   HH22  ARG  69          2HH2      ARG  69  13.519  14.751   3.411
  543    H    ALA  70           HN       ALA  70  12.530   7.980   0.885
  544    HA   ALA  70           HA       ALA  70  12.657   7.987  -1.945
  545    HB1  ALA  70           1HB      ALA  70  14.321   6.386  -0.008
  546    HB2  ALA  70           2HB      ALA  70  14.651   8.042  -0.518
  547    HB3  ALA  70           3HB      ALA  70  14.716   6.728  -1.692
  548    H    GLY  71           HN       GLY  71  12.042   5.358   0.382
  549    HA2  GLY  71           2HA      GLY  71  11.755   3.327  -1.562
  550    HA3  GLY  71           1HA      GLY  71  11.108   3.283   0.072
  551    H    ALA  72           HN       ALA  72   9.447   5.545  -0.094
  552    HA   ALA  72           HA       ALA  72   7.097   4.404  -1.105
  553    HB1  ALA  72           1HB      ALA  72   6.041   6.531  -0.623
  554    HB2  ALA  72           2HB      ALA  72   7.619   7.309  -0.500
  555    HB3  ALA  72           3HB      ALA  72   7.144   6.088   0.679
  556    H    ARG  73           HN       ARG  73   9.154   6.996  -2.450
  557    HA   ARG  73           HA       ARG  73   7.497   7.430  -4.709
  558    HB2  ARG  73           2HB      ARG  73   9.587   8.481  -5.730
  559    HB3  ARG  73           1HB      ARG  73   8.967   9.198  -4.252
  560    HG2  ARG  73           2HG      ARG  73  10.712   8.357  -2.969
  561    HG3  ARG  73           1HG      ARG  73  11.147   7.154  -4.180
  562    HD2  ARG  73           2HD      ARG  73  11.371  10.094  -4.736
  563    HD3  ARG  73           1HD      ARG  73  12.659   9.210  -3.917
  564    HE   ARG  73           HE       ARG  73  11.676   8.269  -6.524
  565   HH11  ARG  73          1HH1      ARG  73  14.240   9.710  -4.605
  566   HH12  ARG  73          2HH1      ARG  73  15.489   9.305  -5.754
  567   HH21  ARG  73          1HH2      ARG  73  13.321   7.716  -8.008
  568   HH22  ARG  73          2HH2      ARG  73  14.970   8.168  -7.679
  569    H    GLN  74           HN       GLN  74  10.335   5.368  -4.213
  570    HA   GLN  74           HA       GLN  74  10.507   4.522  -6.912
  571    HB2  GLN  74           2HB      GLN  74  12.350   4.307  -5.240
  572    HB3  GLN  74           1HB      GLN  74  11.436   3.025  -4.454
  573    HG2  GLN  74           2HG      GLN  74  11.567   1.666  -6.448
  574    HG3  GLN  74           1HG      GLN  74  12.401   2.962  -7.303
  575   HE21  GLN  74          1HE2      GLN  74  14.533   3.432  -6.776
  576   HE22  GLN  74          2HE2      GLN  74  15.533   2.315  -5.915
  577    H    ALA  75           HN       ALA  75   8.791   3.251  -4.090
  578    HA   ALA  75           HA       ALA  75   7.863   0.867  -5.259
  579    HB1  ALA  75           1HB      ALA  75   6.569   2.548  -3.113
  580    HB2  ALA  75           2HB      ALA  75   7.757   1.271  -2.858
  581    HB3  ALA  75           3HB      ALA  75   6.161   0.876  -3.496
  582    H    TRP  76           HN       TRP  76   6.466   4.124  -5.145
  583    HA   TRP  76           HA       TRP  76   4.073   3.490  -6.483
  584    HB2  TRP  76           2HB      TRP  76   5.567   6.024  -5.968
  585    HB3  TRP  76           1HB      TRP  76   4.239   6.038  -7.125
  586    HD1  TRP  76           1HD      TRP  76   2.372   3.964  -5.465
  587    HE1  TRP  76           1HE      TRP  76   1.142   4.845  -3.386
  588    HE3  TRP  76           3HE      TRP  76   5.281   8.045  -4.471
  589    HZ2  TRP  76           2HZ      TRP  76   1.384   6.980  -1.556
  590    HZ3  TRP  76           3HZ      TRP  76   4.709   9.452  -2.539
  591    HH2  TRP  76           2HH      TRP  76   2.803   8.930  -1.115
  592    H    GLU  77           HN       GLU  77   7.228   4.579  -7.691
  593    HA   GLU  77           HA       GLU  77   6.545   4.744 -10.404
  594    HB2  GLU  77           2HB      GLU  77   9.156   3.985  -9.092
  595    HB3  GLU  77           1HB      GLU  77   8.976   4.325 -10.809
  596    HG2  GLU  77           2HG      GLU  77   8.300   6.279  -8.628
  597    HG3  GLU  77           1HG      GLU  77   9.858   6.209  -9.446
  598    H    SER  78           HN       SER  78   7.567   2.022  -8.415
  599    HA   SER  78           HA       SER  78   7.762   0.136 -10.518
  600    HB2  SER  78           2HB      SER  78   7.206  -0.364  -7.580
  601    HB3  SER  78           1HB      SER  78   7.793  -1.549  -8.747
  602    HG   SER  78           HG       SER  78   9.144   0.804  -7.884
  603    H    GLY  79           HN       GLY  79   5.167   0.919  -8.215
  604    HA2  GLY  79           2HA      GLY  79   3.315  -0.986  -9.219
  605    HA3  GLY  79           1HA      GLY  79   2.926   0.409  -8.222
  606    H    LEU  80           HN       LEU  80   4.015   2.362 -10.023
  607    HA   LEU  80           HA       LEU  80   1.811   2.888 -11.663
  608    HB2  LEU  80           2HB      LEU  80   3.835   4.375 -10.823
  609    HB3  LEU  80           1HB      LEU  80   4.511   3.934 -12.375
  610    HG   LEU  80           HG       LEU  80   2.490   4.870 -13.483
  611   HD11  LEU  80          1HD1      LEU  80   1.849   5.853 -10.707
  612   HD12  LEU  80          2HD1      LEU  80   0.933   4.656 -11.623
  613   HD13  LEU  80          3HD1      LEU  80   1.020   6.325 -12.189
  614   HD21  LEU  80          3HD2      LEU  80   4.495   6.210 -13.334
  615   HD22  LEU  80          1HD2      LEU  80   4.060   6.736 -11.707
  616   HD23  LEU  80          2HD2      LEU  80   3.083   7.237 -13.087
  617    H    ALA  81           HN       ALA  81   5.066   1.768 -12.511
  618    HA   ALA  81           HA       ALA  81   4.548   1.285 -15.244
  619    HB1  ALA  81           1HB      ALA  81   6.586  -0.045 -13.458
  620    HB2  ALA  81           2HB      ALA  81   6.814   1.472 -14.329
  621    HB3  ALA  81           3HB      ALA  81   6.598  -0.035 -15.221
  622    H    ALA  82           HN       ALA  82   4.047  -0.672 -12.386
  623    HA   ALA  82           HA       ALA  82   3.487  -3.109 -13.706
  624    HB1  ALA  82           1HB      ALA  82   2.413  -2.114 -11.063
  625    HB2  ALA  82           2HB      ALA  82   3.923  -2.994 -11.295
  626    HB3  ALA  82           3HB      ALA  82   2.383  -3.783 -11.635
  627    H    ALA  83           HN       ALA  83   1.420  -0.444 -12.610
  628    HA   ALA  83           HA       ALA  83  -0.994  -1.536 -13.618
  629    HB1  ALA  83           1HB      ALA  83  -1.933   0.686 -13.242
  630    HB2  ALA  83           2HB      ALA  83  -0.309   1.336 -13.008
  631    HB3  ALA  83           3HB      ALA  83  -0.961   0.162 -11.865
  632    H    GLN  84           HN       GLN  84   1.416   0.677 -14.951
  633    HA   GLN  84           HA       GLN  84   0.161   1.318 -17.359
  634    HB2  GLN  84           2HB      GLN  84   3.049   1.020 -16.574
  635    HB3  GLN  84           1HB      GLN  84   2.594   1.450 -18.210
  636    HG2  GLN  84           2HG      GLN  84   1.685   3.014 -15.822
  637    HG3  GLN  84           1HG      GLN  84   3.206   3.339 -16.651
  638   HE21  GLN  84          1HE2      GLN  84  -0.256   3.456 -16.864
  639   HE22  GLN  84          2HE2      GLN  84  -0.331   4.466 -18.264
  640    H    SER  85           HN       SER  85   2.316  -1.382 -16.546
  641    HA   SER  85           HA       SER  85   2.176  -2.628 -19.079
  642    HB2  SER  85           2HB      SER  85   3.944  -3.086 -17.395
  643    HB3  SER  85           1HB      SER  85   2.751  -3.914 -16.397
  644    HG   SER  85           HG       SER  85   3.274  -4.657 -19.082
  645    H    ARG  86           HN       ARG  86   0.233  -2.986 -16.147
  646    HA   ARG  86           HA       ARG  86  -1.216  -5.245 -17.062
  647    HB2  ARG  86           2HB      ARG  86  -0.746  -3.910 -14.686
  648    HB3  ARG  86           1HB      ARG  86  -2.450  -3.613 -14.993
  649    HG2  ARG  86           2HG      ARG  86  -1.279  -6.362 -15.107
  650    HG3  ARG  86           1HG      ARG  86  -1.824  -5.624 -13.602
  651    HD2  ARG  86           2HD      ARG  86  -4.015  -5.187 -14.762
  652    HD3  ARG  86           1HD      ARG  86  -3.433  -6.214 -16.068
  653    HE   ARG  86           HE       ARG  86  -3.345  -8.053 -14.447
  654   HH11  ARG  86          1HH1      ARG  86  -5.168  -5.195 -13.551
  655   HH12  ARG  86          2HH1      ARG  86  -6.285  -6.073 -12.542
  656   HH21  ARG  86          1HH2      ARG  86  -4.788  -9.201 -13.077
  657   HH22  ARG  86          2HH2      ARG  86  -6.046  -8.344 -12.250
  658    H    GLY  87           HN       GLY  87  -1.435  -1.903 -17.687
  659    HA2  GLY  87           2HA      GLY  87  -2.862  -0.808 -19.154
  660    HA3  GLY  87           1HA      GLY  87  -3.811  -2.281 -19.280
  661    H    ASP  88           HN       ASP  88  -3.145  -1.177 -16.116
  662    HA   ASP  88           HA       ASP  88  -5.971  -0.554 -15.780
  663    HB2  ASP  88           2HB      ASP  88  -3.782  -1.126 -13.776
  664    HB3  ASP  88           1HB      ASP  88  -5.400  -0.618 -13.316
  665    H    GLN  89           HN       GLN  89  -5.839   1.459 -16.842
  666    HA   GLN  89           HA       GLN  89  -4.155   3.573 -16.274
  667    HB2  GLN  89           2HB      GLN  89  -7.046   3.629 -17.129
  668    HB3  GLN  89           1HB      GLN  89  -5.949   4.992 -17.208
  669    HG2  GLN  89           2HG      GLN  89  -5.669   2.409 -18.705
  670    HG3  GLN  89           1HG      GLN  89  -6.207   3.945 -19.371
  671   HE21  GLN  89          1HE2      GLN  89  -3.987   2.310 -20.192
  672   HE22  GLN  89          2HE2      GLN  89  -2.568   3.289 -20.034
  673    H    GLN  90           HN       GLN  90  -7.225   2.720 -14.754
  674    HA   GLN  90           HA       GLN  90  -7.604   4.961 -13.166
  675    HB2  GLN  90           2HB      GLN  90  -9.283   3.210 -13.424
  676    HB3  GLN  90           1HB      GLN  90  -8.263   2.080 -12.545
  677    HG2  GLN  90           2HG      GLN  90  -8.451   3.514 -10.548
  678    HG3  GLN  90           1HG      GLN  90  -9.548   4.566 -11.440
  679   HE21  GLN  90          1HE2      GLN  90 -10.837   2.356 -12.833
  680   HE22  GLN  90          2HE2      GLN  90 -11.842   1.567 -11.665
  681    H    VAL  91           HN       VAL  91  -5.682   2.061 -12.511
  682    HA   VAL  91           HA       VAL  91  -5.011   2.765  -9.840
  683    HB   VAL  91           HB       VAL  91  -3.522   0.914 -11.712
  684   HG11  VAL  91          1HG1      VAL  91  -2.199   1.578  -9.775
  685   HG12  VAL  91          2HG1      VAL  91  -2.675  -0.117  -9.665
  686   HG13  VAL  91          3HG1      VAL  91  -3.516   1.100  -8.704
  687   HG21  VAL  91          3HG2      VAL  91  -4.802  -0.875 -10.643
  688   HG22  VAL  91          1HG2      VAL  91  -5.856   0.265 -11.482
  689   HG23  VAL  91          2HG2      VAL  91  -5.710   0.327  -9.725
  690    H    VAL  92           HN       VAL  92  -3.485   3.255 -12.972
  691    HA   VAL  92           HA       VAL  92  -1.053   4.366 -12.154
  692    HB   VAL  92           HB       VAL  92  -2.697   5.089 -14.592
  693   HG11  VAL  92          1HG1      VAL  92   0.242   5.488 -14.032
  694   HG12  VAL  92          2HG1      VAL  92  -0.980   6.753 -14.160
  695   HG13  VAL  92          3HG1      VAL  92  -0.556   5.792 -15.576
  696   HG21  VAL  92          3HG2      VAL  92  -1.266   3.464 -15.767
  697   HG22  VAL  92          1HG2      VAL  92  -2.242   2.707 -14.506
  698   HG23  VAL  92          2HG2      VAL  92  -0.530   3.023 -14.226
  699    H    LYS  93           HN       LYS  93  -4.154   5.940 -12.882
  700    HA   LYS  93           HA       LYS  93  -3.260   8.558 -12.348
  701    HB2  LYS  93           2HB      LYS  93  -6.036   7.381 -12.437
  702    HB3  LYS  93           1HB      LYS  93  -5.709   9.103 -12.268
  703    HG2  LYS  93           2HG      LYS  93  -4.810   7.377 -14.567
  704    HG3  LYS  93           1HG      LYS  93  -6.184   8.483 -14.587
  705    HD2  LYS  93           2HD      LYS  93  -4.789  10.378 -14.361
  706    HD3  LYS  93           1HD      LYS  93  -3.397   9.391 -13.919
  707    HE2  LYS  93           2HE      LYS  93  -3.443   8.414 -16.205
  708    HE3  LYS  93           1HE      LYS  93  -4.724   9.557 -16.619
  709    HZ1  LYS  93           3HZ      LYS  93  -2.067  10.385 -15.594
  710    HZ2  LYS  93           1HZ      LYS  93  -3.259  11.375 -16.272
  711    HZ3  LYS  93           2HZ      LYS  93  -2.422  10.270 -17.249
  712    H    GLU  94           HN       GLU  94  -4.861   6.153 -10.276
  713    HA   GLU  94           HA       GLU  94  -5.219   7.743  -8.033
  714    HB2  GLU  94           2HB      GLU  94  -4.692   4.819  -8.430
  715    HB3  GLU  94           1HB      GLU  94  -4.915   5.503  -6.825
  716    HG2  GLU  94           2HG      GLU  94  -6.889   5.906  -9.037
  717    HG3  GLU  94           1HG      GLU  94  -6.953   4.538  -7.936
  718    H    LEU  95           HN       LEU  95  -2.418   5.749  -8.935
  719    HA   LEU  95           HA       LEU  95  -0.882   6.492  -6.669
  720    HB2  LEU  95           2HB      LEU  95  -0.078   5.308  -9.323
  721    HB3  LEU  95           1HB      LEU  95   1.022   5.521  -7.974
  722    HG   LEU  95           HG       LEU  95  -1.443   3.761  -7.978
  723   HD11  LEU  95          1HD1      LEU  95   0.157   1.929  -7.825
  724   HD12  LEU  95          2HD1      LEU  95   1.493   3.074  -7.958
  725   HD13  LEU  95          3HD1      LEU  95   0.386   2.852  -9.312
  726   HD21  LEU  95          3HD2      LEU  95  -0.646   3.031  -5.786
  727   HD22  LEU  95          1HD2      LEU  95  -1.048   4.748  -5.796
  728   HD23  LEU  95          2HD2      LEU  95   0.638   4.237  -5.853
  729    H    GLN  96           HN       GLN  96  -1.218   7.772  -9.909
  730    HA   GLN  96           HA       GLN  96   0.923   9.553  -9.985
  731    HB2  GLN  96           2HB      GLN  96  -0.431   9.106 -11.946
  732    HB3  GLN  96           1HB      GLN  96  -1.847   9.804 -11.174
  733    HG2  GLN  96           2HG      GLN  96  -0.798  11.993 -11.187
  734    HG3  GLN  96           1HG      GLN  96   0.651  11.307 -11.918
  735   HE21  GLN  96          1HE2      GLN  96  -1.207  13.382 -12.867
  736   HE22  GLN  96          2HE2      GLN  96  -1.746  12.851 -14.417
  737    H    VAL  97           HN       VAL  97  -2.315   9.961  -8.603
  738    HA   VAL  97           HA       VAL  97  -2.095  12.676  -7.931
  739    HB   VAL  97           HB       VAL  97  -3.689  10.518  -6.531
  740   HG11  VAL  97          1HG1      VAL  97  -3.942  13.523  -6.399
  741   HG12  VAL  97          2HG1      VAL  97  -3.446  12.455  -5.086
  742   HG13  VAL  97          3HG1      VAL  97  -5.093  12.377  -5.715
  743   HG21  VAL  97          3HG2      VAL  97  -4.518  12.497  -8.654
  744   HG22  VAL  97          1HG2      VAL  97  -5.552  11.291  -7.889
  745   HG23  VAL  97          2HG2      VAL  97  -4.216  10.781  -8.923
  746    H    PHE  98           HN       PHE  98  -1.202   9.761  -6.117
  747    HA   PHE  98           HA       PHE  98  -0.494  11.112  -3.730
  748    HB2  PHE  98           2HB      PHE  98   0.423   8.428  -4.781
  749    HB3  PHE  98           1HB      PHE  98   0.701   9.013  -3.146
  750    HD1  PHE  98           2HD      PHE  98  -1.726  10.060  -2.207
  751    HD2  PHE  98           1HD      PHE  98  -1.135   6.772  -4.835
  752    HE1  PHE  98           2HE      PHE  98  -3.886   9.121  -1.504
  753    HE2  PHE  98           1HE      PHE  98  -3.297   5.822  -4.138
  754    HZ   PHE  98           HZ       PHE  98  -4.672   6.995  -2.468
  755    H    LEU  99           HN       LEU  99   1.264  10.283  -6.641
  756    HA   LEU  99           HA       LEU  99   3.878  10.776  -5.764
  757    HB2  LEU  99           2HB      LEU  99   2.605  11.030  -8.481
  758    HB3  LEU  99           1HB      LEU  99   4.328  11.203  -8.209
  759    HG   LEU  99           HG       LEU  99   2.775   8.711  -7.522
  760   HD11  LEU  99          1HD1      LEU  99   2.690   9.097  -9.926
  761   HD12  LEU  99          2HD1      LEU  99   3.754   7.744  -9.545
  762   HD13  LEU  99          3HD1      LEU  99   4.439   9.313  -9.964
  763   HD21  LEU  99          3HD2      LEU  99   5.019   7.704  -7.458
  764   HD22  LEU  99          1HD2      LEU  99   4.815   8.978  -6.254
  765   HD23  LEU  99          2HD2      LEU  99   5.722   9.298  -7.732
  766    H    ARG 100           HN       ARG 100   1.388  12.953  -6.935
  767    HA   ARG 100           HA       ARG 100   3.076  15.221  -7.293
  768    HB2  ARG 100           2HB      ARG 100   0.147  15.358  -6.669
  769    HB3  ARG 100           1HB      ARG 100   1.108  16.427  -7.677
  770    HG2  ARG 100           2HG      ARG 100   0.435  13.583  -8.329
  771    HG3  ARG 100           1HG      ARG 100  -0.398  15.000  -8.935
  772    HD2  ARG 100           2HD      ARG 100   2.477  14.228  -9.416
  773    HD3  ARG 100           1HD      ARG 100   1.176  14.231 -10.604
  774    HE   ARG 100           HE       ARG 100   1.150  16.764 -10.076
  775   HH11  ARG 100          1HH1      ARG 100   4.001  14.718 -10.193
  776   HH12  ARG 100          2HH1      ARG 100   5.062  16.010 -10.673
  777   HH21  ARG 100          1HH2      ARG 100   2.565  18.471 -10.683
  778   HH22  ARG 100          2HH2      ARG 100   4.252  18.129 -10.959
  779    H    ARG 101           HN       ARG 101   0.760  14.235  -4.835
  780    HA   ARG 101           HA       ARG 101   1.160  16.244  -2.969
  781    HB2  ARG 101           2HB      ARG 101  -0.527  14.515  -2.622
  782    HB3  ARG 101           1HB      ARG 101   0.732  13.301  -2.401
  783    HG2  ARG 101           2HG      ARG 101   1.539  14.711  -0.446
  784    HG3  ARG 101           1HG      ARG 101   0.019  15.594  -0.596
  785    HD2  ARG 101           2HD      ARG 101  -0.121  13.846   1.102
  786    HD3  ARG 101           1HD      ARG 101  -1.229  13.537  -0.231
  787    HE   ARG 101           HE       ARG 101  -0.098  11.611  -0.677
  788   HH11  ARG 101          1HH1      ARG 101   1.999  13.629   1.314
  789   HH12  ARG 101          2HH1      ARG 101   3.144  12.356   1.580
  790   HH21  ARG 101          1HH2      ARG 101   1.435   9.962  -0.295
  791   HH22  ARG 101          2HH2      ARG 101   2.846  10.303   0.663
  792    H    LEU 102           HN       LEU 102   3.026  13.232  -3.333
  793    HA   LEU 102           HA       LEU 102   4.820  13.709  -1.223
  794    HB2  LEU 102           2HB      LEU 102   4.612  11.528  -2.296
  795    HB3  LEU 102           1HB      LEU 102   5.239  12.185  -3.795
  796    HG   LEU 102           HG       LEU 102   7.396  12.652  -2.637
  797   HD11  LEU 102          1HD1      LEU 102   6.545  12.778  -0.352
  798   HD12  LEU 102          2HD1      LEU 102   7.847  11.596  -0.493
  799   HD13  LEU 102          3HD1      LEU 102   6.171  11.056  -0.394
  800   HD21  LEU 102          3HD2      LEU 102   8.150  10.324  -2.584
  801   HD22  LEU 102          1HD2      LEU 102   7.128  10.647  -3.985
  802   HD23  LEU 102          2HD2      LEU 102   6.473   9.783  -2.594
  803    H    ALA 103           HN       ALA 103   4.909  14.593  -4.638
  804    HA   ALA 103           HA       ALA 103   7.493  15.720  -4.630
  805    HB1  ALA 103           1HB      ALA 103   6.318  15.059  -6.679
  806    HB2  ALA 103           2HB      ALA 103   6.863  16.735  -6.746
  807    HB3  ALA 103           3HB      ALA 103   5.167  16.373  -6.434
  808    H    ARG 104           HN       ARG 104   4.323  17.065  -3.848
  809    HA   ARG 104           HA       ARG 104   5.098  19.778  -3.719
  810    HB2  ARG 104           2HB      ARG 104   2.956  18.304  -2.175
  811    HB3  ARG 104           1HB      ARG 104   3.156  20.048  -2.164
  812    HG2  ARG 104           2HG      ARG 104   2.774  20.041  -4.624
  813    HG3  ARG 104           1HG      ARG 104   2.401  18.319  -4.505
  814    HD2  ARG 104           2HD      ARG 104   0.624  18.857  -2.868
  815    HD3  ARG 104           1HD      ARG 104   0.960  20.569  -3.106
  816    HE   ARG 104           HE       ARG 104  -0.042  18.786  -5.239
  817   HH11  ARG 104          1HH1      ARG 104   0.036  21.878  -3.597
  818   HH12  ARG 104          2HH1      ARG 104  -1.153  22.609  -4.630
  819   HH21  ARG 104          1HH2      ARG 104  -1.618  19.739  -6.607
  820   HH22  ARG 104          2HH2      ARG 104  -2.113  21.382  -6.321
  821    H    GLU 105           HN       GLU 105   5.017  17.221  -1.273
  822    HA   GLU 105           HA       GLU 105   5.984  18.882   0.817
  823    HB2  GLU 105           2HB      GLU 105   5.714  15.894   0.532
  824    HB3  GLU 105           1HB      GLU 105   6.227  16.688   2.003
  825    HG2  GLU 105           2HG      GLU 105   4.085  17.969   1.972
  826    HG3  GLU 105           1HG      GLU 105   3.576  16.946   0.631
  827    H    ASP 106           HN       ASP 106   7.435  16.663  -1.471
  828    HA   ASP 106           HA       ASP 106  10.054  16.623  -0.446
  829    HB2  ASP 106           2HB      ASP 106   9.181  15.125  -2.235
  830    HB3  ASP 106           1HB      ASP 106   9.176  16.488  -3.340
  831    H    ALA 107           HN       ALA 107   8.480  18.707  -2.802
  832    HA   ALA 107           HA       ALA 107  10.603  20.296  -3.591
  833    HB1  ALA 107           1HB      ALA 107   8.977  21.915  -4.318
  834    HB2  ALA 107           2HB      ALA 107   7.747  21.200  -3.276
  835    HB3  ALA 107           3HB      ALA 107   8.379  20.290  -4.648
  836    H    LEU 108           HN       LEU 108   8.795  20.449  -0.606
  837    HA   LEU 108           HA       LEU 108   9.341  23.042   0.217
  838    HB2  LEU 108           2HB      LEU 108   9.167  20.516   1.860
  839    HB3  LEU 108           1HB      LEU 108   9.160  22.132   2.518
  840    HG   LEU 108           HG       LEU 108   7.075  21.009   0.680
  841   HD11  LEU 108          1HD1      LEU 108   5.622  21.051   2.643
  842   HD12  LEU 108          2HD1      LEU 108   6.977  21.594   3.632
  843   HD13  LEU 108          3HD1      LEU 108   7.012  19.993   2.896
  844   HD21  LEU 108          3HD2      LEU 108   7.188  23.640   2.141
  845   HD22  LEU 108          1HD2      LEU 108   5.834  23.049   1.181
  846   HD23  LEU 108          2HD2      LEU 108   7.373  23.416   0.401
  847    H    GLU 109           HN       GLU 109  11.348  20.149   0.363
  848    HA   GLU 109           HA       GLU 109  13.536  21.713   1.508
  849    HB2  GLU 109           2HB      GLU 109  13.404  18.737   1.091
  850    HB3  GLU 109           1HB      GLU 109  14.579  19.616   2.058
  851    HG2  GLU 109           2HG      GLU 109  12.893  20.201   3.663
  852    HG3  GLU 109           1HG      GLU 109  11.634  19.485   2.658
  853    H    HIS 110           HN       HIS 110  12.520  20.010  -1.248
  854    HA   HIS 110           HA       HIS 110  15.167  19.729  -2.393
  855    HB2  HIS 110           2HB      HIS 110  13.079  18.122  -2.500
  856    HB3  HIS 110           1HB      HIS 110  12.653  19.116  -3.886
  857    HD1  HIS 110           1HD      HIS 110  13.092  16.308  -4.525
  858    HD2  HIS 110           2HD      HIS 110  16.276  18.985  -4.321
  859    HE1  HIS 110           1HE      HIS 110  14.943  15.278  -5.898
  860    HE2  HIS 110           2HE      HIS 110  16.831  16.951  -5.831
  861    H    HIS 111           HN       HIS 111  13.178  22.264  -2.165
  862    HA   HIS 111           HA       HIS 111  12.879  23.334  -4.716
  863    HB2  HIS 111           2HB      HIS 111  11.782  24.348  -2.837
  864    HB3  HIS 111           1HB      HIS 111  13.316  24.672  -2.042
  865    HD1  HIS 111           1HD      HIS 111  14.276  26.937  -2.388
  866    HD2  HIS 111           2HD      HIS 111  11.421  25.975  -5.263
  867    HE1  HIS 111           1HE      HIS 111  13.942  29.027  -3.744
  868    HE2  HIS 111           2HE      HIS 111  12.118  28.467  -5.388
  869    H    HIS 112           HN       HIS 112  15.501  23.976  -2.380
  870    HA   HIS 112           HA       HIS 112  17.310  24.319  -4.662
  871    HB2  HIS 112           2HB      HIS 112  16.561  26.564  -3.813
  872    HB3  HIS 112           1HB      HIS 112  17.310  26.170  -2.270
  873    HD1  HIS 112           1HD      HIS 112  19.248  27.730  -2.200
  874    HD2  HIS 112           2HD      HIS 112  18.954  25.755  -5.846
  875    HE1  HIS 112           1HE      HIS 112  21.315  28.369  -3.486
  876    HE2  HIS 112           2HE      HIS 112  20.970  27.375  -5.779
  877    H    HIS 113           HN       HIS 113  17.599  22.074  -3.890
  878    HA   HIS 113           HA       HIS 113  19.908  22.001  -2.115
  879    HB2  HIS 113           2HB      HIS 113  17.323  20.638  -1.599
  880    HB3  HIS 113           1HB      HIS 113  18.770  19.664  -1.376
  881    HD1  HIS 113           1HD      HIS 113  16.638  22.029   0.336
  882    HD2  HIS 113           2HD      HIS 113  20.633  20.905   0.543
  883    HE1  HIS 113           1HE      HIS 113  17.450  22.825   2.581
  884    HE2  HIS 113           2HE      HIS 113  19.781  21.880   2.781
  885    H    HIS 114           HN       HIS 114  21.474  21.018  -3.127
  886    HA   HIS 114           HA       HIS 114  20.885  19.239  -5.363
  887    HB2  HIS 114           2HB      HIS 114  22.749  21.162  -5.129
  888    HB3  HIS 114           1HB      HIS 114  23.683  19.800  -4.519
  889    HD1  HIS 114           1HD      HIS 114  22.772  21.462  -7.579
  890    HD2  HIS 114           2HD      HIS 114  23.668  17.546  -6.491
  891    HE1  HIS 114           1HE      HIS 114  23.347  20.276  -9.717
  892    HE2  HIS 114           2HE      HIS 114  23.619  17.861  -9.060
  893    H    HIS 115           HN       HIS 115  21.950  19.230  -2.085
  894    HA   HIS 115           HA       HIS 115  22.201  16.297  -2.201
  895    HB2  HIS 115           2HB      HIS 115  24.396  17.281  -1.727
  896    HB3  HIS 115           1HB      HIS 115  23.709  18.210  -0.397
  897    HD1  HIS 115           1HD      HIS 115  23.930  17.173   1.838
  898    HD2  HIS 115           2HD      HIS 115  24.145  14.352  -1.211
  899    HE1  HIS 115           1HE      HIS 115  24.403  14.981   2.975
  900    HE2  HIS 115           2HE      HIS 115  24.678  13.314   1.103
  Start of MODEL   12
    1    H1   MET   1           H1       MET   1 -11.304   1.678  19.438
    2    H2   MET   1           H2       MET   1 -11.847   2.667  18.174
    3    H3   MET   1           H3       MET   1 -10.358   1.867  18.045
    4    HA   MET   1           HA       MET   1 -13.012   0.559  18.172
    5    HB2  MET   1           2HB      MET   1 -12.102   1.864  16.039
    6    HB3  MET   1           1HB      MET   1 -11.152   0.402  15.833
    7    HG2  MET   1           2HG      MET   1 -14.146   0.452  16.074
    8    HG3  MET   1           1HG      MET   1 -13.274   0.453  14.547
    9    HE1  MET   1           2HE      MET   1 -14.769  -3.152  14.690
   10    HE2  MET   1           3HE      MET   1 -14.644  -1.660  13.761
   11    HE3  MET   1           1HE      MET   1 -15.527  -1.676  15.291
   12    H    GLN   2           HN       GLN   2 -12.938  -1.533  18.752
   13    HA   GLN   2           HA       GLN   2 -10.568  -2.557  19.884
   14    HB2  GLN   2           2HB      GLN   2 -12.886  -3.117  20.601
   15    HB3  GLN   2           1HB      GLN   2 -13.049  -4.119  19.173
   16    HG2  GLN   2           2HG      GLN   2 -12.551  -5.475  21.106
   17    HG3  GLN   2           1HG      GLN   2 -11.209  -5.529  19.964
   18   HE21  GLN   2          1HE2      GLN   2 -11.332  -6.029  22.871
   19   HE22  GLN   2          2HE2      GLN   2 -10.153  -4.971  23.576
   20    H    ALA   3           HN       ALA   3  -9.398  -4.440  19.332
   21    HA   ALA   3           HA       ALA   3  -8.511  -4.255  16.637
   22    HB1  ALA   3           1HB      ALA   3  -6.801  -5.852  17.288
   23    HB2  ALA   3           2HB      ALA   3  -7.669  -6.190  18.788
   24    HB3  ALA   3           3HB      ALA   3  -6.979  -4.591  18.510
   25    H    ILE   4           HN       ILE   4  -9.820  -5.017  15.113
   26    HA   ILE   4           HA       ILE   4 -11.217  -7.500  15.263
   27    HB   ILE   4           HB       ILE   4 -10.458  -5.902  12.807
   28   HG12  ILE   4          2HG1      ILE   4 -12.987  -5.809  14.464
   29   HG13  ILE   4          1HG1      ILE   4 -11.734  -4.572  14.456
   30   HG21  ILE   4          1HG2      ILE   4 -12.624  -7.959  13.229
   31   HG22  ILE   4          2HG2      ILE   4 -11.153  -8.183  12.283
   32   HG23  ILE   4          3HG2      ILE   4 -12.370  -7.019  11.759
   33   HD11  ILE   4          3HD1      ILE   4 -13.453  -5.371  12.113
   34   HD12  ILE   4          1HD1      ILE   4 -12.202  -4.129  12.098
   35   HD13  ILE   4          2HD1      ILE   4 -13.638  -3.921  13.099
   36    H    THR   5           HN       THR   5  -8.012  -6.547  14.407
   37    HA   THR   5           HA       THR   5  -7.218  -8.551  12.660
   38    HB   THR   5           HB       THR   5  -5.086  -7.978  14.485
   39    HG1  THR   5           1HG      THR   5  -5.491  -5.985  15.054
   40   HG21  THR   5          3HG2      THR   5  -4.151  -6.829  12.518
   41   HG22  THR   5          1HG2      THR   5  -5.714  -6.952  11.714
   42   HG23  THR   5          2HG2      THR   5  -4.806  -8.413  12.101
   43    H    GLU   6           HN       GLU   6  -7.590  -8.617  16.147
   44    HA   GLU   6           HA       GLU   6  -6.055 -10.919  16.653
   45    HB2  GLU   6           2HB      GLU   6  -8.412  -9.910  18.248
   46    HB3  GLU   6           1HB      GLU   6  -7.126 -10.963  18.819
   47    HG2  GLU   6           2HG      GLU   6  -6.927  -8.068  18.056
   48    HG3  GLU   6           1HG      GLU   6  -6.698  -8.785  19.651
   49    H    ARG   7           HN       ARG   7  -9.550 -10.510  16.071
   50    HA   ARG   7           HA       ARG   7 -10.086 -13.310  16.339
   51    HB2  ARG   7           2HB      ARG   7 -12.334 -12.774  15.469
   52    HB3  ARG   7           1HB      ARG   7 -11.866 -11.745  16.815
   53    HG2  ARG   7           2HG      ARG   7 -11.377  -9.930  15.292
   54    HG3  ARG   7           1HG      ARG   7 -11.751 -10.962  13.910
   55    HD2  ARG   7           2HD      ARG   7 -13.699 -10.255  16.098
   56    HD3  ARG   7           1HD      ARG   7 -13.597  -9.424  14.547
   57    HE   ARG   7           HE       ARG   7 -13.991 -11.846  13.657
   58   HH11  ARG   7          1HH1      ARG   7 -15.441 -10.395  16.507
   59   HH12  ARG   7          2HH1      ARG   7 -16.923 -11.307  16.375
   60   HH21  ARG   7          1HH2      ARG   7 -15.960 -13.018  13.455
   61   HH22  ARG   7          2HH2      ARG   7 -17.210 -12.786  14.638
   62    H    LEU   8           HN       LEU   8  -9.345 -11.154  13.672
   63    HA   LEU   8           HA       LEU   8  -9.918 -12.984  11.587
   64    HB2  LEU   8           2HB      LEU   8  -7.957 -10.690  11.680
   65    HB3  LEU   8           1HB      LEU   8  -8.387 -11.566  10.225
   66    HG   LEU   8           HG       LEU   8 -10.282  -9.925  11.905
   67   HD11  LEU   8          1HD1      LEU   8  -9.112  -9.388   9.178
   68   HD12  LEU   8          2HD1      LEU   8  -8.672  -8.559  10.673
   69   HD13  LEU   8          3HD1      LEU   8 -10.301  -8.390  10.018
   70   HD21  LEU   8          3HD2      LEU   8 -11.880 -10.291  10.086
   71   HD22  LEU   8          1HD2      LEU   8 -11.408 -11.813  10.844
   72   HD23  LEU   8          2HD2      LEU   8 -10.725 -11.356   9.284
   73    H    GLU   9           HN       GLU   9  -7.003 -12.310  13.464
   74    HA   GLU   9           HA       GLU   9  -5.307 -14.113  12.123
   75    HB2  GLU   9           2HB      GLU   9  -4.509 -12.290  13.560
   76    HB3  GLU   9           1HB      GLU   9  -5.202 -13.088  14.966
   77    HG2  GLU   9           2HG      GLU   9  -3.694 -14.938  14.705
   78    HG3  GLU   9           1HG      GLU   9  -3.040 -14.231  13.229
   79    H    ALA  10           HN       ALA  10  -7.598 -14.462  14.747
   80    HA   ALA  10           HA       ALA  10  -6.861 -17.045  15.599
   81    HB1  ALA  10           1HB      ALA  10  -9.044 -17.140  16.651
   82    HB2  ALA  10           2HB      ALA  10  -9.592 -15.767  15.688
   83    HB3  ALA  10           3HB      ALA  10  -8.321 -15.549  16.890
   84    H    MET  11           HN       MET  11  -8.749 -15.898  12.908
   85    HA   MET  11           HA       MET  11 -10.162 -18.250  12.296
   86    HB2  MET  11           2HB      MET  11  -9.267 -15.948  10.562
   87    HB3  MET  11           1HB      MET  11 -10.315 -17.237  10.000
   88    HG2  MET  11           2HG      MET  11 -11.992 -16.627  11.642
   89    HG3  MET  11           1HG      MET  11 -10.926 -15.380  12.282
   90    HE1  MET  11           3HE      MET  11 -11.366 -16.343   8.522
   91    HE2  MET  11           1HE      MET  11 -12.652 -15.250   8.006
   92    HE3  MET  11           2HE      MET  11 -13.005 -16.551   9.143
   93    H    LEU  12           HN       LEU  12  -6.895 -17.230  11.587
   94    HA   LEU  12           HA       LEU  12  -6.246 -19.032   9.548
   95    HB2  LEU  12           2HB      LEU  12  -4.623 -17.729  11.712
   96    HB3  LEU  12           1HB      LEU  12  -3.890 -18.892  10.626
   97    HG   LEU  12           HG       LEU  12  -4.515 -17.445   8.705
   98   HD11  LEU  12          1HD1      LEU  12  -6.416 -16.277   9.694
   99   HD12  LEU  12          2HD1      LEU  12  -5.196 -15.139   9.116
  100   HD13  LEU  12          3HD1      LEU  12  -5.336 -15.480  10.840
  101   HD21  LEU  12          3HD2      LEU  12  -2.814 -15.748   9.126
  102   HD22  LEU  12          1HD2      LEU  12  -2.296 -17.331   9.705
  103   HD23  LEU  12          2HD2      LEU  12  -2.867 -16.117  10.850
  104    H    ALA  13           HN       ALA  13  -6.317 -19.412  13.037
  105    HA   ALA  13           HA       ALA  13  -5.091 -21.988  13.079
  106    HB1  ALA  13           1HB      ALA  13  -5.013 -20.482  15.007
  107    HB2  ALA  13           2HB      ALA  13  -5.749 -22.026  15.433
  108    HB3  ALA  13           3HB      ALA  13  -6.764 -20.607  15.179
  109    H    GLN  14           HN       GLN  14  -8.179 -20.903  12.238
  110    HA   GLN  14           HA       GLN  14  -9.552 -23.334  13.023
  111    HB2  GLN  14           2HB      GLN  14 -10.504 -20.943  11.434
  112    HB3  GLN  14           1HB      GLN  14 -11.520 -22.280  11.949
  113    HG2  GLN  14           2HG      GLN  14 -10.021 -20.448  13.804
  114    HG3  GLN  14           1HG      GLN  14 -11.722 -20.284  13.375
  115   HE21  GLN  14          1HE2      GLN  14  -9.378 -22.153  15.130
  116   HE22  GLN  14          2HE2      GLN  14 -10.509 -23.048  16.080
  117    H    GLY  15           HN       GLY  15  -7.559 -22.420  10.516
  118    HA2  GLY  15           2HA      GLY  15  -6.884 -24.190   9.018
  119    HA3  GLY  15           1HA      GLY  15  -8.564 -24.693   8.929
  120    H    THR  16           HN       THR  16  -9.387 -21.803   8.649
  121    HA   THR  16           HA       THR  16  -9.177 -21.819   5.764
  122    HB   THR  16           HB       THR  16 -10.793 -19.961   7.525
  123    HG1  THR  16           1HG      THR  16 -11.791 -21.864   7.797
  124   HG21  THR  16          3HG2      THR  16 -12.046 -19.479   5.477
  125   HG22  THR  16          1HG2      THR  16 -10.974 -20.539   4.561
  126   HG23  THR  16          2HG2      THR  16 -10.345 -19.057   5.279
  127    H    ASP  17           HN       ASP  17  -6.917 -21.328   5.812
  128    HA   ASP  17           HA       ASP  17  -6.584 -18.445   5.456
  129    HB2  ASP  17           2HB      ASP  17  -5.542 -18.885   7.629
  130    HB3  ASP  17           1HB      ASP  17  -4.590 -20.192   6.927
  131    H    ASN  18           HN       ASN  18  -6.154 -18.228   3.365
  132    HA   ASN  18           HA       ASN  18  -4.184 -20.025   2.159
  133    HB2  ASN  18           2HB      ASN  18  -6.869 -19.334   0.954
  134    HB3  ASN  18           1HB      ASN  18  -5.545 -20.052   0.044
  135   HD21  ASN  18          1HD2      ASN  18  -8.021 -20.591   2.396
  136   HD22  ASN  18          2HD2      ASN  18  -7.842 -22.307   2.504
  137    H    MET  19           HN       MET  19  -6.180 -17.406   0.776
  138    HA   MET  19           HA       MET  19  -3.797 -15.721   0.667
  139    HB2  MET  19           2HB      MET  19  -3.663 -16.918  -1.408
  140    HB3  MET  19           1HB      MET  19  -5.354 -16.602  -1.764
  141    HG2  MET  19           2HG      MET  19  -3.822 -15.212  -3.077
  142    HG3  MET  19           1HG      MET  19  -4.900 -14.256  -2.057
  143    HE1  MET  19           3HE      MET  19  -1.615 -12.124  -2.115
  144    HE2  MET  19           1HE      MET  19  -3.351 -12.141  -2.417
  145    HE3  MET  19           2HE      MET  19  -2.272 -13.097  -3.430
  146    H    LEU  20           HN       LEU  20  -7.195 -15.898  -0.415
  147    HA   LEU  20           HA       LEU  20  -7.420 -13.036  -0.428
  148    HB2  LEU  20           2HB      LEU  20  -8.595 -14.841  -1.927
  149    HB3  LEU  20           1HB      LEU  20  -9.768 -14.883  -0.631
  150    HG   LEU  20           HG       LEU  20 -10.424 -13.426  -2.532
  151   HD11  LEU  20          1HD1      LEU  20 -11.107 -11.488  -1.204
  152   HD12  LEU  20          2HD1      LEU  20 -10.008 -11.988   0.082
  153   HD13  LEU  20          3HD1      LEU  20 -11.385 -13.005  -0.348
  154   HD21  LEU  20          3HD2      LEU  20  -8.092 -11.741  -1.637
  155   HD22  LEU  20          1HD2      LEU  20  -9.306 -11.272  -2.826
  156   HD23  LEU  20          2HD2      LEU  20  -8.220 -12.619  -3.161
  157    H    LEU  21           HN       LEU  21  -6.732 -12.993   1.852
  158    HA   LEU  21           HA       LEU  21  -8.887 -12.070   3.399
  159    HB2  LEU  21           2HB      LEU  21  -8.800 -13.626   5.290
  160    HB3  LEU  21           1HB      LEU  21  -9.363 -14.405   3.826
  161    HG   LEU  21           HG       LEU  21  -6.744 -15.045   3.691
  162   HD11  LEU  21          1HD1      LEU  21  -5.946 -15.667   5.905
  163   HD12  LEU  21          2HD1      LEU  21  -7.376 -14.938   6.636
  164   HD13  LEU  21          3HD1      LEU  21  -6.202 -13.923   5.798
  165   HD21  LEU  21          3HD2      LEU  21  -8.839 -16.510   5.292
  166   HD22  LEU  21          1HD2      LEU  21  -7.377 -17.219   4.605
  167   HD23  LEU  21          2HD2      LEU  21  -8.635 -16.588   3.541
  168    H    ARG  22           HN       ARG  22  -5.547 -13.095   3.187
  169    HA   ARG  22           HA       ARG  22  -4.737 -11.835   5.610
  170    HB2  ARG  22           2HB      ARG  22  -2.464 -12.357   4.946
  171    HB3  ARG  22           1HB      ARG  22  -3.509 -13.741   4.671
  172    HG2  ARG  22           2HG      ARG  22  -3.593 -13.170   2.276
  173    HG3  ARG  22           1HG      ARG  22  -2.481 -11.834   2.578
  174    HD2  ARG  22           2HD      ARG  22  -1.125 -13.596   1.811
  175    HD3  ARG  22           1HD      ARG  22  -0.903 -13.574   3.559
  176    HE   ARG  22           HE       ARG  22  -2.415 -15.573   2.022
  177   HH11  ARG  22          1HH1      ARG  22  -0.992 -14.542   5.055
  178   HH12  ARG  22          2HH1      ARG  22  -1.184 -16.093   5.813
  179   HH21  ARG  22          1HH2      ARG  22  -2.616 -17.622   3.009
  180   HH22  ARG  22          2HH2      ARG  22  -2.141 -17.832   4.672
  181    H    PHE  23           HN       PHE  23  -5.369 -10.631   2.481
  182    HA   PHE  23           HA       PHE  23  -3.602  -8.402   2.538
  183    HB2  PHE  23           2HB      PHE  23  -4.861  -7.533   0.679
  184    HB3  PHE  23           1HB      PHE  23  -4.682  -9.268   0.458
  185    HD1  PHE  23           1HD      PHE  23  -6.661 -10.749   1.149
  186    HD2  PHE  23           2HD      PHE  23  -6.954  -6.540   0.588
  187    HE1  PHE  23           1HE      PHE  23  -9.093 -10.959   0.862
  188    HE2  PHE  23           2HE      PHE  23  -9.390  -6.746   0.303
  189    HZ   PHE  23           HZ       PHE  23 -10.461  -8.959   0.439
  190    H    THR  24           HN       THR  24  -6.829  -9.011   3.750
  191    HA   THR  24           HA       THR  24  -7.476  -6.349   4.441
  192    HB   THR  24           HB       THR  24  -8.473  -8.885   5.758
  193    HG1  THR  24           1HG      THR  24  -9.941  -9.013   4.119
  194   HG21  THR  24          3HG2      THR  24  -9.046  -6.843   6.984
  195   HG22  THR  24          1HG2      THR  24 -10.482  -7.547   6.241
  196   HG23  THR  24          2HG2      THR  24  -9.715  -6.134   5.514
  197    H    LEU  25           HN       LEU  25  -5.739  -8.933   6.076
  198    HA   LEU  25           HA       LEU  25  -5.423  -7.720   8.589
  199    HB2  LEU  25           2HB      LEU  25  -3.533  -9.535   7.078
  200    HB3  LEU  25           1HB      LEU  25  -3.367  -9.114   8.772
  201    HG   LEU  25           HG       LEU  25  -5.665 -10.656   7.567
  202   HD11  LEU  25          1HD1      LEU  25  -3.375 -11.542   9.313
  203   HD12  LEU  25          2HD1      LEU  25  -3.606 -11.945   7.611
  204   HD13  LEU  25          3HD1      LEU  25  -4.742 -12.542   8.822
  205   HD21  LEU  25          3HD2      LEU  25  -6.340  -9.287   9.481
  206   HD22  LEU  25          1HD2      LEU  25  -5.045  -9.999  10.443
  207   HD23  LEU  25          2HD2      LEU  25  -6.372 -11.008   9.865
  208    H    GLY  26           HN       GLY  26  -3.527  -7.502   5.605
  209    HA2  GLY  26           2HA      GLY  26  -1.469  -5.837   6.522
  210    HA3  GLY  26           1HA      GLY  26  -2.027  -5.930   4.858
  211    H    LYS  27           HN       LYS  27  -4.610  -4.999   5.093
  212    HA   LYS  27           HA       LYS  27  -4.390  -2.224   5.152
  213    HB2  LYS  27           2HB      LYS  27  -6.772  -4.020   5.600
  214    HB3  LYS  27           1HB      LYS  27  -6.899  -2.276   5.479
  215    HG2  LYS  27           2HG      LYS  27  -5.977  -2.390   3.202
  216    HG3  LYS  27           1HG      LYS  27  -5.925  -4.152   3.337
  217    HD2  LYS  27           2HD      LYS  27  -8.283  -4.296   3.515
  218    HD3  LYS  27           1HD      LYS  27  -8.444  -2.553   3.739
  219    HE2  LYS  27           2HE      LYS  27  -7.706  -2.176   1.455
  220    HE3  LYS  27           1HE      LYS  27  -7.462  -3.905   1.230
  221    HZ1  LYS  27           3HZ      LYS  27 -10.044  -2.527   1.717
  222    HZ2  LYS  27           1HZ      LYS  27  -9.856  -4.211   1.672
  223    HZ3  LYS  27           2HZ      LYS  27  -9.553  -3.286   0.284
  224    H    THR  28           HN       THR  28  -5.536  -4.466   7.633
  225    HA   THR  28           HA       THR  28  -6.309  -2.512   9.489
  226    HB   THR  28           HB       THR  28  -5.461  -5.344  10.121
  227    HG1  THR  28           1HG      THR  28  -7.014  -5.561   8.568
  228   HG21  THR  28          3HG2      THR  28  -7.415  -3.467  11.468
  229   HG22  THR  28          1HG2      THR  28  -5.825  -3.918  12.081
  230   HG23  THR  28          2HG2      THR  28  -7.094  -5.134  11.946
  231    H    TYR  29           HN       TYR  29  -3.239  -4.195   8.989
  232    HA   TYR  29           HA       TYR  29  -1.927  -3.221  11.286
  233    HB2  TYR  29           2HB      TYR  29  -0.767  -3.882   8.569
  234    HB3  TYR  29           1HB      TYR  29   0.186  -3.578  10.015
  235    HD1  TYR  29           2HD      TYR  29  -1.121  -5.100  12.091
  236    HD2  TYR  29           1HD      TYR  29  -0.565  -6.085   7.993
  237    HE1  TYR  29           2HE      TYR  29  -1.243  -7.492  12.652
  238    HE2  TYR  29           1HE      TYR  29  -0.686  -8.473   8.544
  239    HH   TYR  29           HH       TYR  29  -1.684  -9.610  11.634
  240    H    ALA  30           HN       ALA  30  -2.235  -1.901   8.012
  241    HA   ALA  30           HA       ALA  30  -0.503   0.300   8.452
  242    HB1  ALA  30           1HB      ALA  30  -1.029  -0.564   6.212
  243    HB2  ALA  30           2HB      ALA  30  -1.342   1.166   6.349
  244    HB3  ALA  30           3HB      ALA  30  -2.682   0.021   6.387
  245    H    GLU  31           HN       GLU  31  -4.019  -0.049   8.606
  246    HA   GLU  31           HA       GLU  31  -4.598   2.658   9.157
  247    HB2  GLU  31           2HB      GLU  31  -6.138   0.171   9.926
  248    HB3  GLU  31           1HB      GLU  31  -6.771   1.811   9.967
  249    HG2  GLU  31           2HG      GLU  31  -5.784   0.415   7.492
  250    HG3  GLU  31           1HG      GLU  31  -7.475   0.525   7.983
  251    H    HIS  32           HN       HIS  32  -3.574   0.001  11.171
  252    HA   HIS  32           HA       HIS  32  -4.047   1.478  13.628
  253    HB2  HIS  32           2HB      HIS  32  -2.955  -1.262  13.033
  254    HB3  HIS  32           1HB      HIS  32  -2.901  -0.571  14.644
  255    HD1  HIS  32           1HD      HIS  32  -4.432  -2.601  15.362
  256    HD2  HIS  32           2HD      HIS  32  -6.184   0.102  12.733
  257    HE1  HIS  32           1HE      HIS  32  -6.900  -3.095  15.424
  258    HE2  HIS  32           2HE      HIS  32  -7.951  -1.356  13.931
  259    H    GLU  33           HN       GLU  33  -1.851   1.801  11.319
  260    HA   GLU  33           HA       GLU  33   0.204   2.709  11.135
  261    HB2  GLU  33           2HB      GLU  33  -0.140   3.287  14.082
  262    HB3  GLU  33           1HB      GLU  33   1.085   3.996  13.041
  263    HG2  GLU  33           2HG      GLU  33  -0.642   5.054  11.697
  264    HG3  GLU  33           1HG      GLU  33  -1.885   4.321  12.708
  265    H    GLN  34           HN       GLN  34  -0.183  -0.105  11.864
  266    HA   GLN  34           HA       GLN  34   2.291  -0.750  13.312
  267    HB2  GLN  34           2HB      GLN  34   0.058  -2.566  12.363
  268    HB3  GLN  34           1HB      GLN  34   1.419  -3.045  13.368
  269    HG2  GLN  34           2HG      GLN  34   0.624  -1.617  15.162
  270    HG3  GLN  34           1HG      GLN  34  -0.712  -1.064  14.155
  271   HE21  GLN  34          1HE2      GLN  34   0.450  -4.359  14.206
  272   HE22  GLN  34          2HE2      GLN  34  -0.942  -5.044  14.965
  273    H    PHE  35           HN       PHE  35   2.809   0.397  10.943
  274    HA   PHE  35           HA       PHE  35   2.622  -1.030   8.587
  275    HB2  PHE  35           2HB      PHE  35   4.794   0.901   9.414
  276    HB3  PHE  35           1HB      PHE  35   4.480   0.379   7.764
  277    HD1  PHE  35           1HD      PHE  35   2.287   0.969   6.699
  278    HD2  PHE  35           2HD      PHE  35   3.570   2.643  10.394
  279    HE1  PHE  35           1HE      PHE  35   0.671   2.804   6.425
  280    HE2  PHE  35           2HE      PHE  35   1.951   4.475  10.131
  281    HZ   PHE  35           HZ       PHE  35   0.505   4.561   8.144
  282    H    ASP  36           HN       ASP  36   5.159  -1.216  11.045
  283    HA   ASP  36           HA       ASP  36   7.074  -2.694   9.668
  284    HB2  ASP  36           2HB      ASP  36   7.254  -1.708  11.992
  285    HB3  ASP  36           1HB      ASP  36   6.364  -3.108  12.573
  286    H    ALA  37           HN       ALA  37   4.214  -3.766  11.370
  287    HA   ALA  37           HA       ALA  37   4.773  -6.560  11.156
  288    HB1  ALA  37           1HB      ALA  37   2.169  -5.181  11.802
  289    HB2  ALA  37           2HB      ALA  37   3.407  -5.632  12.974
  290    HB3  ALA  37           3HB      ALA  37   2.548  -6.882  12.074
  291    H    ALA  38           HN       ALA  38   3.193  -4.194   9.187
  292    HA   ALA  38           HA       ALA  38   1.599  -5.977   7.657
  293    HB1  ALA  38           1HB      ALA  38   1.132  -3.573   7.824
  294    HB2  ALA  38           2HB      ALA  38   1.277  -4.105   6.147
  295    HB3  ALA  38           3HB      ALA  38   2.604  -3.233   6.914
  296    H    LEU  39           HN       LEU  39   4.884  -4.763   7.359
  297    HA   LEU  39           HA       LEU  39   5.369  -5.187   4.673
  298    HB2  LEU  39           2HB      LEU  39   7.061  -5.033   7.083
  299    HB3  LEU  39           1HB      LEU  39   7.796  -5.803   5.692
  300    HG   LEU  39           HG       LEU  39   7.369  -3.777   4.353
  301   HD11  LEU  39          1HD1      LEU  39   5.403  -2.952   5.546
  302   HD12  LEU  39          2HD1      LEU  39   6.662  -1.722   5.437
  303   HD13  LEU  39          3HD1      LEU  39   6.410  -2.591   6.951
  304   HD21  LEU  39          3HD2      LEU  39   8.850  -3.302   6.934
  305   HD22  LEU  39          1HD2      LEU  39   9.030  -2.356   5.457
  306   HD23  LEU  39          2HD2      LEU  39   9.503  -4.054   5.479
  307    HA   PRO  40           HA       PRO  40   7.010  -9.696   5.507
  308    HB2  PRO  40           2HB      PRO  40   5.868 -10.941   7.691
  309    HB3  PRO  40           1HB      PRO  40   7.484 -10.232   7.665
  310    HG2  PRO  40           2HG      PRO  40   4.934  -9.106   8.729
  311    HG3  PRO  40           1HG      PRO  40   6.576  -8.993   9.390
  312    HD2  PRO  40           2HD      PRO  40   5.432  -6.947   8.076
  313    HD3  PRO  40           1HD      PRO  40   7.172  -7.277   7.959
  314    H    HIS  41           HN       HIS  41   3.737  -8.912   6.620
  315    HA   HIS  41           HA       HIS  41   2.585 -11.307   5.568
  316    HB2  HIS  41           2HB      HIS  41   1.350  -8.728   6.541
  317    HB3  HIS  41           1HB      HIS  41   0.398 -10.098   5.975
  318    HD1  HIS  41           1HD      HIS  41   0.501 -12.279   7.446
  319    HD2  HIS  41           2HD      HIS  41   2.308  -8.935   9.117
  320    HE1  HIS  41           1HE      HIS  41   0.806 -12.824   9.880
  321    HE2  HIS  41           2HE      HIS  41   1.656 -10.686  10.907
  322    H    LEU  42           HN       LEU  42   2.890  -7.977   4.409
  323    HA   LEU  42           HA       LEU  42   1.289  -8.379   2.083
  324    HB2  LEU  42           2HB      LEU  42   3.359  -6.282   2.726
  325    HB3  LEU  42           1HB      LEU  42   2.335  -6.250   1.302
  326    HG   LEU  42           HG       LEU  42   1.367  -6.116   4.158
  327   HD11  LEU  42          1HD1      LEU  42   2.533  -4.088   3.432
  328   HD12  LEU  42          2HD1      LEU  42   0.806  -3.812   3.654
  329   HD13  LEU  42          3HD1      LEU  42   1.469  -3.987   2.030
  330   HD21  LEU  42          3HD2      LEU  42  -0.142  -5.902   1.557
  331   HD22  LEU  42          1HD2      LEU  42  -0.815  -5.619   3.161
  332   HD23  LEU  42          2HD2      LEU  42  -0.245  -7.227   2.716
  333    H    ARG  43           HN       ARG  43   4.744  -8.572   2.761
  334    HA   ARG  43           HA       ARG  43   5.618  -8.924   0.100
  335    HB2  ARG  43           2HB      ARG  43   7.119  -8.404   2.011
  336    HB3  ARG  43           1HB      ARG  43   6.859 -10.027   2.630
  337    HG2  ARG  43           2HG      ARG  43   8.978  -9.912   1.493
  338    HG3  ARG  43           1HG      ARG  43   7.874 -10.943   0.578
  339    HD2  ARG  43           2HD      ARG  43   7.423  -9.129  -0.973
  340    HD3  ARG  43           1HD      ARG  43   8.440  -8.040  -0.027
  341    HE   ARG  43           HE       ARG  43  10.092 -10.115  -0.670
  342   HH11  ARG  43          1HH1      ARG  43   8.112  -7.880  -2.519
  343   HH12  ARG  43          2HH1      ARG  43   9.126  -7.942  -3.925
  344   HH21  ARG  43          1HH2      ARG  43  11.449 -10.170  -2.511
  345   HH22  ARG  43          2HH2      ARG  43  11.029  -9.233  -3.920
  346    H    ALA  44           HN       ALA  44   4.421 -11.168   2.529
  347    HA   ALA  44           HA       ALA  44   5.001 -13.544   1.073
  348    HB1  ALA  44           1HB      ALA  44   2.978 -13.088   3.264
  349    HB2  ALA  44           2HB      ALA  44   4.663 -13.556   3.495
  350    HB3  ALA  44           3HB      ALA  44   3.545 -14.654   2.684
  351    H    ALA  45           HN       ALA  45   2.093 -11.534   1.422
  352    HA   ALA  45           HA       ALA  45   0.345 -13.119  -0.087
  353    HB1  ALA  45           1HB      ALA  45   0.360 -10.115   0.189
  354    HB2  ALA  45           2HB      ALA  45  -0.400 -11.251   1.305
  355    HB3  ALA  45           3HB      ALA  45  -1.000 -11.102  -0.348
  356    H    LEU  46           HN       LEU  46   2.430 -10.431  -1.086
  357    HA   LEU  46           HA       LEU  46   1.765 -10.566  -3.837
  358    HB2  LEU  46           2HB      LEU  46   4.145  -9.395  -2.405
  359    HB3  LEU  46           1HB      LEU  46   3.901  -9.250  -4.136
  360    HG   LEU  46           HG       LEU  46   2.038  -8.170  -2.013
  361   HD11  LEU  46          1HD1      LEU  46   2.809  -5.977  -2.791
  362   HD12  LEU  46          2HD1      LEU  46   3.975  -6.768  -3.850
  363   HD13  LEU  46          3HD1      LEU  46   4.123  -6.927  -2.100
  364   HD21  LEU  46          3HD2      LEU  46   0.887  -8.848  -4.072
  365   HD22  LEU  46          1HD2      LEU  46   1.995  -7.850  -5.013
  366   HD23  LEU  46          2HD2      LEU  46   0.887  -7.095  -3.866
  367    H    ASP  47           HN       ASP  47   3.911 -12.404  -1.853
  368    HA   ASP  47           HA       ASP  47   5.644 -13.308  -3.921
  369    HB2  ASP  47           2HB      ASP  47   5.958 -13.416  -1.340
  370    HB3  ASP  47           1HB      ASP  47   5.050 -14.919  -1.457
  371    H    PHE  48           HN       PHE  48   2.589 -14.423  -2.602
  372    HA   PHE  48           HA       PHE  48   2.575 -16.832  -4.194
  373    HB2  PHE  48           2HB      PHE  48   0.386 -15.523  -2.567
  374    HB3  PHE  48           1HB      PHE  48   0.244 -17.085  -3.361
  375    HD1  PHE  48           1HD      PHE  48   2.454 -18.625  -2.776
  376    HD2  PHE  48           2HD      PHE  48   0.681 -15.650  -0.308
  377    HE1  PHE  48           1HE      PHE  48   3.380 -19.731  -0.781
  378    HE2  PHE  48           2HE      PHE  48   1.607 -16.745   1.690
  379    HZ   PHE  48           HZ       PHE  48   2.958 -18.787   1.457
  380    H    ASP  49           HN       ASP  49   0.961 -13.669  -4.294
  381    HA   ASP  49           HA       ASP  49   0.424 -14.105  -7.136
  382    HB2  ASP  49           2HB      ASP  49  -1.606 -14.750  -5.661
  383    HB3  ASP  49           1HB      ASP  49  -1.780 -13.019  -5.393
  384    HA   PRO  50           HA       PRO  50   2.267 -10.035  -6.185
  385    HB2  PRO  50           2HB      PRO  50   3.719  -9.832  -8.454
  386    HB3  PRO  50           1HB      PRO  50   4.230 -10.820  -7.079
  387    HG2  PRO  50           2HG      PRO  50   2.874 -11.661  -9.616
  388    HG3  PRO  50           1HG      PRO  50   4.237 -12.418  -8.773
  389    HD2  PRO  50           2HD      PRO  50   1.692 -13.330  -8.562
  390    HD3  PRO  50           1HD      PRO  50   2.872 -13.464  -7.242
  391    H    THR  51           HN       THR  51   0.009 -10.941  -8.517
  392    HA   THR  51           HA       THR  51   0.042  -8.339  -9.843
  393    HB   THR  51           HB       THR  51  -0.077 -10.335 -11.274
  394    HG1  THR  51           1HG      THR  51  -2.291  -8.557 -11.236
  395   HG21  THR  51          3HG2      THR  51  -2.737 -10.800  -9.930
  396   HG22  THR  51          1HG2      THR  51  -1.310 -11.829  -9.812
  397   HG23  THR  51          2HG2      THR  51  -2.151 -11.661 -11.353
  398    H    TYR  52           HN       TYR  52  -1.081  -9.178  -7.035
  399    HA   TYR  52           HA       TYR  52  -3.838  -8.434  -7.243
  400    HB2  TYR  52           2HB      TYR  52  -2.809  -9.850  -5.382
  401    HB3  TYR  52           1HB      TYR  52  -2.184  -8.343  -4.719
  402    HD1  TYR  52           1HD      TYR  52  -5.408  -9.754  -5.965
  403    HD2  TYR  52           2HD      TYR  52  -3.456  -7.300  -3.087
  404    HE1  TYR  52           1HE      TYR  52  -7.560  -9.386  -4.835
  405    HE2  TYR  52           2HE      TYR  52  -5.602  -6.923  -1.945
  406    HH   TYR  52           HH       TYR  52  -8.405  -8.739  -2.622
  407    H    SER  53           HN       SER  53  -3.964  -6.527  -8.267
  408    HA   SER  53           HA       SER  53  -2.397  -4.326  -8.212
  409    HB2  SER  53           2HB      SER  53  -5.384  -4.114  -8.421
  410    HB3  SER  53           1HB      SER  53  -4.147  -3.231  -9.320
  411    HG   SER  53           HG       SER  53  -4.717  -4.751 -10.742
  412    H    VAL  54           HN       VAL  54  -4.970  -5.063  -5.907
  413    HA   VAL  54           HA       VAL  54  -5.185  -2.525  -4.732
  414    HB   VAL  54           HB       VAL  54  -5.599  -5.203  -3.387
  415   HG11  VAL  54          1HG1      VAL  54  -5.467  -3.388  -1.776
  416   HG12  VAL  54          2HG1      VAL  54  -7.123  -3.980  -1.901
  417   HG13  VAL  54          3HG1      VAL  54  -6.665  -2.469  -2.686
  418   HG21  VAL  54          3HG2      VAL  54  -7.953  -4.931  -4.007
  419   HG22  VAL  54          1HG2      VAL  54  -6.908  -5.023  -5.424
  420   HG23  VAL  54          2HG2      VAL  54  -7.544  -3.464  -4.898
  421    H    ALA  55           HN       ALA  55  -2.991  -5.213  -4.100
  422    HA   ALA  55           HA       ALA  55  -1.955  -4.182  -1.663
  423    HB1  ALA  55           1HB      ALA  55  -0.699  -6.192  -3.521
  424    HB2  ALA  55           2HB      ALA  55  -1.887  -6.567  -2.275
  425    HB3  ALA  55           3HB      ALA  55  -0.306  -5.933  -1.823
  426    H    TRP  56           HN       TRP  56  -1.165  -3.678  -5.019
  427    HA   TRP  56           HA       TRP  56   1.467  -2.759  -4.801
  428    HB2  TRP  56           2HB      TRP  56  -0.665  -1.779  -6.716
  429    HB3  TRP  56           1HB      TRP  56   1.070  -1.575  -6.918
  430    HD1  TRP  56           1HD      TRP  56   1.454  -4.822  -5.948
  431    HE1  TRP  56           1HE      TRP  56   1.127  -6.572  -7.805
  432    HE3  TRP  56           3HE      TRP  56  -1.163  -1.968  -9.273
  433    HZ2  TRP  56           2HZ      TRP  56  -0.089  -6.716 -10.342
  434    HZ3  TRP  56           3HZ      TRP  56  -1.877  -2.991 -11.392
  435    HH2  TRP  56           2HH      TRP  56  -1.350  -5.313 -11.916
  436    H    LYS  57           HN       LYS  57  -1.598  -1.037  -4.544
  437    HA   LYS  57           HA       LYS  57  -0.538   1.556  -4.232
  438    HB2  LYS  57           2HB      LYS  57  -2.808   1.316  -4.890
  439    HB3  LYS  57           1HB      LYS  57  -3.187   0.323  -3.499
  440    HG2  LYS  57           2HG      LYS  57  -2.622   2.386  -2.097
  441    HG3  LYS  57           1HG      LYS  57  -2.721   3.276  -3.616
  442    HD2  LYS  57           2HD      LYS  57  -4.904   1.574  -2.418
  443    HD3  LYS  57           1HD      LYS  57  -4.849   3.338  -2.415
  444    HE2  LYS  57           2HE      LYS  57  -5.071   3.430  -4.783
  445    HE3  LYS  57           1HE      LYS  57  -4.819   1.691  -4.937
  446    HZ1  LYS  57           3HZ      LYS  57  -7.172   2.406  -5.134
  447    HZ2  LYS  57           1HZ      LYS  57  -7.123   2.907  -3.512
  448    HZ3  LYS  57           2HZ      LYS  57  -6.905   1.271  -3.901
  449    H    TRP  58           HN       TRP  58  -1.549  -0.887  -1.864
  450    HA   TRP  58           HA       TRP  58  -1.156   0.769   0.402
  451    HB2  TRP  58           2HB      TRP  58  -1.348  -2.229   0.109
  452    HB3  TRP  58           1HB      TRP  58  -1.174  -1.427   1.667
  453    HD1  TRP  58           1HD      TRP  58  -3.697  -1.922  -1.178
  454    HE1  TRP  58           1HE      TRP  58  -6.037  -1.293  -0.311
  455    HE3  TRP  58           3HE      TRP  58  -2.388  -0.003   3.380
  456    HZ2  TRP  58           2HZ      TRP  58  -7.175  -0.152   1.989
  457    HZ3  TRP  58           3HZ      TRP  58  -4.170   0.840   4.853
  458    HH2  TRP  58           2HH      TRP  58  -6.515   0.767   4.168
  459    H    LEU  59           HN       LEU  59   0.884  -1.629  -1.213
  460    HA   LEU  59           HA       LEU  59   2.969  -1.728   0.636
  461    HB2  LEU  59           2HB      LEU  59   2.534  -3.144  -1.475
  462    HB3  LEU  59           1HB      LEU  59   3.370  -1.878  -2.345
  463    HG   LEU  59           HG       LEU  59   4.766  -3.880  -1.788
  464   HD11  LEU  59          1HD1      LEU  59   6.723  -2.605  -1.016
  465   HD12  LEU  59          2HD1      LEU  59   5.667  -1.243  -0.645
  466   HD13  LEU  59          3HD1      LEU  59   5.850  -1.790  -2.312
  467   HD21  LEU  59          3HD2      LEU  59   4.442  -2.852   1.025
  468   HD22  LEU  59          1HD2      LEU  59   5.605  -4.077   0.516
  469   HD23  LEU  59          2HD2      LEU  59   3.875  -4.398   0.392
  470    H    GLY  60           HN       GLY  60   2.554   0.374  -2.204
  471    HA2  GLY  60           2HA      GLY  60   4.959   1.822  -1.842
  472    HA3  GLY  60           1HA      GLY  60   3.580   2.337  -2.803
  473    H    LYS  61           HN       LYS  61   1.673   2.347  -0.644
  474    HA   LYS  61           HA       LYS  61   2.124   4.985   0.258
  475    HB2  LYS  61           2HB      LYS  61  -0.101   3.837  -0.268
  476    HB3  LYS  61           1HB      LYS  61   0.033   3.099   1.324
  477    HG2  LYS  61           2HG      LYS  61   0.241   5.370   2.274
  478    HG3  LYS  61           1HG      LYS  61  -0.116   6.021   0.680
  479    HD2  LYS  61           2HD      LYS  61  -2.160   6.010   1.904
  480    HD3  LYS  61           1HD      LYS  61  -2.250   4.698   0.728
  481    HE2  LYS  61           2HE      LYS  61  -1.781   3.063   2.402
  482    HE3  LYS  61           1HE      LYS  61  -1.399   4.309   3.589
  483    HZ1  LYS  61           3HZ      LYS  61  -3.747   5.055   3.394
  484    HZ2  LYS  61           1HZ      LYS  61  -3.566   3.499   4.047
  485    HZ3  LYS  61           2HZ      LYS  61  -4.067   3.691   2.438
  486    H    THR  62           HN       THR  62   2.777   1.861   1.566
  487    HA   THR  62           HA       THR  62   2.790   2.397   4.306
  488    HB   THR  62           HB       THR  62   4.559   0.481   2.768
  489    HG1  THR  62           1HG      THR  62   2.277   0.129   2.511
  490   HG21  THR  62          3HG2      THR  62   4.731  -0.742   4.895
  491   HG22  THR  62          1HG2      THR  62   3.822   0.539   5.699
  492   HG23  THR  62          2HG2      THR  62   5.414   0.880   5.022
  493    H    LEU  63           HN       LEU  63   5.294   2.902   1.844
  494    HA   LEU  63           HA       LEU  63   7.387   3.652   3.528
  495    HB2  LEU  63           2HB      LEU  63   6.687   4.408   0.706
  496    HB3  LEU  63           1HB      LEU  63   8.139   4.998   1.489
  497    HG   LEU  63           HG       LEU  63   8.644   3.112   0.073
  498   HD11  LEU  63          1HD1      LEU  63   9.777   1.667   1.702
  499   HD12  LEU  63          2HD1      LEU  63   8.843   2.419   2.994
  500   HD13  LEU  63          3HD1      LEU  63   9.992   3.379   2.064
  501   HD21  LEU  63          3HD2      LEU  63   6.507   1.973   0.074
  502   HD22  LEU  63          1HD2      LEU  63   6.728   1.534   1.769
  503   HD23  LEU  63          2HD2      LEU  63   7.801   0.867   0.540
  504    H    GLN  64           HN       GLN  64   4.793   5.583   2.085
  505    HA   GLN  64           HA       GLN  64   5.625   8.107   3.005
  506    HB2  GLN  64           2HB      GLN  64   3.945   7.996   1.317
  507    HB3  GLN  64           1HB      GLN  64   2.908   6.991   2.313
  508    HG2  GLN  64           2HG      GLN  64   2.053   9.253   2.157
  509    HG3  GLN  64           1HG      GLN  64   2.502   8.856   3.811
  510   HE21  GLN  64          1HE2      GLN  64   4.820   9.700   1.316
  511   HE22  GLN  64          2HE2      GLN  64   5.276  11.226   1.997
  512    H    GLY  65           HN       GLY  65   3.492   5.679   4.436
  513    HA2  GLY  65           2HA      GLY  65   2.890   7.148   6.789
  514    HA3  GLY  65           1HA      GLY  65   2.706   5.412   6.582
  515    H    GLN  66           HN       GLN  66   5.578   5.120   5.892
  516    HA   GLN  66           HA       GLN  66   6.589   4.854   8.565
  517    HB2  GLN  66           2HB      GLN  66   7.048   3.185   6.794
  518    HB3  GLN  66           1HB      GLN  66   7.972   4.390   5.911
  519    HG2  GLN  66           2HG      GLN  66   8.829   3.928   8.685
  520    HG3  GLN  66           1HG      GLN  66   9.042   2.568   7.585
  521   HE21  GLN  66          1HE2      GLN  66  11.277   2.730   7.706
  522   HE22  GLN  66          2HE2      GLN  66  12.151   3.992   6.904
  523    H    GLY  67           HN       GLY  67   7.155   6.976   5.816
  524    HA2  GLY  67           2HA      GLY  67   7.704   9.315   6.576
  525    HA3  GLY  67           1HA      GLY  67   8.992   8.560   7.503
  526    H    ASP  68           HN       ASP  68   8.774   6.810   4.742
  527    HA   ASP  68           HA       ASP  68  11.033   8.256   3.590
  528    HB2  ASP  68           2HB      ASP  68  11.237   5.804   4.079
  529    HB3  ASP  68           1HB      ASP  68  10.002   5.509   2.863
  530    H    ARG  69           HN       ARG  69   9.950   9.922   2.574
  531    HA   ARG  69           HA       ARG  69   7.795   9.593   0.782
  532    HB2  ARG  69           2HB      ARG  69   8.348  11.887   0.039
  533    HB3  ARG  69           1HB      ARG  69   8.263  11.744   1.787
  534    HG2  ARG  69           2HG      ARG  69  10.835  11.414   1.627
  535    HG3  ARG  69           1HG      ARG  69  10.649  12.159   0.039
  536    HD2  ARG  69           2HD      ARG  69  11.196  13.815   1.760
  537    HD3  ARG  69           1HD      ARG  69   9.599  14.109   1.065
  538    HE   ARG  69           HE       ARG  69   8.620  13.579   3.091
  539   HH11  ARG  69          1HH1      ARG  69  12.059  12.896   3.183
  540   HH12  ARG  69          2HH1      ARG  69  12.087  12.559   4.886
  541   HH21  ARG  69          1HH2      ARG  69   8.636  13.130   5.323
  542   HH22  ARG  69          2HH2      ARG  69  10.128  12.673   6.103
  543    H    ALA  70           HN       ALA  70  11.268   9.407   0.380
  544    HA   ALA  70           HA       ALA  70  11.301   9.517  -2.459
  545    HB1  ALA  70           1HB      ALA  70  13.325   8.307  -0.571
  546    HB2  ALA  70           2HB      ALA  70  13.296   9.982  -1.122
  547    HB3  ALA  70           3HB      ALA  70  13.591   8.681  -2.274
  548    H    GLY  71           HN       GLY  71  11.386   6.859  -0.117
  549    HA2  GLY  71           2HA      GLY  71  11.409   4.744  -1.970
  550    HA3  GLY  71           1HA      GLY  71  10.813   4.650  -0.319
  551    H    ALA  72           HN       ALA  72   8.747   6.574  -0.555
  552    HA   ALA  72           HA       ALA  72   6.644   4.991  -1.542
  553    HB1  ALA  72           1HB      ALA  72   6.346   6.682   0.212
  554    HB2  ALA  72           2HB      ALA  72   5.222   6.918  -1.127
  555    HB3  ALA  72           3HB      ALA  72   6.641   7.955  -0.976
  556    H    ARG  73           HN       ARG  73   8.233   7.875  -2.883
  557    HA   ARG  73           HA       ARG  73   6.671   8.131  -5.186
  558    HB2  ARG  73           2HB      ARG  73   8.268   9.857  -4.416
  559    HB3  ARG  73           1HB      ARG  73   9.607   8.806  -4.859
  560    HG2  ARG  73           2HG      ARG  73   7.971   9.013  -7.136
  561    HG3  ARG  73           1HG      ARG  73   8.139  10.643  -6.482
  562    HD2  ARG  73           2HD      ARG  73  10.469   8.797  -6.962
  563    HD3  ARG  73           1HD      ARG  73   9.882   9.946  -8.162
  564    HE   ARG  73           HE       ARG  73  10.308  11.473  -5.952
  565   HH11  ARG  73          1HH1      ARG  73  12.287   9.206  -7.744
  566   HH12  ARG  73          2HH1      ARG  73  13.757  10.088  -7.472
  567   HH21  ARG  73          1HH2      ARG  73  12.251  12.641  -5.575
  568   HH22  ARG  73          2HH2      ARG  73  13.737  12.028  -6.236
  569    H    GLN  74           HN       GLN  74   9.739   6.397  -4.701
  570    HA   GLN  74           HA       GLN  74   9.958   5.485  -7.366
  571    HB2  GLN  74           2HB      GLN  74  11.146   4.321  -4.843
  572    HB3  GLN  74           1HB      GLN  74  11.647   3.923  -6.480
  573    HG2  GLN  74           2HG      GLN  74  12.289   6.276  -6.826
  574    HG3  GLN  74           1HG      GLN  74  11.861   6.612  -5.150
  575   HE21  GLN  74          1HE2      GLN  74  14.124   5.075  -7.278
  576   HE22  GLN  74          2HE2      GLN  74  15.355   4.792  -6.098
  577    H    ALA  75           HN       ALA  75   8.459   4.101  -4.495
  578    HA   ALA  75           HA       ALA  75   7.924   1.554  -5.603
  579    HB1  ALA  75           1HB      ALA  75   6.481   3.008  -3.392
  580    HB2  ALA  75           2HB      ALA  75   7.880   1.949  -3.202
  581    HB3  ALA  75           3HB      ALA  75   6.342   1.289  -3.757
  582    H    TRP  76           HN       TRP  76   6.010   4.537  -5.416
  583    HA   TRP  76           HA       TRP  76   3.681   3.415  -6.564
  584    HB2  TRP  76           2HB      TRP  76   4.609   6.247  -6.175
  585    HB3  TRP  76           1HB      TRP  76   3.103   5.875  -7.006
  586    HD1  TRP  76           1HD      TRP  76   2.349   3.396  -4.994
  587    HE1  TRP  76           1HE      TRP  76   1.389   4.001  -2.686
  588    HE3  TRP  76           3HE      TRP  76   4.024   8.210  -4.662
  589    HZ2  TRP  76           2HZ      TRP  76   1.352   6.232  -0.946
  590    HZ3  TRP  76           3HZ      TRP  76   3.481   9.514  -2.647
  591    HH2  TRP  76           2HH      TRP  76   2.171   8.544  -0.829
  592    H    GLU  77           HN       GLU  77   6.461   5.108  -7.971
  593    HA   GLU  77           HA       GLU  77   5.472   5.249 -10.597
  594    HB2  GLU  77           2HB      GLU  77   8.303   4.983  -9.583
  595    HB3  GLU  77           1HB      GLU  77   7.901   5.252 -11.273
  596    HG2  GLU  77           2HG      GLU  77   6.675   7.335 -10.505
  597    HG3  GLU  77           1HG      GLU  77   7.454   7.088  -8.941
  598    H    SER  78           HN       SER  78   7.087   2.666  -8.842
  599    HA   SER  78           HA       SER  78   7.314   0.923 -11.091
  600    HB2  SER  78           2HB      SER  78   8.717   0.792  -9.000
  601    HB3  SER  78           1HB      SER  78   7.299   0.173  -8.156
  602    HG   SER  78           HG       SER  78   7.350  -1.652  -9.398
  603    H    GLY  79           HN       GLY  79   4.977   1.332  -8.471
  604    HA2  GLY  79           2HA      GLY  79   3.362  -0.903  -9.178
  605    HA3  GLY  79           1HA      GLY  79   2.889   0.430  -8.134
  606    H    LEU  80           HN       LEU  80   3.413   2.455 -10.174
  607    HA   LEU  80           HA       LEU  80   0.873   2.624 -11.340
  608    HB2  LEU  80           2HB      LEU  80   2.796   4.389 -10.956
  609    HB3  LEU  80           1HB      LEU  80   3.221   3.966 -12.597
  610    HG   LEU  80           HG       LEU  80   0.938   4.586 -13.333
  611   HD11  LEU  80          1HD1      LEU  80   0.632   5.592 -10.507
  612   HD12  LEU  80          2HD1      LEU  80  -0.211   4.210 -11.207
  613   HD13  LEU  80          3HD1      LEU  80  -0.511   5.833 -11.830
  614   HD21  LEU  80          3HD2      LEU  80   2.741   6.193 -13.531
  615   HD22  LEU  80          1HD2      LEU  80   2.475   6.731 -11.874
  616   HD23  LEU  80          2HD2      LEU  80   1.243   7.014 -13.101
  617    H    ALA  81           HN       ALA  81   4.001   1.853 -12.809
  618    HA   ALA  81           HA       ALA  81   3.053   1.205 -15.373
  619    HB1  ALA  81           1HB      ALA  81   5.414   1.610 -14.902
  620    HB2  ALA  81           2HB      ALA  81   5.183   0.049 -15.688
  621    HB3  ALA  81           3HB      ALA  81   5.487   0.124 -13.953
  622    H    ALA  82           HN       ALA  82   3.283  -0.725 -12.446
  623    HA   ALA  82           HA       ALA  82   2.674  -3.221 -13.624
  624    HB1  ALA  82           1HB      ALA  82   3.576  -3.000 -11.349
  625    HB2  ALA  82           2HB      ALA  82   2.088  -3.944 -11.370
  626    HB3  ALA  82           3HB      ALA  82   2.061  -2.268 -10.822
  627    H    ALA  83           HN       ALA  83   0.639  -0.732 -12.116
  628    HA   ALA  83           HA       ALA  83  -1.829  -2.031 -12.552
  629    HB1  ALA  83           1HB      ALA  83  -1.544  -0.210 -10.941
  630    HB2  ALA  83           2HB      ALA  83  -2.847   0.131 -12.080
  631    HB3  ALA  83           3HB      ALA  83  -1.282   0.921 -12.268
  632    H    GLN  84           HN       GLN  84  -0.023   0.346 -14.457
  633    HA   GLN  84           HA       GLN  84  -1.837   0.669 -16.559
  634    HB2  GLN  84           2HB      GLN  84   1.151   0.895 -16.334
  635    HB3  GLN  84           1HB      GLN  84   0.360   1.092 -17.889
  636    HG2  GLN  84           2HG      GLN  84  -0.433   2.673 -15.473
  637    HG3  GLN  84           1HG      GLN  84   0.842   3.193 -16.571
  638   HE21  GLN  84          1HE2      GLN  84   0.315   3.861 -18.644
  639   HE22  GLN  84          2HE2      GLN  84  -1.316   4.229 -19.103
  640    H    SER  85           HN       SER  85   0.823  -1.647 -16.177
  641    HA   SER  85           HA       SER  85   0.515  -2.936 -18.653
  642    HB2  SER  85           2HB      SER  85   2.520  -3.168 -17.224
  643    HB3  SER  85           1HB      SER  85   1.575  -4.102 -16.065
  644    HG   SER  85           HG       SER  85   1.985  -4.832 -18.786
  645    H    ARG  86           HN       ARG  86  -1.018  -3.569 -15.526
  646    HA   ARG  86           HA       ARG  86  -2.342  -5.914 -16.555
  647    HB2  ARG  86           2HB      ARG  86  -2.306  -4.565 -13.871
  648    HB3  ARG  86           1HB      ARG  86  -3.377  -5.916 -14.229
  649    HG2  ARG  86           2HG      ARG  86  -0.379  -5.975 -14.479
  650    HG3  ARG  86           1HG      ARG  86  -1.306  -6.633 -13.128
  651    HD2  ARG  86           2HD      ARG  86  -2.333  -8.248 -14.509
  652    HD3  ARG  86           1HD      ARG  86  -1.758  -7.476 -15.977
  653    HE   ARG  86           HE       ARG  86   0.549  -8.107 -14.990
  654   HH11  ARG  86          1HH1      ARG  86  -2.383  -9.984 -14.683
  655   HH12  ARG  86          2HH1      ARG  86  -1.574 -11.521 -14.737
  656   HH21  ARG  86          1HH2      ARG  86   1.634 -10.134 -15.070
  657   HH22  ARG  86          2HH2      ARG  86   0.708 -11.605 -14.983
  658    H    GLY  87           HN       GLY  87  -3.008  -2.602 -16.499
  659    HA2  GLY  87           2HA      GLY  87  -4.785  -1.607 -17.629
  660    HA3  GLY  87           1HA      GLY  87  -5.590  -3.164 -17.680
  661    H    ASP  88           HN       ASP  88  -4.425  -2.121 -14.632
  662    HA   ASP  88           HA       ASP  88  -7.146  -1.739 -13.701
  663    HB2  ASP  88           2HB      ASP  88  -4.499  -1.976 -12.304
  664    HB3  ASP  88           1HB      ASP  88  -5.912  -1.357 -11.453
  665    H    GLN  89           HN       GLN  89  -7.476   0.078 -14.997
  666    HA   GLN  89           HA       GLN  89  -5.955   2.407 -14.992
  667    HB2  GLN  89           2HB      GLN  89  -8.907   2.077 -15.523
  668    HB3  GLN  89           1HB      GLN  89  -7.908   3.419 -16.039
  669    HG2  GLN  89           2HG      GLN  89  -7.728   0.568 -16.950
  670    HG3  GLN  89           1HG      GLN  89  -8.243   1.960 -17.896
  671   HE21  GLN  89          1HE2      GLN  89  -6.151   3.688 -16.850
  672   HE22  GLN  89          2HE2      GLN  89  -4.678   3.174 -17.601
  673    H    GLN  90           HN       GLN  90  -8.710   1.445 -13.038
  674    HA   GLN  90           HA       GLN  90  -9.203   3.827 -11.694
  675    HB2  GLN  90           2HB      GLN  90 -10.694   1.975 -11.395
  676    HB3  GLN  90           1HB      GLN  90  -9.405   0.965 -10.758
  677    HG2  GLN  90           2HG      GLN  90  -9.253   2.416  -8.789
  678    HG3  GLN  90           1HG      GLN  90 -10.577   3.395  -9.419
  679   HE21  GLN  90          1HE2      GLN  90 -12.655   2.600  -9.363
  680   HE22  GLN  90          2HE2      GLN  90 -13.096   1.200  -8.435
  681    H    VAL  91           HN       VAL  91  -6.900   1.251 -10.907
  682    HA   VAL  91           HA       VAL  91  -6.043   2.369  -8.453
  683    HB   VAL  91           HB       VAL  91  -4.537   0.463 -10.259
  684   HG11  VAL  91          1HG1      VAL  91  -3.375  -0.217  -8.204
  685   HG12  VAL  91          2HG1      VAL  91  -4.226   1.046  -7.314
  686   HG13  VAL  91          3HG1      VAL  91  -3.088   1.479  -8.589
  687   HG21  VAL  91          3HG2      VAL  91  -6.723  -0.430  -9.702
  688   HG22  VAL  91          1HG2      VAL  91  -6.450  -0.091  -7.992
  689   HG23  VAL  91          2HG2      VAL  91  -5.472  -1.302  -8.815
  690    H    VAL  92           HN       VAL  92  -4.875   2.643 -11.765
  691    HA   VAL  92           HA       VAL  92  -2.510   4.058 -11.309
  692    HB   VAL  92           HB       VAL  92  -4.433   4.404 -13.622
  693   HG11  VAL  92          1HG1      VAL  92  -1.501   5.080 -13.410
  694   HG12  VAL  92          2HG1      VAL  92  -2.836   6.228 -13.516
  695   HG13  VAL  92          3HG1      VAL  92  -2.471   5.171 -14.879
  696   HG21  VAL  92          3HG2      VAL  92  -3.010   2.790 -14.797
  697   HG22  VAL  92          1HG2      VAL  92  -3.761   2.085 -13.367
  698   HG23  VAL  92          2HG2      VAL  92  -2.065   2.562 -13.325
  699    H    LYS  93           HN       LYS  93  -5.780   5.302 -11.968
  700    HA   LYS  93           HA       LYS  93  -5.069   8.015 -11.688
  701    HB2  LYS  93           2HB      LYS  93  -7.744   6.628 -11.539
  702    HB3  LYS  93           1HB      LYS  93  -7.544   8.377 -11.552
  703    HG2  LYS  93           2HG      LYS  93  -6.692   6.470 -13.723
  704    HG3  LYS  93           1HG      LYS  93  -8.069   7.575 -13.771
  705    HD2  LYS  93           2HD      LYS  93  -6.529   9.478 -13.547
  706    HD3  LYS  93           1HD      LYS  93  -5.164   8.360 -13.537
  707    HE2  LYS  93           2HE      LYS  93  -5.872   7.587 -15.800
  708    HE3  LYS  93           1HE      LYS  93  -7.095   8.858 -15.796
  709    HZ1  LYS  93           3HZ      LYS  93  -5.303   9.796 -16.912
  710    HZ2  LYS  93           1HZ      LYS  93  -4.154   9.137 -15.852
  711    HZ3  LYS  93           2HZ      LYS  93  -5.139  10.413 -15.342
  712    H    GLU  94           HN       GLU  94  -6.137   5.613  -9.342
  713    HA   GLU  94           HA       GLU  94  -6.662   7.439  -7.248
  714    HB2  GLU  94           2HB      GLU  94  -5.838   4.533  -7.137
  715    HB3  GLU  94           1HB      GLU  94  -6.416   5.466  -5.771
  716    HG2  GLU  94           2HG      GLU  94  -8.539   5.845  -7.028
  717    HG3  GLU  94           1HG      GLU  94  -7.949   4.708  -8.234
  718    H    LEU  95           HN       LEU  95  -3.785   5.559  -8.139
  719    HA   LEU  95           HA       LEU  95  -2.195   6.474  -5.984
  720    HB2  LEU  95           2HB      LEU  95  -1.553   5.186  -8.615
  721    HB3  LEU  95           1HB      LEU  95  -0.281   5.722  -7.533
  722    HG   LEU  95           HG       LEU  95  -2.418   3.695  -6.831
  723   HD11  LEU  95          1HD1      LEU  95   0.514   3.340  -7.450
  724   HD12  LEU  95          2HD1      LEU  95  -0.832   2.826  -8.469
  725   HD13  LEU  95          3HD1      LEU  95  -0.584   2.078  -6.890
  726   HD21  LEU  95          3HD2      LEU  95  -1.685   4.974  -4.904
  727   HD22  LEU  95          1HD2      LEU  95   0.002   4.662  -5.313
  728   HD23  LEU  95          2HD2      LEU  95  -1.049   3.332  -4.830
  729    H    GLN  96           HN       GLN  96  -2.692   7.685  -9.263
  730    HA   GLN  96           HA       GLN  96  -0.628   9.557  -9.340
  731    HB2  GLN  96           2HB      GLN  96  -3.342   9.532 -10.635
  732    HB3  GLN  96           1HB      GLN  96  -2.195  10.840 -10.906
  733    HG2  GLN  96           2HG      GLN  96  -0.553   9.158 -11.700
  734    HG3  GLN  96           1HG      GLN  96  -1.805   7.925 -11.552
  735   HE21  GLN  96          1HE2      GLN  96  -0.748  10.749 -13.292
  736   HE22  GLN  96          2HE2      GLN  96  -1.783  10.530 -14.665
  737    H    VAL  97           HN       VAL  97  -3.750   9.727  -7.748
  738    HA   VAL  97           HA       VAL  97  -3.787  12.480  -7.176
  739    HB   VAL  97           HB       VAL  97  -4.905  10.185  -5.549
  740   HG11  VAL  97          1HG1      VAL  97  -5.571  13.125  -5.410
  741   HG12  VAL  97          2HG1      VAL  97  -4.680  12.207  -4.194
  742   HG13  VAL  97          3HG1      VAL  97  -6.373  11.834  -4.515
  743   HG21  VAL  97          3HG2      VAL  97  -7.037  10.803  -6.623
  744   HG22  VAL  97          1HG2      VAL  97  -5.827  10.240  -7.776
  745   HG23  VAL  97          2HG2      VAL  97  -6.168  11.964  -7.626
  746    H    PHE  98           HN       PHE  98  -2.386   9.743  -5.444
  747    HA   PHE  98           HA       PHE  98  -1.489  11.226  -3.205
  748    HB2  PHE  98           2HB      PHE  98  -0.574   8.569  -4.316
  749    HB3  PHE  98           1HB      PHE  98  -0.038   9.232  -2.776
  750    HD1  PHE  98           1HD      PHE  98  -1.781   9.668  -0.993
  751    HD2  PHE  98           2HD      PHE  98  -2.561   7.362  -4.482
  752    HE1  PHE  98           1HE      PHE  98  -3.723   8.653   0.120
  753    HE2  PHE  98           2HE      PHE  98  -4.511   6.345  -3.378
  754    HZ   PHE  98           HZ       PHE  98  -5.095   6.993  -1.074
  755    H    LEU  99           HN       LEU  99  -0.004  10.357  -6.283
  756    HA   LEU  99           HA       LEU  99   2.635  11.060  -5.736
  757    HB2  LEU  99           2HB      LEU  99   1.004  10.802  -8.192
  758    HB3  LEU  99           1HB      LEU  99   2.489  11.719  -8.336
  759    HG   LEU  99           HG       LEU  99   2.873   9.425  -8.993
  760   HD11  LEU  99          1HD1      LEU  99   4.117  10.023  -6.316
  761   HD12  LEU  99          2HD1      LEU  99   4.697  10.583  -7.886
  762   HD13  LEU  99          3HD1      LEU  99   4.720   8.862  -7.499
  763   HD21  LEU  99          3HD2      LEU  99   1.088   8.345  -7.746
  764   HD22  LEU  99          1HD2      LEU  99   1.928   8.678  -6.230
  765   HD23  LEU  99          2HD2      LEU  99   2.641   7.577  -7.410
  766    H    ARG 100           HN       ARG 100  -0.095  13.103  -6.589
  767    HA   ARG 100           HA       ARG 100   1.397  15.426  -7.201
  768    HB2  ARG 100           2HB      ARG 100  -1.393  15.372  -6.060
  769    HB3  ARG 100           1HB      ARG 100  -0.672  16.598  -7.088
  770    HG2  ARG 100           2HG      ARG 100  -0.433  14.432  -8.660
  771    HG3  ARG 100           1HG      ARG 100  -1.914  14.046  -7.787
  772    HD2  ARG 100           2HD      ARG 100  -1.378  16.587  -9.321
  773    HD3  ARG 100           1HD      ARG 100  -2.400  15.252  -9.853
  774    HE   ARG 100           HE       ARG 100  -3.819  15.781  -7.861
  775   HH11  ARG 100          1HH1      ARG 100  -1.669  18.223  -9.144
  776   HH12  ARG 100          2HH1      ARG 100  -2.707  19.555  -8.715
  777   HH21  ARG 100          1HH2      ARG 100  -5.199  17.541  -7.302
  778   HH22  ARG 100          2HH2      ARG 100  -4.705  19.163  -7.668
  779    H    ARG 101           HN       ARG 101  -0.202  14.294  -4.277
  780    HA   ARG 101           HA       ARG 101   0.515  16.581  -2.727
  781    HB2  ARG 101           2HB      ARG 101  -1.448  15.057  -2.292
  782    HB3  ARG 101           1HB      ARG 101  -0.303  13.863  -1.697
  783    HG2  ARG 101           2HG      ARG 101   0.303  15.207   0.141
  784    HG3  ARG 101           1HG      ARG 101  -0.488  16.630  -0.540
  785    HD2  ARG 101           2HD      ARG 101  -1.877  15.772   1.208
  786    HD3  ARG 101           1HD      ARG 101  -2.665  15.431  -0.330
  787    HE   ARG 101           HE       ARG 101  -1.112  13.397   1.146
  788   HH11  ARG 101          1HH1      ARG 101  -3.957  14.364  -0.684
  789   HH12  ARG 101          2HH1      ARG 101  -4.731  12.809  -0.514
  790   HH21  ARG 101          1HH2      ARG 101  -2.133  11.382   1.356
  791   HH22  ARG 101          2HH2      ARG 101  -3.692  11.123   0.631
  792    H    LEU 102           HN       LEU 102   1.906  13.397  -3.234
  793    HA   LEU 102           HA       LEU 102   3.895  13.491  -1.237
  794    HB2  LEU 102           2HB      LEU 102   3.119  11.465  -2.461
  795    HB3  LEU 102           1HB      LEU 102   3.900  12.066  -3.905
  796    HG   LEU 102           HG       LEU 102   5.071  10.231  -2.567
  797   HD11  LEU 102          1HD1      LEU 102   6.182  11.428  -4.358
  798   HD12  LEU 102          2HD1      LEU 102   7.296  11.138  -3.024
  799   HD13  LEU 102          3HD1      LEU 102   6.593  12.740  -3.253
  800   HD21  LEU 102          3HD2      LEU 102   6.504  11.017  -0.733
  801   HD22  LEU 102          1HD2      LEU 102   4.787  11.153  -0.356
  802   HD23  LEU 102          2HD2      LEU 102   5.707  12.588  -0.806
  803    H    ALA 103           HN       ALA 103   3.730  14.645  -4.541
  804    HA   ALA 103           HA       ALA 103   6.396  15.162  -5.061
  805    HB1  ALA 103           1HB      ALA 103   5.625  16.741  -6.741
  806    HB2  ALA 103           2HB      ALA 103   4.021  16.755  -6.006
  807    HB3  ALA 103           3HB      ALA 103   4.638  15.280  -6.749
  808    H    ARG 104           HN       ARG 104   4.167  16.997  -3.082
  809    HA   ARG 104           HA       ARG 104   5.434  19.481  -3.086
  810    HB2  ARG 104           2HB      ARG 104   4.030  18.164  -0.755
  811    HB3  ARG 104           1HB      ARG 104   4.372  19.881  -0.915
  812    HG2  ARG 104           2HG      ARG 104   2.938  19.887  -2.962
  813    HG3  ARG 104           1HG      ARG 104   2.489  18.225  -2.575
  814    HD2  ARG 104           2HD      ARG 104   2.003  20.683  -0.895
  815    HD3  ARG 104           1HD      ARG 104   0.795  19.715  -1.735
  816    HE   ARG 104           HE       ARG 104   2.122  18.008   0.003
  817   HH11  ARG 104          1HH1      ARG 104   0.083  20.848   0.203
  818   HH12  ARG 104          2HH1      ARG 104  -0.515  20.470   1.788
  819   HH21  ARG 104          1HH2      ARG 104   1.347  17.502   2.087
  820   HH22  ARG 104          2HH2      ARG 104   0.196  18.560   2.862
  821    H    GLU 105           HN       GLU 105   6.025  16.642  -1.043
  822    HA   GLU 105           HA       GLU 105   7.952  17.793   0.635
  823    HB2  GLU 105           2HB      GLU 105   7.563  14.920  -0.205
  824    HB3  GLU 105           1HB      GLU 105   8.560  15.453   1.131
  825    HG2  GLU 105           2HG      GLU 105   6.515  16.435   2.167
  826    HG3  GLU 105           1HG      GLU 105   5.578  15.662   0.888
  827    H    ASP 106           HN       ASP 106   8.181  16.030  -2.395
  828    HA   ASP 106           HA       ASP 106  11.037  15.874  -2.449
  829    HB2  ASP 106           2HB      ASP 106   9.523  14.305  -3.627
  830    HB3  ASP 106           1HB      ASP 106   8.990  15.605  -4.669
  831    H    ALA 107           HN       ALA 107   8.658  17.921  -4.038
  832    HA   ALA 107           HA       ALA 107  10.447  19.350  -5.670
  833    HB1  ALA 107           1HB      ALA 107   8.023  19.316  -6.035
  834    HB2  ALA 107           2HB      ALA 107   8.652  20.962  -5.962
  835    HB3  ALA 107           3HB      ALA 107   7.794  20.283  -4.579
  836    H    LEU 108           HN       LEU 108   9.115  20.173  -2.463
  837    HA   LEU 108           HA       LEU 108  10.668  22.591  -2.330
  838    HB2  LEU 108           2HB      LEU 108   9.057  21.183  -0.202
  839    HB3  LEU 108           1HB      LEU 108   9.707  22.799  -0.092
  840    HG   LEU 108           HG       LEU 108   7.543  21.873  -1.951
  841   HD11  LEU 108          1HD1      LEU 108   6.823  22.175   0.357
  842   HD12  LEU 108          2HD1      LEU 108   6.138  23.419  -0.689
  843   HD13  LEU 108          3HD1      LEU 108   7.502  23.803   0.360
  844   HD21  LEU 108          3HD2      LEU 108   8.794  24.601  -1.693
  845   HD22  LEU 108          1HD2      LEU 108   7.398  24.195  -2.694
  846   HD23  LEU 108          2HD2      LEU 108   8.980  23.504  -3.060
  847    H    GLU 109           HN       GLU 109  11.031  19.300  -1.359
  848    HA   GLU 109           HA       GLU 109  12.535  18.142  -0.112
  849    HB2  GLU 109           2HB      GLU 109  14.349  20.440  -0.850
  850    HB3  GLU 109           1HB      GLU 109  14.872  18.925  -0.143
  851    HG2  GLU 109           2HG      GLU 109  14.078  17.748  -2.141
  852    HG3  GLU 109           1HG      GLU 109  13.648  19.306  -2.854
  853    H    HIS 110           HN       HIS 110  10.865  19.357   1.540
  854    HA   HIS 110           HA       HIS 110  10.559  20.106   3.668
  855    HB2  HIS 110           2HB      HIS 110  12.206  18.385   4.213
  856    HB3  HIS 110           1HB      HIS 110  13.516  19.490   3.843
  857    HD1  HIS 110           1HD      HIS 110  10.690  19.124   6.361
  858    HD2  HIS 110           2HD      HIS 110  14.459  20.852   6.000
  859    HE1  HIS 110           1HE      HIS 110  11.239  20.052   8.638
  860    HE2  HIS 110           2HE      HIS 110  13.556  21.028   8.417
  861    H    HIS 111           HN       HIS 111  11.489  21.875   1.412
  862    HA   HIS 111           HA       HIS 111  11.797  24.082   1.022
  863    HB2  HIS 111           2HB      HIS 111  10.224  24.406   2.901
  864    HB3  HIS 111           1HB      HIS 111  11.571  24.360   4.027
  865    HD1  HIS 111           1HD      HIS 111  12.234  26.626   4.780
  866    HD2  HIS 111           2HD      HIS 111  10.746  26.650   0.892
  867    HE1  HIS 111           1HE      HIS 111  12.264  29.031   4.051
  868    HE2  HIS 111           2HE      HIS 111  11.461  29.015   1.662
  869    H    HIS 112           HN       HIS 112  14.003  22.179   1.614
  870    HA   HIS 112           HA       HIS 112  16.067  24.180   2.182
  871    HB2  HIS 112           2HB      HIS 112  15.736  22.709   4.178
  872    HB3  HIS 112           1HB      HIS 112  16.173  21.324   3.181
  873    HD1  HIS 112           1HD      HIS 112  18.594  20.763   3.086
  874    HD2  HIS 112           2HD      HIS 112  17.934  24.664   4.375
  875    HE1  HIS 112           1HE      HIS 112  20.861  21.665   3.720
  876    HE2  HIS 112           2HE      HIS 112  20.456  24.093   4.277
  877    H    HIS 113           HN       HIS 113  15.922  24.206  -0.167
  878    HA   HIS 113           HA       HIS 113  17.022  22.072  -1.700
  879    HB2  HIS 113           2HB      HIS 113  16.623  25.013  -2.237
  880    HB3  HIS 113           1HB      HIS 113  17.423  23.962  -3.398
  881    HD1  HIS 113           1HD      HIS 113  14.094  24.971  -2.171
  882    HD2  HIS 113           2HD      HIS 113  15.727  21.971  -4.537
  883    HE1  HIS 113           1HE      HIS 113  12.159  23.961  -3.411
  884    HE2  HIS 113           2HE      HIS 113  13.174  22.178  -4.876
  885    H    HIS 114           HN       HIS 114  19.117  22.228  -2.865
  886    HA   HIS 114           HA       HIS 114  21.150  23.535  -1.178
  887    HB2  HIS 114           2HB      HIS 114  21.194  21.107  -0.852
  888    HB3  HIS 114           1HB      HIS 114  21.369  20.866  -2.587
  889    HD1  HIS 114           1HD      HIS 114  23.698  20.606  -3.391
  890    HD2  HIS 114           2HD      HIS 114  23.518  22.609   0.254
  891    HE1  HIS 114           1HE      HIS 114  26.088  20.995  -2.708
  892    HE2  HIS 114           2HE      HIS 114  25.950  22.386  -0.612
  893    H    HIS 115           HN       HIS 115  21.364  25.342  -2.464
  894    HA   HIS 115           HA       HIS 115  22.880  24.872  -4.918
  895    HB2  HIS 115           2HB      HIS 115  20.497  26.726  -4.702
  896    HB3  HIS 115           1HB      HIS 115  21.677  26.811  -6.004
  897    HD1  HIS 115           1HD      HIS 115  18.460  25.511  -5.380
  898    HD2  HIS 115           2HD      HIS 115  21.854  24.023  -7.274
  899    HE1  HIS 115           1HE      HIS 115  17.653  23.640  -6.857
  900    HE2  HIS 115           2HE      HIS 115  19.698  22.869  -8.115
  Start of MODEL   13
    1    H1   MET   1           H1       MET   1 -11.094  -8.555  23.247
    2    H2   MET   1           H2       MET   1  -9.578  -8.186  23.907
    3    H3   MET   1           H3       MET   1 -10.018  -9.802  23.645
    4    HA   MET   1           HA       MET   1  -8.465  -9.007  21.964
    5    HB2  MET   1           2HB      MET   1 -11.262  -9.484  20.911
    6    HB3  MET   1           1HB      MET   1  -9.776  -9.668  19.988
    7    HG2  MET   1           2HG      MET   1  -9.078 -11.485  21.435
    8    HG3  MET   1           1HG      MET   1 -10.523 -11.274  22.421
    9    HE1  MET   1           2HE      MET   1 -10.562 -12.722  18.038
   10    HE2  MET   1           3HE      MET   1  -9.091 -12.389  18.954
   11    HE3  MET   1           1HE      MET   1 -10.170 -11.067  18.510
   12    H    GLN   2           HN       GLN   2  -7.996  -7.531  20.268
   13    HA   GLN   2           HA       GLN   2  -9.820  -5.242  20.028
   14    HB2  GLN   2           2HB      GLN   2  -8.135  -4.608  21.683
   15    HB3  GLN   2           1HB      GLN   2  -6.854  -5.013  20.556
   16    HG2  GLN   2           2HG      GLN   2  -7.195  -2.612  20.680
   17    HG3  GLN   2           1HG      GLN   2  -7.582  -3.228  19.073
   18   HE21  GLN   2          1HE2      GLN   2  -8.865  -1.913  22.024
   19   HE22  GLN   2          2HE2      GLN   2 -10.432  -1.514  21.401
   20    H    ALA   3           HN       ALA   3  -9.743  -4.184  18.114
   21    HA   ALA   3           HA       ALA   3  -9.592  -3.949  15.864
   22    HB1  ALA   3           1HB      ALA   3  -7.224  -3.528  16.337
   23    HB2  ALA   3           2HB      ALA   3  -7.458  -4.320  14.779
   24    HB3  ALA   3           3HB      ALA   3  -6.890  -5.251  16.165
   25    H    ILE   4           HN       ILE   4  -9.790  -5.009  13.888
   26    HA   ILE   4           HA       ILE   4 -10.888  -7.635  14.026
   27    HB   ILE   4           HB       ILE   4 -10.120  -5.922  11.659
   28   HG12  ILE   4          2HG1      ILE   4 -11.800  -4.845  13.003
   29   HG13  ILE   4          1HG1      ILE   4 -12.571  -5.480  11.552
   30   HG21  ILE   4          1HG2      ILE   4 -11.604  -7.338  10.326
   31   HG22  ILE   4          2HG2      ILE   4 -11.872  -8.379  11.723
   32   HG23  ILE   4          3HG2      ILE   4 -10.268  -8.271  10.997
   33   HD11  ILE   4          3HD1      ILE   4 -13.403  -7.380  12.831
   34   HD12  ILE   4          1HD1      ILE   4 -13.941  -5.847  13.515
   35   HD13  ILE   4          2HD1      ILE   4 -12.632  -6.743  14.281
   36    H    THR   5           HN       THR   5  -7.757  -6.387  13.674
   37    HA   THR   5           HA       THR   5  -6.431  -8.156  12.015
   38    HB   THR   5           HB       THR   5  -5.201  -7.063  14.535
   39    HG1  THR   5           1HG      THR   5  -5.162  -5.058  13.652
   40   HG21  THR   5          3HG2      THR   5  -3.783  -8.454  13.112
   41   HG22  THR   5          1HG2      THR   5  -3.241  -6.775  13.077
   42   HG23  THR   5          2HG2      THR   5  -4.159  -7.436  11.722
   43    H    GLU   6           HN       GLU   6  -7.032  -8.419  15.525
   44    HA   GLU   6           HA       GLU   6  -5.431 -10.733  15.863
   45    HB2  GLU   6           2HB      GLU   6  -7.648  -9.647  17.609
   46    HB3  GLU   6           1HB      GLU   6  -6.490 -10.882  18.083
   47    HG2  GLU   6           2HG      GLU   6  -4.665  -9.252  17.741
   48    HG3  GLU   6           1HG      GLU   6  -5.874  -8.021  17.384
   49    H    ARG   7           HN       ARG   7  -8.905 -10.274  15.336
   50    HA   ARG   7           HA       ARG   7  -9.483 -13.019  15.838
   51    HB2  ARG   7           2HB      ARG   7 -11.750 -12.555  15.207
   52    HB3  ARG   7           1HB      ARG   7 -11.157 -11.257  16.221
   53    HG2  ARG   7           2HG      ARG   7 -12.184  -9.987  14.680
   54    HG3  ARG   7           1HG      ARG   7 -10.667 -10.196  13.804
   55    HD2  ARG   7           2HD      ARG   7 -11.575 -11.707  12.325
   56    HD3  ARG   7           1HD      ARG   7 -12.830 -12.219  13.453
   57    HE   ARG   7           HE       ARG   7 -13.481  -9.638  12.923
   58   HH11  ARG   7          1HH1      ARG   7 -12.852 -12.425  10.884
   59   HH12  ARG   7          2HH1      ARG   7 -13.930 -11.898   9.625
   60   HH21  ARG   7          1HH2      ARG   7 -14.920  -8.974  11.282
   61   HH22  ARG   7          2HH2      ARG   7 -15.128  -9.966   9.871
   62    H    LEU   8           HN       LEU   8  -8.694 -11.184  12.964
   63    HA   LEU   8           HA       LEU   8  -9.498 -13.108  11.067
   64    HB2  LEU   8           2HB      LEU   8  -7.384 -10.971  10.986
   65    HB3  LEU   8           1HB      LEU   8  -7.723 -12.010   9.615
   66    HG   LEU   8           HG       LEU   8  -9.696 -10.129  10.914
   67   HD11  LEU   8          1HD1      LEU   8  -8.224  -9.954   8.288
   68   HD12  LEU   8          2HD1      LEU   8  -7.967  -8.932   9.701
   69   HD13  LEU   8          3HD1      LEU   8  -9.497  -8.859   8.827
   70   HD21  LEU   8          3HD2      LEU   8 -10.765 -12.119   9.978
   71   HD22  LEU   8          1HD2      LEU   8  -9.947 -11.836   8.440
   72   HD23  LEU   8          2HD2      LEU   8 -11.140 -10.678   9.031
   73    H    GLU   9           HN       GLU   9  -6.308 -12.544  12.563
   74    HA   GLU   9           HA       GLU   9  -4.976 -14.691  11.360
   75    HB2  GLU   9           2HB      GLU   9  -4.543 -13.108  13.856
   76    HB3  GLU   9           1HB      GLU   9  -3.575 -14.550  13.580
   77    HG2  GLU   9           2HG      GLU   9  -3.793 -12.311  11.586
   78    HG3  GLU   9           1HG      GLU   9  -2.557 -12.372  12.843
   79    H    ALA  10           HN       ALA  10  -7.067 -14.576  14.166
   80    HA   ALA  10           HA       ALA  10  -6.454 -17.156  15.173
   81    HB1  ALA  10           1HB      ALA  10  -7.529 -15.428  16.533
   82    HB2  ALA  10           2HB      ALA  10  -8.478 -16.915  16.503
   83    HB3  ALA  10           3HB      ALA  10  -8.971 -15.533  15.523
   84    H    MET  11           HN       MET  11  -8.562 -15.997  12.656
   85    HA   MET  11           HA       MET  11 -10.370 -18.145  12.557
   86    HB2  MET  11           2HB      MET  11  -9.522 -16.154  10.459
   87    HB3  MET  11           1HB      MET  11 -10.800 -17.331  10.213
   88    HG2  MET  11           2HG      MET  11 -12.076 -16.381  12.030
   89    HG3  MET  11           1HG      MET  11 -10.774 -15.250  12.378
   90    HE1  MET  11           3HE      MET  11 -13.344 -15.143   8.546
   91    HE2  MET  11           1HE      MET  11 -13.535 -16.332   9.833
   92    HE3  MET  11           2HE      MET  11 -12.096 -16.359   8.814
   93    H    LEU  12           HN       LEU  12  -7.150 -17.772  11.289
   94    HA   LEU  12           HA       LEU  12  -7.226 -19.807   9.342
   95    HB2  LEU  12           2HB      LEU  12  -4.978 -18.621  10.950
   96    HB3  LEU  12           1HB      LEU  12  -4.700 -19.936   9.830
   97    HG   LEU  12           HG       LEU  12  -5.666 -18.468   8.018
   98   HD11  LEU  12          1HD1      LEU  12  -6.870 -16.880   9.390
   99   HD12  LEU  12          2HD1      LEU  12  -5.648 -16.050   8.426
  100   HD13  LEU  12          3HD1      LEU  12  -5.362 -16.353  10.139
  101   HD21  LEU  12          3HD2      LEU  12  -3.175 -17.538   9.430
  102   HD22  LEU  12          1HD2      LEU  12  -3.605 -17.175   7.757
  103   HD23  LEU  12          2HD2      LEU  12  -3.283 -18.840   8.245
  104    H    ALA  13           HN       ALA  13  -6.915 -19.885  12.800
  105    HA   ALA  13           HA       ALA  13  -5.779 -22.479  13.029
  106    HB1  ALA  13           1HB      ALA  13  -6.343 -22.318  15.383
  107    HB2  ALA  13           2HB      ALA  13  -7.383 -20.931  15.056
  108    HB3  ALA  13           3HB      ALA  13  -5.640 -20.804  14.813
  109    H    GLN  14           HN       GLN  14  -8.951 -21.392  12.315
  110    HA   GLN  14           HA       GLN  14 -10.309 -23.724  13.274
  111    HB2  GLN  14           2HB      GLN  14 -11.092 -21.404  11.537
  112    HB3  GLN  14           1HB      GLN  14 -12.155 -22.791  11.709
  113    HG2  GLN  14           2HG      GLN  14 -12.874 -21.149  13.236
  114    HG3  GLN  14           1HG      GLN  14 -12.111 -22.424  14.175
  115   HE21  GLN  14          1HE2      GLN  14 -10.183 -21.983  15.257
  116   HE22  GLN  14          2HE2      GLN  14  -9.588 -20.366  15.452
  117    H    GLY  15           HN       GLY  15  -8.122 -23.426  10.880
  118    HA2  GLY  15           2HA      GLY  15  -7.505 -25.422   9.718
  119    HA3  GLY  15           1HA      GLY  15  -9.202 -25.852   9.620
  120    H    THR  16           HN       THR  16  -7.943 -22.661   8.826
  121    HA   THR  16           HA       THR  16  -7.872 -23.267   6.001
  122    HB   THR  16           HB       THR  16  -9.880 -21.229   6.989
  123    HG1  THR  16           1HG      THR  16 -10.083 -23.907   6.617
  124   HG21  THR  16          3HG2      THR  16  -9.276 -22.242   4.205
  125   HG22  THR  16          1HG2      THR  16  -8.875 -20.640   4.831
  126   HG23  THR  16          2HG2      THR  16 -10.561 -21.114   4.633
  127    H    ASP  17           HN       ASP  17  -5.760 -22.548   5.975
  128    HA   ASP  17           HA       ASP  17  -5.287 -19.758   6.668
  129    HB2  ASP  17           2HB      ASP  17  -2.918 -20.236   6.167
  130    HB3  ASP  17           1HB      ASP  17  -3.563 -21.332   7.374
  131    H    ASN  18           HN       ASN  18  -6.266 -18.540   5.194
  132    HA   ASN  18           HA       ASN  18  -5.779 -19.133   2.356
  133    HB2  ASN  18           2HB      ASN  18  -8.142 -19.105   3.162
  134    HB3  ASN  18           1HB      ASN  18  -7.967 -17.403   3.520
  135   HD21  ASN  18          1HD2      ASN  18  -9.725 -18.936   1.687
  136   HD22  ASN  18          2HD2      ASN  18  -9.494 -18.218   0.130
  137    H    MET  19           HN       MET  19  -5.305 -17.440   0.980
  138    HA   MET  19           HA       MET  19  -3.419 -15.648   2.254
  139    HB2  MET  19           2HB      MET  19  -2.278 -15.624   0.303
  140    HB3  MET  19           1HB      MET  19  -3.249 -17.040  -0.055
  141    HG2  MET  19           2HG      MET  19  -3.975 -14.248  -0.900
  142    HG3  MET  19           1HG      MET  19  -3.068 -15.382  -1.898
  143    HE1  MET  19           3HE      MET  19  -5.730 -13.907  -2.823
  144    HE2  MET  19           1HE      MET  19  -6.587 -15.221  -3.629
  145    HE3  MET  19           2HE      MET  19  -4.847 -15.034  -3.846
  146    H    LEU  20           HN       LEU  20  -6.484 -15.470   0.603
  147    HA   LEU  20           HA       LEU  20  -6.539 -12.671   0.182
  148    HB2  LEU  20           2HB      LEU  20  -8.054 -14.256  -0.944
  149    HB3  LEU  20           1HB      LEU  20  -8.834 -14.595   0.587
  150    HG   LEU  20           HG       LEU  20  -9.568 -12.219   0.696
  151   HD11  LEU  20          1HD1      LEU  20  -9.411 -10.828  -1.284
  152   HD12  LEU  20          2HD1      LEU  20  -8.510 -12.091  -2.124
  153   HD13  LEU  20          3HD1      LEU  20  -7.799 -11.281  -0.726
  154   HD21  LEU  20          3HD2      LEU  20 -11.059 -13.951  -0.145
  155   HD22  LEU  20          1HD2      LEU  20 -10.396 -13.750  -1.768
  156   HD23  LEU  20          2HD2      LEU  20 -11.304 -12.437  -1.017
  157    H    LEU  21           HN       LEU  21  -7.333 -14.725   2.889
  158    HA   LEU  21           HA       LEU  21  -8.645 -12.808   4.489
  159    HB2  LEU  21           2HB      LEU  21  -8.542 -15.341   4.801
  160    HB3  LEU  21           1HB      LEU  21  -6.955 -15.096   5.496
  161    HG   LEU  21           HG       LEU  21  -9.398 -13.750   6.638
  162   HD11  LEU  21          1HD1      LEU  21  -9.798 -16.170   6.589
  163   HD12  LEU  21          2HD1      LEU  21  -9.556 -15.583   8.235
  164   HD13  LEU  21          3HD1      LEU  21  -8.256 -16.437   7.403
  165   HD21  LEU  21          3HD2      LEU  21  -6.699 -14.472   7.780
  166   HD22  LEU  21          1HD2      LEU  21  -8.022 -13.726   8.678
  167   HD23  LEU  21          2HD2      LEU  21  -7.254 -12.853   7.351
  168    H    ARG  22           HN       ARG  22  -5.248 -13.807   4.235
  169    HA   ARG  22           HA       ARG  22  -4.399 -11.889   6.177
  170    HB2  ARG  22           2HB      ARG  22  -2.951 -13.783   4.361
  171    HB3  ARG  22           1HB      ARG  22  -2.068 -12.537   5.239
  172    HG2  ARG  22           2HG      ARG  22  -3.148 -13.413   7.341
  173    HG3  ARG  22           1HG      ARG  22  -3.726 -14.772   6.379
  174    HD2  ARG  22           2HD      ARG  22  -1.593 -15.615   6.064
  175    HD3  ARG  22           1HD      ARG  22  -0.819 -14.063   6.385
  176    HE   ARG  22           HE       ARG  22  -1.982 -14.646   8.760
  177   HH11  ARG  22          1HH1      ARG  22   0.109 -16.535   6.649
  178   HH12  ARG  22          2HH1      ARG  22   0.845 -17.402   7.963
  179   HH21  ARG  22          1HH2      ARG  22  -0.991 -15.749  10.457
  180   HH22  ARG  22          2HH2      ARG  22   0.236 -16.937  10.125
  181    H    PHE  23           HN       PHE  23  -4.976 -11.766   2.771
  182    HA   PHE  23           HA       PHE  23  -3.524  -9.402   2.221
  183    HB2  PHE  23           2HB      PHE  23  -5.836 -10.800   0.987
  184    HB3  PHE  23           1HB      PHE  23  -5.681  -9.084   0.630
  185    HD1  PHE  23           2HD      PHE  23  -3.404  -8.282  -0.240
  186    HD2  PHE  23           1HD      PHE  23  -4.629 -12.356  -0.246
  187    HE1  PHE  23           2HE      PHE  23  -1.737  -8.777  -1.983
  188    HE2  PHE  23           1HE      PHE  23  -2.969 -12.858  -1.988
  189    HZ   PHE  23           HZ       PHE  23  -1.519 -11.068  -2.859
  190    H    THR  24           HN       THR  24  -6.762  -9.991   3.519
  191    HA   THR  24           HA       THR  24  -7.558  -7.309   3.800
  192    HB   THR  24           HB       THR  24  -8.336  -9.624   5.587
  193    HG1  THR  24           1HG      THR  24  -8.675  -9.464   3.007
  194   HG21  THR  24          3HG2      THR  24  -9.028  -7.456   6.455
  195   HG22  THR  24          1HG2      THR  24 -10.430  -8.355   5.869
  196   HG23  THR  24          2HG2      THR  24  -9.750  -7.046   4.899
  197    H    LEU  25           HN       LEU  25  -5.750  -9.494   5.898
  198    HA   LEU  25           HA       LEU  25  -5.501  -7.858   8.145
  199    HB2  LEU  25           2HB      LEU  25  -3.803 -10.045   7.001
  200    HB3  LEU  25           1HB      LEU  25  -3.280  -9.163   8.424
  201    HG   LEU  25           HG       LEU  25  -5.943 -10.565   8.267
  202   HD11  LEU  25          1HD1      LEU  25  -3.327 -11.578   9.370
  203   HD12  LEU  25          2HD1      LEU  25  -4.176 -12.208   7.958
  204   HD13  LEU  25          3HD1      LEU  25  -4.898 -12.360   9.562
  205   HD21  LEU  25          3HD2      LEU  25  -4.277  -9.561  10.573
  206   HD22  LEU  25          1HD2      LEU  25  -5.824 -10.399  10.703
  207   HD23  LEU  25          2HD2      LEU  25  -5.746  -8.807   9.949
  208    H    GLY  26           HN       GLY  26  -3.405  -8.089   5.272
  209    HA2  GLY  26           2HA      GLY  26  -1.427  -6.286   6.113
  210    HA3  GLY  26           1HA      GLY  26  -1.833  -6.636   4.438
  211    H    LYS  27           HN       LYS  27  -4.420  -5.751   4.334
  212    HA   LYS  27           HA       LYS  27  -4.167  -2.976   3.986
  213    HB2  LYS  27           2HB      LYS  27  -5.743  -4.365   2.733
  214    HB3  LYS  27           1HB      LYS  27  -6.632  -4.720   4.202
  215    HG2  LYS  27           2HG      LYS  27  -6.350  -1.870   3.455
  216    HG3  LYS  27           1HG      LYS  27  -7.398  -2.874   2.451
  217    HD2  LYS  27           2HD      LYS  27  -8.557  -3.606   4.553
  218    HD3  LYS  27           1HD      LYS  27  -7.610  -2.395   5.421
  219    HE2  LYS  27           2HE      LYS  27  -8.562  -0.645   3.978
  220    HE3  LYS  27           1HE      LYS  27  -9.525  -1.865   3.148
  221    HZ1  LYS  27           3HZ      LYS  27 -10.820  -0.714   4.826
  222    HZ2  LYS  27           1HZ      LYS  27  -9.715  -1.169   6.032
  223    HZ3  LYS  27           2HZ      LYS  27 -10.648  -2.352   5.242
  224    H    THR  28           HN       THR  28  -5.525  -4.915   6.601
  225    HA   THR  28           HA       THR  28  -6.611  -2.740   8.072
  226    HB   THR  28           HB       THR  28  -5.817  -5.475   9.102
  227    HG1  THR  28           1HG      THR  28  -7.284  -5.610   7.329
  228   HG21  THR  28          3HG2      THR  28  -7.845  -3.480  10.115
  229   HG22  THR  28          1HG2      THR  28  -6.291  -3.839  10.870
  230   HG23  THR  28          2HG2      THR  28  -7.542  -5.081  10.790
  231    H    TYR  29           HN       TYR  29  -3.486  -4.389   8.108
  232    HA   TYR  29           HA       TYR  29  -2.405  -3.329  10.447
  233    HB2  TYR  29           2HB      TYR  29  -1.180  -4.203   7.852
  234    HB3  TYR  29           1HB      TYR  29  -0.180  -3.454   9.086
  235    HD1  TYR  29           1HD      TYR  29  -0.788  -4.565  11.558
  236    HD2  TYR  29           2HD      TYR  29  -0.997  -6.483   7.774
  237    HE1  TYR  29           1HE      TYR  29  -0.456  -6.743  12.650
  238    HE2  TYR  29           2HE      TYR  29  -0.683  -8.666   8.856
  239    HH   TYR  29           HH       TYR  29  -0.858  -9.104  12.245
  240    H    ALA  30           HN       ALA  30  -2.446  -2.002   7.170
  241    HA   ALA  30           HA       ALA  30  -0.802   0.226   7.765
  242    HB1  ALA  30           1HB      ALA  30  -2.779  -0.096   5.511
  243    HB2  ALA  30           2HB      ALA  30  -1.110  -0.662   5.495
  244    HB3  ALA  30           3HB      ALA  30  -1.454   1.065   5.586
  245    H    GLU  31           HN       GLU  31  -4.269  -0.294   7.906
  246    HA   GLU  31           HA       GLU  31  -4.990   2.448   8.114
  247    HB2  GLU  31           2HB      GLU  31  -6.484  -0.008   9.050
  248    HB3  GLU  31           1HB      GLU  31  -7.167   1.604   8.899
  249    HG2  GLU  31           2HG      GLU  31  -6.569   1.511   6.465
  250    HG3  GLU  31           1HG      GLU  31  -6.191  -0.194   6.709
  251    H    HIS  32           HN       HIS  32  -4.031   0.008  10.423
  252    HA   HIS  32           HA       HIS  32  -4.698   1.750  12.661
  253    HB2  HIS  32           2HB      HIS  32  -3.737  -1.110  12.507
  254    HB3  HIS  32           1HB      HIS  32  -3.910  -0.237  14.022
  255    HD1  HIS  32           1HD      HIS  32  -6.007  -0.919  15.151
  256    HD2  HIS  32           2HD      HIS  32  -6.443  -0.750  11.012
  257    HE1  HIS  32           1HE      HIS  32  -8.418  -1.493  14.690
  258    HE2  HIS  32           2HE      HIS  32  -8.679  -1.275  12.194
  259    H    GLU  33           HN       GLU  33  -2.386   1.872  10.577
  260    HA   GLU  33           HA       GLU  33  -0.324   2.794  10.506
  261    HB2  GLU  33           2HB      GLU  33  -1.448   4.331  12.200
  262    HB3  GLU  33           1HB      GLU  33  -0.612   3.411  13.442
  263    HG2  GLU  33           2HG      GLU  33   1.536   4.012  12.418
  264    HG3  GLU  33           1HG      GLU  33   0.677   4.972  11.213
  265    H    GLN  34           HN       GLN  34  -0.684  -0.022  11.201
  266    HA   GLN  34           HA       GLN  34   1.660  -0.555  12.882
  267    HB2  GLN  34           2HB      GLN  34  -0.649  -1.725  13.125
  268    HB3  GLN  34           1HB      GLN  34  -0.157  -2.643  11.712
  269    HG2  GLN  34           2HG      GLN  34   1.723  -3.553  12.872
  270    HG3  GLN  34           1HG      GLN  34   1.443  -2.491  14.252
  271   HE21  GLN  34          1HE2      GLN  34   1.581  -5.393  14.167
  272   HE22  GLN  34          2HE2      GLN  34   0.068  -5.977  14.772
  273    H    PHE  35           HN       PHE  35   2.304   0.648  10.603
  274    HA   PHE  35           HA       PHE  35   2.538  -0.855   8.259
  275    HB2  PHE  35           2HB      PHE  35   4.244   1.457   9.200
  276    HB3  PHE  35           1HB      PHE  35   4.159   0.855   7.549
  277    HD1  PHE  35           1HD      PHE  35   1.849   0.902   6.415
  278    HD2  PHE  35           2HD      PHE  35   2.814   3.136   9.905
  279    HE1  PHE  35           1HE      PHE  35  -0.011   2.441   5.938
  280    HE2  PHE  35           2HE      PHE  35   0.952   4.675   9.438
  281    HZ   PHE  35           HZ       PHE  35  -0.461   4.331   7.454
  282    H    ASP  36           HN       ASP  36   4.627  -0.674  11.069
  283    HA   ASP  36           HA       ASP  36   6.993  -1.660   9.905
  284    HB2  ASP  36           2HB      ASP  36   6.770  -0.630  12.191
  285    HB3  ASP  36           1HB      ASP  36   6.061  -2.142  12.739
  286    H    ALA  37           HN       ALA  37   4.300  -3.275  11.475
  287    HA   ALA  37           HA       ALA  37   5.329  -5.926  11.113
  288    HB1  ALA  37           1HB      ALA  37   2.523  -5.030  11.766
  289    HB2  ALA  37           2HB      ALA  37   3.793  -5.368  12.946
  290    HB3  ALA  37           3HB      ALA  37   3.162  -6.667  11.932
  291    H    ALA  38           HN       ALA  38   3.384  -3.721   9.303
  292    HA   ALA  38           HA       ALA  38   2.114  -5.576   7.585
  293    HB1  ALA  38           1HB      ALA  38   1.563  -3.632   6.222
  294    HB2  ALA  38           2HB      ALA  38   2.696  -2.653   7.153
  295    HB3  ALA  38           3HB      ALA  38   1.261  -3.322   7.931
  296    H    LEU  39           HN       LEU  39   5.202  -3.890   7.439
  297    HA   LEU  39           HA       LEU  39   5.739  -3.953   4.747
  298    HB2  LEU  39           2HB      LEU  39   7.640  -4.276   7.054
  299    HB3  LEU  39           1HB      LEU  39   8.159  -4.046   5.400
  300    HG   LEU  39           HG       LEU  39   6.522  -2.085   7.002
  301   HD11  LEU  39          1HD1      LEU  39   9.406  -1.996   6.132
  302   HD12  LEU  39          2HD1      LEU  39   8.836  -2.282   7.775
  303   HD13  LEU  39          3HD1      LEU  39   8.538  -0.727   6.997
  304   HD21  LEU  39          3HD2      LEU  39   6.932  -0.565   5.123
  305   HD22  LEU  39          1HD2      LEU  39   6.002  -1.978   4.626
  306   HD23  LEU  39          2HD2      LEU  39   7.720  -1.875   4.241
  307    HA   PRO  40           HA       PRO  40   7.716  -8.328   4.913
  308    HB2  PRO  40           2HB      PRO  40   7.226  -9.919   7.062
  309    HB3  PRO  40           1HB      PRO  40   8.627  -8.846   6.961
  310    HG2  PRO  40           2HG      PRO  40   6.028  -8.442   8.385
  311    HG3  PRO  40           1HG      PRO  40   7.675  -8.067   8.928
  312    HD2  PRO  40           2HD      PRO  40   5.985  -6.183   7.945
  313    HD3  PRO  40           1HD      PRO  40   7.745  -6.091   7.753
  314    H    HIS  41           HN       HIS  41   4.651  -7.865   6.531
  315    HA   HIS  41           HA       HIS  41   3.418 -10.285   5.746
  316    HB2  HIS  41           2HB      HIS  41   2.713  -8.762   7.633
  317    HB3  HIS  41           1HB      HIS  41   2.066  -7.663   6.420
  318    HD1  HIS  41           1HD      HIS  41   1.378 -10.858   8.189
  319    HD2  HIS  41           2HD      HIS  41  -0.287  -8.559   5.144
  320    HE1  HIS  41           1HE      HIS  41  -0.944 -11.764   7.843
  321    HE2  HIS  41           2HE      HIS  41  -1.854 -10.477   5.873
  322    H    LEU  42           HN       LEU  42   3.594  -7.068   4.312
  323    HA   LEU  42           HA       LEU  42   1.776  -7.592   2.182
  324    HB2  LEU  42           2HB      LEU  42   3.649  -5.433   2.922
  325    HB3  LEU  42           1HB      LEU  42   3.312  -5.588   1.210
  326    HG   LEU  42           HG       LEU  42   1.847  -3.937   2.251
  327   HD11  LEU  42          1HD1      LEU  42   1.011  -5.189   0.349
  328   HD12  LEU  42          2HD1      LEU  42  -0.295  -4.804   1.467
  329   HD13  LEU  42          3HD1      LEU  42   0.380  -6.434   1.425
  330   HD21  LEU  42          3HD2      LEU  42   0.146  -4.608   3.877
  331   HD22  LEU  42          1HD2      LEU  42   1.777  -4.837   4.510
  332   HD23  LEU  42          2HD2      LEU  42   0.849  -6.224   3.943
  333    H    ARG  43           HN       ARG  43   5.324  -7.716   2.450
  334    HA   ARG  43           HA       ARG  43   5.863  -8.267  -0.238
  335    HB2  ARG  43           2HB      ARG  43   7.344  -8.927   2.299
  336    HB3  ARG  43           1HB      ARG  43   7.969  -9.330   0.715
  337    HG2  ARG  43           2HG      ARG  43   7.797  -6.892   0.132
  338    HG3  ARG  43           1HG      ARG  43   7.439  -6.596   1.836
  339    HD2  ARG  43           2HD      ARG  43   9.577  -7.682   2.436
  340    HD3  ARG  43           1HD      ARG  43   9.929  -7.888   0.723
  341    HE   ARG  43           HE       ARG  43   9.666  -5.258   2.038
  342   HH11  ARG  43          1HH1      ARG  43  11.124  -7.362  -0.354
  343   HH12  ARG  43          2HH1      ARG  43  12.288  -6.176  -0.873
  344   HH21  ARG  43          1HH2      ARG  43  11.186  -3.700   1.371
  345   HH22  ARG  43          2HH2      ARG  43  12.318  -4.083   0.104
  346    H    ALA  44           HN       ALA  44   5.077 -10.372   2.478
  347    HA   ALA  44           HA       ALA  44   5.456 -12.825   1.115
  348    HB1  ALA  44           1HB      ALA  44   4.244 -13.835   2.954
  349    HB2  ALA  44           2HB      ALA  44   3.653 -12.255   3.467
  350    HB3  ALA  44           3HB      ALA  44   5.373 -12.629   3.570
  351    H    ALA  45           HN       ALA  45   2.717 -10.638   1.440
  352    HA   ALA  45           HA       ALA  45   0.744 -12.372   0.381
  353    HB1  ALA  45           1HB      ALA  45   0.814  -9.356   0.412
  354    HB2  ALA  45           2HB      ALA  45   0.182 -10.387   1.694
  355    HB3  ALA  45           3HB      ALA  45  -0.609 -10.356   0.118
  356    H    LEU  46           HN       LEU  46   2.771  -9.861  -1.072
  357    HA   LEU  46           HA       LEU  46   1.757 -10.061  -3.696
  358    HB2  LEU  46           2HB      LEU  46   4.463  -9.153  -2.715
  359    HB3  LEU  46           1HB      LEU  46   3.883  -8.943  -4.355
  360    HG   LEU  46           HG       LEU  46   2.626  -7.722  -1.896
  361   HD11  LEU  46          1HD1      LEU  46   4.785  -6.728  -2.392
  362   HD12  LEU  46          2HD1      LEU  46   3.485  -5.606  -2.791
  363   HD13  LEU  46          3HD1      LEU  46   4.310  -6.492  -4.073
  364   HD21  LEU  46          3HD2      LEU  46   0.976  -8.157  -3.616
  365   HD22  LEU  46          1HD2      LEU  46   2.002  -7.387  -4.828
  366   HD23  LEU  46          2HD2      LEU  46   1.308  -6.429  -3.522
  367    H    ASP  47           HN       ASP  47   4.022 -11.982  -1.931
  368    HA   ASP  47           HA       ASP  47   5.350 -13.213  -4.105
  369    HB2  ASP  47           2HB      ASP  47   6.088 -13.254  -1.708
  370    HB3  ASP  47           1HB      ASP  47   4.795 -14.394  -1.378
  371    H    PHE  48           HN       PHE  48   2.407 -13.943  -2.333
  372    HA   PHE  48           HA       PHE  48   1.946 -16.415  -3.747
  373    HB2  PHE  48           2HB      PHE  48   0.333 -14.846  -1.749
  374    HB3  PHE  48           1HB      PHE  48  -0.335 -16.248  -2.575
  375    HD1  PHE  48           2HD      PHE  48   0.649 -18.477  -2.216
  376    HD2  PHE  48           1HD      PHE  48   1.903 -15.080   0.018
  377    HE1  PHE  48           2HE      PHE  48   1.677 -19.961  -0.543
  378    HE2  PHE  48           1HE      PHE  48   2.934 -16.556   1.694
  379    HZ   PHE  48           HZ       PHE  48   2.820 -19.001   1.415
  380    H    ASP  49           HN       ASP  49   0.564 -13.136  -3.828
  381    HA   ASP  49           HA       ASP  49  -0.364 -13.700  -6.531
  382    HB2  ASP  49           2HB      ASP  49  -2.251 -14.184  -4.846
  383    HB3  ASP  49           1HB      ASP  49  -2.304 -12.440  -4.602
  384    HA   PRO  50           HA       PRO  50   1.515  -9.539  -6.210
  385    HB2  PRO  50           2HB      PRO  50   2.713  -9.618  -8.635
  386    HB3  PRO  50           1HB      PRO  50   3.429 -10.358  -7.199
  387    HG2  PRO  50           2HG      PRO  50   1.894 -11.637  -9.425
  388    HG3  PRO  50           1HG      PRO  50   3.362 -12.205  -8.608
  389    HD2  PRO  50           2HD      PRO  50   0.875 -13.154  -8.036
  390    HD3  PRO  50           1HD      PRO  50   2.184 -13.082  -6.840
  391    H    THR  51           HN       THR  51  -0.887 -10.955  -8.059
  392    HA   THR  51           HA       THR  51  -1.281  -8.666  -9.814
  393    HB   THR  51           HB       THR  51  -3.274 -10.155 -10.589
  394    HG1  THR  51           1HG      THR  51  -2.806 -11.629  -8.672
  395   HG21  THR  51          3HG2      THR  51  -1.283  -9.700 -11.932
  396   HG22  THR  51          1HG2      THR  51  -1.783 -11.383 -12.101
  397   HG23  THR  51          2HG2      THR  51  -0.408 -10.970 -11.077
  398    H    TYR  52           HN       TYR  52  -1.946  -9.047  -6.718
  399    HA   TYR  52           HA       TYR  52  -4.727  -8.278  -6.740
  400    HB2  TYR  52           2HB      TYR  52  -3.416  -9.530  -4.858
  401    HB3  TYR  52           1HB      TYR  52  -2.928  -7.911  -4.363
  402    HD1  TYR  52           2HD      TYR  52  -5.851 -10.105  -4.923
  403    HD2  TYR  52           1HD      TYR  52  -4.426  -6.502  -3.175
  404    HE1  TYR  52           2HE      TYR  52  -7.986  -9.846  -3.736
  405    HE2  TYR  52           1HE      TYR  52  -6.558  -6.233  -1.979
  406    HH   TYR  52           HH       TYR  52  -8.976  -7.009  -2.323
  407    H    SER  53           HN       SER  53  -4.967  -6.446  -7.856
  408    HA   SER  53           HA       SER  53  -3.279  -4.310  -8.133
  409    HB2  SER  53           2HB      SER  53  -6.296  -4.140  -8.154
  410    HB3  SER  53           1HB      SER  53  -5.160  -3.117  -9.035
  411    HG   SER  53           HG       SER  53  -6.023  -4.725 -10.398
  412    H    VAL  54           HN       VAL  54  -5.790  -4.739  -5.652
  413    HA   VAL  54           HA       VAL  54  -5.675  -2.138  -4.580
  414    HB   VAL  54           HB       VAL  54  -6.421  -4.736  -3.219
  415   HG11  VAL  54          1HG1      VAL  54  -7.557  -3.349  -1.555
  416   HG12  VAL  54          2HG1      VAL  54  -6.916  -1.898  -2.326
  417   HG13  VAL  54          3HG1      VAL  54  -5.819  -3.050  -1.563
  418   HG21  VAL  54          3HG2      VAL  54  -8.715  -4.005  -3.635
  419   HG22  VAL  54          1HG2      VAL  54  -7.812  -4.164  -5.142
  420   HG23  VAL  54          2HG2      VAL  54  -8.111  -2.567  -4.458
  421    H    ALA  55           HN       ALA  55  -3.710  -4.984  -3.999
  422    HA   ALA  55           HA       ALA  55  -2.463  -4.096  -1.622
  423    HB1  ALA  55           1HB      ALA  55  -0.816  -5.848  -2.048
  424    HB2  ALA  55           2HB      ALA  55  -1.447  -6.050  -3.681
  425    HB3  ALA  55           3HB      ALA  55  -2.459  -6.438  -2.290
  426    H    TRP  56           HN       TRP  56  -1.843  -3.465  -5.008
  427    HA   TRP  56           HA       TRP  56   0.816  -2.535  -4.803
  428    HB2  TRP  56           2HB      TRP  56  -1.279  -1.522  -6.739
  429    HB3  TRP  56           1HB      TRP  56   0.465  -1.478  -6.945
  430    HD1  TRP  56           1HD      TRP  56   0.575  -4.729  -5.910
  431    HE1  TRP  56           1HE      TRP  56   0.094  -6.475  -7.739
  432    HE3  TRP  56           3HE      TRP  56  -1.798  -1.717  -9.280
  433    HZ2  TRP  56           2HZ      TRP  56  -1.137  -6.556 -10.273
  434    HZ3  TRP  56           3HZ      TRP  56  -2.600  -2.707 -11.383
  435    HH2  TRP  56           2HH      TRP  56  -2.276  -5.078 -11.868
  436    H    LYS  57           HN       LYS  57  -2.299  -0.913  -4.598
  437    HA   LYS  57           HA       LYS  57  -1.327   1.724  -4.377
  438    HB2  LYS  57           2HB      LYS  57  -3.563   1.356  -5.103
  439    HB3  LYS  57           1HB      LYS  57  -3.954   0.420  -3.679
  440    HG2  LYS  57           2HG      LYS  57  -3.770   2.465  -2.314
  441    HG3  LYS  57           1HG      LYS  57  -3.451   3.384  -3.790
  442    HD2  LYS  57           2HD      LYS  57  -5.612   2.790  -4.683
  443    HD3  LYS  57           1HD      LYS  57  -5.930   1.729  -3.309
  444    HE2  LYS  57           2HE      LYS  57  -5.844   3.698  -1.819
  445    HE3  LYS  57           1HE      LYS  57  -5.614   4.732  -3.231
  446    HZ1  LYS  57           3HZ      LYS  57  -7.934   4.641  -2.467
  447    HZ2  LYS  57           1HZ      LYS  57  -7.977   2.977  -2.782
  448    HZ3  LYS  57           2HZ      LYS  57  -7.772   4.081  -4.056
  449    H    TRP  58           HN       TRP  58  -2.156  -0.731  -1.965
  450    HA   TRP  58           HA       TRP  58  -1.733   1.021   0.260
  451    HB2  TRP  58           2HB      TRP  58  -2.135  -1.942   0.012
  452    HB3  TRP  58           1HB      TRP  58  -1.716  -1.202   1.553
  453    HD1  TRP  58           1HD      TRP  58  -4.634  -2.063  -0.525
  454    HE1  TRP  58           1HE      TRP  58  -6.765  -0.977   0.417
  455    HE3  TRP  58           3HE      TRP  58  -2.494   1.263   2.730
  456    HZ2  TRP  58           2HZ      TRP  58  -7.452   1.012   2.289
  457    HZ3  TRP  58           3HZ      TRP  58  -3.965   2.714   4.057
  458    HH2  TRP  58           2HH      TRP  58  -6.392   2.594   3.837
  459    H    LEU  59           HN       LEU  59   0.291  -1.128  -1.600
  460    HA   LEU  59           HA       LEU  59   2.339  -1.617   0.227
  461    HB2  LEU  59           2HB      LEU  59   1.979  -2.593  -2.103
  462    HB3  LEU  59           1HB      LEU  59   2.756  -1.154  -2.725
  463    HG   LEU  59           HG       LEU  59   4.209  -3.212  -2.538
  464   HD11  LEU  59          1HD1      LEU  59   5.189  -1.009  -2.786
  465   HD12  LEU  59          2HD1      LEU  59   6.159  -2.001  -1.696
  466   HD13  LEU  59          3HD1      LEU  59   5.095  -0.755  -1.042
  467   HD21  LEU  59          3HD2      LEU  59   3.396  -4.035  -0.401
  468   HD22  LEU  59          1HD2      LEU  59   4.014  -2.593   0.404
  469   HD23  LEU  59          2HD2      LEU  59   5.133  -3.739  -0.337
  470    H    GLY  60           HN       GLY  60   2.004   1.049  -2.103
  471    HA2  GLY  60           2HA      GLY  60   4.361   2.413  -1.391
  472    HA3  GLY  60           1HA      GLY  60   2.953   3.137  -2.156
  473    H    LYS  61           HN       LYS  61   1.073   2.584  -0.097
  474    HA   LYS  61           HA       LYS  61   1.527   4.825   1.577
  475    HB2  LYS  61           2HB      LYS  61  -0.522   2.615   1.732
  476    HB3  LYS  61           1HB      LYS  61  -0.528   4.025   2.781
  477    HG2  LYS  61           2HG      LYS  61  -0.647   5.426   0.676
  478    HG3  LYS  61           1HG      LYS  61  -0.963   3.920  -0.191
  479    HD2  LYS  61           2HD      LYS  61  -3.029   5.153   0.425
  480    HD3  LYS  61           1HD      LYS  61  -2.955   3.530   1.116
  481    HE2  LYS  61           2HE      LYS  61  -2.451   4.342   3.255
  482    HE3  LYS  61           1HE      LYS  61  -2.014   5.929   2.643
  483    HZ1  LYS  61           3HZ      LYS  61  -4.756   4.790   2.719
  484    HZ2  LYS  61           1HZ      LYS  61  -4.348   6.313   2.098
  485    HZ3  LYS  61           2HZ      LYS  61  -4.144   5.990   3.747
  486    H    THR  62           HN       THR  62   2.000   1.383   1.969
  487    HA   THR  62           HA       THR  62   2.295   1.331   4.766
  488    HB   THR  62           HB       THR  62   3.600  -0.511   2.753
  489    HG1  THR  62           1HG      THR  62   1.296  -0.365   2.496
  490   HG21  THR  62          3HG2      THR  62   2.842  -0.924   5.647
  491   HG22  THR  62          1HG2      THR  62   4.480  -0.768   5.014
  492   HG23  THR  62          2HG2      THR  62   3.492  -2.160   4.571
  493    H    LEU  63           HN       LEU  63   4.646   1.723   2.139
  494    HA   LEU  63           HA       LEU  63   6.910   1.963   3.839
  495    HB2  LEU  63           2HB      LEU  63   6.451   2.898   1.007
  496    HB3  LEU  63           1HB      LEU  63   8.003   2.954   1.820
  497    HG   LEU  63           HG       LEU  63   6.446   0.424   1.272
  498   HD11  LEU  63          1HD1      LEU  63   8.831   1.608  -0.142
  499   HD12  LEU  63          2HD1      LEU  63   7.206   1.411  -0.803
  500   HD13  LEU  63          3HD1      LEU  63   8.180  -0.008  -0.417
  501   HD21  LEU  63          3HD2      LEU  63   9.261   0.856   2.269
  502   HD22  LEU  63          1HD2      LEU  63   8.517  -0.703   1.909
  503   HD23  LEU  63          2HD2      LEU  63   7.902   0.286   3.235
  504    H    GLN  64           HN       GLN  64   4.655   4.261   2.428
  505    HA   GLN  64           HA       GLN  64   5.964   6.640   3.095
  506    HB2  GLN  64           2HB      GLN  64   4.071   6.600   1.569
  507    HB3  GLN  64           1HB      GLN  64   3.006   6.063   2.859
  508    HG2  GLN  64           2HG      GLN  64   2.665   8.401   2.441
  509    HG3  GLN  64           1HG      GLN  64   3.388   8.181   4.033
  510   HE21  GLN  64          1HE2      GLN  64   5.149   7.942   1.021
  511   HE22  GLN  64          2HE2      GLN  64   6.101   9.367   1.239
  512    H    GLY  65           HN       GLY  65   3.525   4.800   4.902
  513    HA2  GLY  65           2HA      GLY  65   3.436   6.654   7.070
  514    HA3  GLY  65           1HA      GLY  65   2.729   5.046   7.046
  515    H    GLN  66           HN       GLN  66   5.569   4.077   6.293
  516    HA   GLN  66           HA       GLN  66   6.287   3.407   8.972
  517    HB2  GLN  66           2HB      GLN  66   6.615   2.092   6.696
  518    HB3  GLN  66           1HB      GLN  66   8.162   2.925   6.699
  519    HG2  GLN  66           2HG      GLN  66   7.438   1.620   9.227
  520    HG3  GLN  66           1HG      GLN  66   7.701   0.534   7.867
  521   HE21  GLN  66          1HE2      GLN  66   9.531  -0.324   8.874
  522   HE22  GLN  66          2HE2      GLN  66  11.030   0.538   8.941
  523    H    GLY  67           HN       GLY  67   7.408   5.754   6.606
  524    HA2  GLY  67           2HA      GLY  67   8.150   7.776   8.021
  525    HA3  GLY  67           1HA      GLY  67   9.404   6.678   8.567
  526    H    ASP  68           HN       ASP  68   9.137   5.732   5.500
  527    HA   ASP  68           HA       ASP  68  11.073   7.751   4.621
  528    HB2  ASP  68           2HB      ASP  68  12.136   5.570   4.925
  529    HB3  ASP  68           1HB      ASP  68  10.990   4.852   3.790
  530    H    ARG  69           HN       ARG  69  10.118   9.077   3.379
  531    HA   ARG  69           HA       ARG  69   7.930   8.556   1.690
  532    HB2  ARG  69           2HB      ARG  69   8.528  10.798   0.676
  533    HB3  ARG  69           1HB      ARG  69   8.230  10.786   2.405
  534    HG2  ARG  69           2HG      ARG  69  10.098  12.125   2.230
  535    HG3  ARG  69           1HG      ARG  69  10.787  10.551   2.620
  536    HD2  ARG  69           2HD      ARG  69  10.951  10.280   0.032
  537    HD3  ARG  69           1HD      ARG  69  10.813  12.040   0.025
  538    HE   ARG  69           HE       ARG  69  12.818  11.056   1.840
  539   HH11  ARG  69          1HH1      ARG  69  12.162  11.910  -1.501
  540   HH12  ARG  69          2HH1      ARG  69  13.830  12.254  -1.860
  541   HH21  ARG  69          1HH2      ARG  69  15.009  11.502   1.353
  542   HH22  ARG  69          2HH2      ARG  69  15.440  12.051  -0.241
  543    H    ALA  70           HN       ALA  70  11.342   8.173   1.219
  544    HA   ALA  70           HA       ALA  70  11.420   8.518  -1.597
  545    HB1  ALA  70           1HB      ALA  70  13.331   6.969   0.153
  546    HB2  ALA  70           2HB      ALA  70  13.425   8.699  -0.182
  547    HB3  ALA  70           3HB      ALA  70  13.641   7.533  -1.488
  548    H    GLY  71           HN       GLY  71  11.422   5.568   0.427
  549    HA2  GLY  71           2HA      GLY  71  11.238   3.740  -1.701
  550    HA3  GLY  71           1HA      GLY  71  10.707   3.435  -0.051
  551    H    ALA  72           HN       ALA  72   8.740   5.455   0.100
  552    HA   ALA  72           HA       ALA  72   6.506   4.157  -0.986
  553    HB1  ALA  72           1HB      ALA  72   6.342   5.583   0.963
  554    HB2  ALA  72           2HB      ALA  72   5.253   6.159  -0.301
  555    HB3  ALA  72           3HB      ALA  72   6.778   6.994  -0.002
  556    H    ARG  73           HN       ARG  73   8.182   7.126  -2.017
  557    HA   ARG  73           HA       ARG  73   6.598   7.746  -4.228
  558    HB2  ARG  73           2HB      ARG  73   8.239   9.331  -3.488
  559    HB3  ARG  73           1HB      ARG  73   9.545   8.178  -3.731
  560    HG2  ARG  73           2HG      ARG  73   9.017   8.216  -6.169
  561    HG3  ARG  73           1HG      ARG  73   7.898   9.537  -5.848
  562    HD2  ARG  73           2HD      ARG  73   9.625  10.988  -5.199
  563    HD3  ARG  73           1HD      ARG  73  10.774   9.662  -5.003
  564    HE   ARG  73           HE       ARG  73   9.929   9.702  -7.676
  565   HH11  ARG  73          1HH1      ARG  73  11.689  11.806  -5.478
  566   HH12  ARG  73          2HH1      ARG  73  12.770  12.380  -6.710
  567   HH21  ARG  73          1HH2      ARG  73  11.325  10.499  -9.295
  568   HH22  ARG  73          2HH2      ARG  73  12.558  11.658  -8.881
  569    H    GLN  74           HN       GLN  74   9.541   5.774  -4.056
  570    HA   GLN  74           HA       GLN  74   9.684   5.091  -6.764
  571    HB2  GLN  74           2HB      GLN  74  11.479   4.779  -5.047
  572    HB3  GLN  74           1HB      GLN  74  10.578   3.412  -4.416
  573    HG2  GLN  74           2HG      GLN  74  10.817   2.261  -6.559
  574    HG3  GLN  74           1HG      GLN  74  11.733   3.632  -7.186
  575   HE21  GLN  74          1HE2      GLN  74  13.583   2.444  -7.554
  576   HE22  GLN  74          2HE2      GLN  74  14.571   1.841  -6.268
  577    H    ALA  75           HN       ALA  75   8.066   3.501  -4.048
  578    HA   ALA  75           HA       ALA  75   7.176   1.209  -5.395
  579    HB1  ALA  75           1HB      ALA  75   5.555   0.996  -3.576
  580    HB2  ALA  75           2HB      ALA  75   5.901   2.650  -3.071
  581    HB3  ALA  75           3HB      ALA  75   7.156   1.414  -2.966
  582    H    TRP  76           HN       TRP  76   5.583   4.357  -4.906
  583    HA   TRP  76           HA       TRP  76   3.160   3.631  -6.161
  584    HB2  TRP  76           2HB      TRP  76   4.429   6.284  -5.536
  585    HB3  TRP  76           1HB      TRP  76   2.904   6.180  -6.403
  586    HD1  TRP  76           1HD      TRP  76   1.560   3.843  -4.711
  587    HE1  TRP  76           1HE      TRP  76   0.736   4.341  -2.326
  588    HE3  TRP  76           3HE      TRP  76   4.412   7.966  -3.716
  589    HZ2  TRP  76           2HZ      TRP  76   1.236   6.228  -0.284
  590    HZ3  TRP  76           3HZ      TRP  76   4.176   9.060  -1.522
  591    HH2  TRP  76           2HH      TRP  76   2.620   8.209   0.155
  592    H    GLU  77           HN       GLU  77   6.021   5.374  -7.377
  593    HA   GLU  77           HA       GLU  77   4.996   5.806  -9.960
  594    HB2  GLU  77           2HB      GLU  77   7.824   5.674  -8.927
  595    HB3  GLU  77           1HB      GLU  77   7.446   6.036 -10.606
  596    HG2  GLU  77           2HG      GLU  77   6.004   7.923  -9.742
  597    HG3  GLU  77           1HG      GLU  77   6.729   7.631  -8.162
  598    H    SER  78           HN       SER  78   6.727   3.073  -8.570
  599    HA   SER  78           HA       SER  78   7.005   1.683 -11.051
  600    HB2  SER  78           2HB      SER  78   7.066   0.591  -8.228
  601    HB3  SER  78           1HB      SER  78   7.635  -0.242  -9.675
  602    HG   SER  78           HG       SER  78   8.719   2.025  -8.379
  603    H    GLY  79           HN       GLY  79   4.708   1.496  -8.341
  604    HA2  GLY  79           2HA      GLY  79   3.189  -0.661  -9.351
  605    HA3  GLY  79           1HA      GLY  79   2.646   0.503  -8.153
  606    H    LEU  80           HN       LEU  80   3.160   2.723 -10.093
  607    HA   LEU  80           HA       LEU  80   0.646   3.051 -11.235
  608    HB2  LEU  80           2HB      LEU  80   2.800   4.622 -10.929
  609    HB3  LEU  80           1HB      LEU  80   2.986   4.235 -12.625
  610    HG   LEU  80           HG       LEU  80   0.707   5.093 -13.054
  611   HD11  LEU  80          1HD1      LEU  80  -0.397   6.440 -11.328
  612   HD12  LEU  80          2HD1      LEU  80   0.837   5.954 -10.165
  613   HD13  LEU  80          3HD1      LEU  80  -0.256   4.748 -10.846
  614   HD21  LEU  80          3HD2      LEU  80   1.278   7.459 -12.811
  615   HD22  LEU  80          1HD2      LEU  80   2.649   6.518 -13.398
  616   HD23  LEU  80          2HD2      LEU  80   2.589   7.028 -11.712
  617    H    ALA  81           HN       ALA  81   3.650   1.853 -12.639
  618    HA   ALA  81           HA       ALA  81   2.622   1.392 -15.242
  619    HB1  ALA  81           1HB      ALA  81   5.017   1.590 -14.804
  620    HB2  ALA  81           2HB      ALA  81   4.639   0.071 -15.614
  621    HB3  ALA  81           3HB      ALA  81   4.979   0.086 -13.884
  622    H    ALA  82           HN       ALA  82   2.668  -0.536 -12.320
  623    HA   ALA  82           HA       ALA  82   1.864  -2.985 -13.493
  624    HB1  ALA  82           1HB      ALA  82   2.771  -2.853 -11.220
  625    HB2  ALA  82           2HB      ALA  82   1.189  -3.633 -11.231
  626    HB3  ALA  82           3HB      ALA  82   1.345  -1.958 -10.698
  627    H    ALA  83           HN       ALA  83   0.092  -0.264 -12.086
  628    HA   ALA  83           HA       ALA  83  -2.508  -1.284 -12.534
  629    HB1  ALA  83           1HB      ALA  83  -3.282   0.984 -12.166
  630    HB2  ALA  83           2HB      ALA  83  -1.643   1.602 -12.373
  631    HB3  ALA  83           3HB      ALA  83  -2.030   0.574 -10.993
  632    H    GLN  84           HN       GLN  84  -0.432   0.875 -14.450
  633    HA   GLN  84           HA       GLN  84  -2.098   1.274 -16.637
  634    HB2  GLN  84           2HB      GLN  84   0.878   1.169 -16.292
  635    HB3  GLN  84           1HB      GLN  84   0.182   1.356 -17.894
  636    HG2  GLN  84           2HG      GLN  84  -0.457   3.171 -15.592
  637    HG3  GLN  84           1HG      GLN  84   0.833   3.475 -16.751
  638   HE21  GLN  84          1HE2      GLN  84   0.287   3.915 -18.918
  639   HE22  GLN  84          2HE2      GLN  84  -1.298   4.447 -19.361
  640    H    SER  85           HN       SER  85   0.230  -1.332 -16.036
  641    HA   SER  85           HA       SER  85  -0.076  -2.689 -18.452
  642    HB2  SER  85           2HB      SER  85   1.693  -3.148 -16.771
  643    HB3  SER  85           1HB      SER  85   0.485  -3.921 -15.746
  644    HG   SER  85           HG       SER  85   0.120  -5.182 -17.878
  645    H    ARG  86           HN       ARG  86  -2.165  -2.661 -15.639
  646    HA   ARG  86           HA       ARG  86  -3.728  -4.880 -16.702
  647    HB2  ARG  86           2HB      ARG  86  -3.998  -3.310 -14.141
  648    HB3  ARG  86           1HB      ARG  86  -5.006  -4.668 -14.599
  649    HG2  ARG  86           2HG      ARG  86  -2.057  -4.715 -14.046
  650    HG3  ARG  86           1HG      ARG  86  -3.338  -5.419 -13.064
  651    HD2  ARG  86           2HD      ARG  86  -2.639  -6.264 -15.871
  652    HD3  ARG  86           1HD      ARG  86  -2.131  -7.099 -14.405
  653    HE   ARG  86           HE       ARG  86  -4.974  -6.787 -14.588
  654   HH11  ARG  86          1HH1      ARG  86  -2.246  -8.762 -15.544
  655   HH12  ARG  86          2HH1      ARG  86  -3.215 -10.186 -15.822
  656   HH21  ARG  86          1HH2      ARG  86  -6.253  -8.643 -14.959
  657   HH22  ARG  86          2HH2      ARG  86  -5.495 -10.119 -15.493
  658    H    GLY  87           HN       GLY  87  -3.661  -1.487 -16.799
  659    HA2  GLY  87           2HA      GLY  87  -4.996  -0.178 -18.205
  660    HA3  GLY  87           1HA      GLY  87  -6.151  -1.494 -18.291
  661    H    ASP  88           HN       ASP  88  -5.100  -0.571 -15.161
  662    HA   ASP  88           HA       ASP  88  -7.800   0.319 -14.557
  663    HB2  ASP  88           2HB      ASP  88  -5.449  -0.451 -12.849
  664    HB3  ASP  88           1HB      ASP  88  -6.849   0.360 -12.160
  665    H    GLN  89           HN       GLN  89  -7.568   2.298 -15.758
  666    HA   GLN  89           HA       GLN  89  -5.796   4.347 -15.197
  667    HB2  GLN  89           2HB      GLN  89  -8.656   4.383 -16.134
  668    HB3  GLN  89           1HB      GLN  89  -7.665   5.826 -16.044
  669    HG2  GLN  89           2HG      GLN  89  -6.993   3.383 -17.659
  670    HG3  GLN  89           1HG      GLN  89  -7.757   4.836 -18.297
  671   HE21  GLN  89          1HE2      GLN  89  -5.219   3.623 -19.015
  672   HE22  GLN  89          2HE2      GLN  89  -4.000   4.809 -18.712
  673    H    GLN  90           HN       GLN  90  -8.834   3.522 -13.603
  674    HA   GLN  90           HA       GLN  90  -9.071   5.696 -11.897
  675    HB2  GLN  90           2HB      GLN  90 -10.844   4.102 -12.014
  676    HB3  GLN  90           1HB      GLN  90  -9.790   2.795 -11.494
  677    HG2  GLN  90           2HG      GLN  90  -9.621   3.759  -9.287
  678    HG3  GLN  90           1HG      GLN  90 -10.575   5.150  -9.794
  679   HE21  GLN  90          1HE2      GLN  90 -12.764   4.968  -9.982
  680   HE22  GLN  90          2HE2      GLN  90 -13.653   3.601  -9.396
  681    H    VAL  91           HN       VAL  91  -7.247   2.689 -11.425
  682    HA   VAL  91           HA       VAL  91  -6.345   3.323  -8.809
  683    HB   VAL  91           HB       VAL  91  -5.115   1.421 -10.819
  684   HG11  VAL  91          1HG1      VAL  91  -4.762   1.599  -7.831
  685   HG12  VAL  91          2HG1      VAL  91  -3.558   2.014  -9.050
  686   HG13  VAL  91          3HG1      VAL  91  -4.096   0.346  -8.876
  687   HG21  VAL  91          3HG2      VAL  91  -7.422   0.861 -10.355
  688   HG22  VAL  91          1HG2      VAL  91  -7.115   0.933  -8.619
  689   HG23  VAL  91          2HG2      VAL  91  -6.344  -0.313  -9.600
  690    H    VAL  92           HN       VAL  92  -5.009   3.787 -12.036
  691    HA   VAL  92           HA       VAL  92  -2.494   4.804 -11.353
  692    HB   VAL  92           HB       VAL  92  -4.255   5.584 -13.693
  693   HG11  VAL  92          1HG1      VAL  92  -1.290   5.960 -13.302
  694   HG12  VAL  92          2HG1      VAL  92  -2.506   7.236 -13.322
  695   HG13  VAL  92          3HG1      VAL  92  -2.185   6.300 -14.782
  696   HG21  VAL  92          3HG2      VAL  92  -2.919   3.961 -14.956
  697   HG22  VAL  92          1HG2      VAL  92  -3.783   3.192 -13.623
  698   HG23  VAL  92          2HG2      VAL  92  -2.058   3.526 -13.478
  699    H    LYS  93           HN       LYS  93  -5.614   6.450 -11.734
  700    HA   LYS  93           HA       LYS  93  -4.617   9.046 -11.221
  701    HB2  LYS  93           2HB      LYS  93  -7.415   7.931 -10.959
  702    HB3  LYS  93           1HB      LYS  93  -7.012   9.637 -10.830
  703    HG2  LYS  93           2HG      LYS  93  -6.146   9.588 -13.127
  704    HG3  LYS  93           1HG      LYS  93  -6.613   7.892 -13.252
  705    HD2  LYS  93           2HD      LYS  93  -8.512  10.178 -12.705
  706    HD3  LYS  93           1HD      LYS  93  -8.258   9.430 -14.282
  707    HE2  LYS  93           2HE      LYS  93  -9.020   7.286 -13.380
  708    HE3  LYS  93           1HE      LYS  93  -9.283   8.042 -11.809
  709    HZ1  LYS  93           3HZ      LYS  93 -11.348   7.885 -12.998
  710    HZ2  LYS  93           1HZ      LYS  93 -10.699   8.688 -14.342
  711    HZ3  LYS  93           2HZ      LYS  93 -10.910   9.518 -12.879
  712    H    GLU  94           HN       GLU  94  -6.077   6.582  -9.108
  713    HA   GLU  94           HA       GLU  94  -6.202   8.101  -6.766
  714    HB2  GLU  94           2HB      GLU  94  -5.755   5.136  -7.135
  715    HB3  GLU  94           1HB      GLU  94  -6.148   5.904  -5.608
  716    HG2  GLU  94           2HG      GLU  94  -8.270   6.678  -6.560
  717    HG3  GLU  94           1HG      GLU  94  -7.877   5.844  -8.064
  718    H    LEU  95           HN       LEU  95  -3.636   5.965  -7.980
  719    HA   LEU  95           HA       LEU  95  -1.903   6.426  -5.785
  720    HB2  LEU  95           2HB      LEU  95  -1.493   5.269  -8.522
  721    HB3  LEU  95           1HB      LEU  95  -0.159   5.476  -7.403
  722    HG   LEU  95           HG       LEU  95  -2.622   3.788  -6.886
  723   HD11  LEU  95          1HD1      LEU  95  -1.128   2.845  -8.593
  724   HD12  LEU  95          2HD1      LEU  95  -1.129   1.893  -7.110
  725   HD13  LEU  95          3HD1      LEU  95   0.223   2.969  -7.466
  726   HD21  LEU  95          3HD2      LEU  95  -1.379   3.020  -4.917
  727   HD22  LEU  95          1HD2      LEU  95  -1.742   4.746  -4.841
  728   HD23  LEU  95          2HD2      LEU  95  -0.117   4.204  -5.262
  729    H    GLN  96           HN       GLN  96  -2.368   8.003  -8.866
  730    HA   GLN  96           HA       GLN  96  -0.024   9.523  -8.987
  731    HB2  GLN  96           2HB      GLN  96  -1.648   9.307 -10.839
  732    HB3  GLN  96           1HB      GLN  96  -2.787  10.295  -9.939
  733    HG2  GLN  96           2HG      GLN  96  -1.174  12.159 -10.005
  734    HG3  GLN  96           1HG      GLN  96  -0.112  11.165 -11.002
  735   HE21  GLN  96          1HE2      GLN  96  -0.726  10.683 -13.119
  736   HE22  GLN  96          2HE2      GLN  96  -1.957  11.573 -13.944
  737    H    VAL  97           HN       VAL  97  -3.078  10.111  -7.310
  738    HA   VAL  97           HA       VAL  97  -2.664  12.792  -6.619
  739    HB   VAL  97           HB       VAL  97  -4.200  10.699  -5.065
  740   HG11  VAL  97          1HG1      VAL  97  -3.732  12.676  -3.704
  741   HG12  VAL  97          2HG1      VAL  97  -5.443  12.594  -4.126
  742   HG13  VAL  97          3HG1      VAL  97  -4.378  13.710  -4.977
  743   HG21  VAL  97          3HG2      VAL  97  -6.164  11.602  -6.246
  744   HG22  VAL  97          1HG2      VAL  97  -4.994  10.887  -7.355
  745   HG23  VAL  97          2HG2      VAL  97  -5.098  12.639  -7.193
  746    H    PHE  98           HN       PHE  98  -1.627   9.814  -5.018
  747    HA   PHE  98           HA       PHE  98  -0.617  10.994  -2.668
  748    HB2  PHE  98           2HB      PHE  98   0.232   8.483  -4.118
  749    HB3  PHE  98           1HB      PHE  98   0.848   8.957  -2.541
  750    HD1  PHE  98           1HD      PHE  98  -0.749   9.114  -0.611
  751    HD2  PHE  98           2HD      PHE  98  -1.817   7.369  -4.336
  752    HE1  PHE  98           1HE      PHE  98  -2.620   7.943   0.476
  753    HE2  PHE  98           2HE      PHE  98  -3.689   6.193  -3.259
  754    HZ   PHE  98           HZ       PHE  98  -4.092   6.479  -0.846
  755    H    LEU  99           HN       LEU  99   0.884  10.297  -5.786
  756    HA   LEU  99           HA       LEU  99   3.508  10.992  -5.085
  757    HB2  LEU  99           2HB      LEU  99   2.098  10.965  -7.742
  758    HB3  LEU  99           1HB      LEU  99   3.813  11.292  -7.573
  759    HG   LEU  99           HG       LEU  99   2.465   8.737  -6.692
  760   HD11  LEU  99          1HD1      LEU  99   3.549   7.728  -8.640
  761   HD12  LEU  99          2HD1      LEU  99   4.118   9.318  -9.148
  762   HD13  LEU  99          3HD1      LEU  99   2.389   8.969  -9.114
  763   HD21  LEU  99          3HD2      LEU  99   5.375   9.510  -6.909
  764   HD22  LEU  99          1HD2      LEU  99   4.767   7.907  -6.501
  765   HD23  LEU  99          2HD2      LEU  99   4.470   9.265  -5.416
  766    H    ARG 100           HN       ARG 100   0.809  12.972  -6.140
  767    HA   ARG 100           HA       ARG 100   2.364  15.230  -6.891
  768    HB2  ARG 100           2HB      ARG 100  -0.513  15.293  -5.979
  769    HB3  ARG 100           1HB      ARG 100   0.298  16.399  -7.078
  770    HG2  ARG 100           2HG      ARG 100   0.665  14.071  -8.369
  771    HG3  ARG 100           1HG      ARG 100  -0.876  13.760  -7.578
  772    HD2  ARG 100           2HD      ARG 100  -0.259  16.125  -9.342
  773    HD3  ARG 100           1HD      ARG 100  -1.162  14.693  -9.829
  774    HE   ARG 100           HE       ARG 100  -2.103  16.448  -7.655
  775   HH11  ARG 100          1HH1      ARG 100  -2.651  14.724 -10.652
  776   HH12  ARG 100          2HH1      ARG 100  -4.327  15.180 -10.753
  777   HH21  ARG 100          1HH2      ARG 100  -4.290  17.074  -7.799
  778   HH22  ARG 100          2HH2      ARG 100  -5.239  16.557  -9.167
  779    H    ARG 101           HN       ARG 101   0.593  14.346  -3.993
  780    HA   ARG 101           HA       ARG 101   1.319  16.666  -2.502
  781    HB2  ARG 101           2HB      ARG 101   0.230  13.967  -1.720
  782    HB3  ARG 101           1HB      ARG 101   0.611  15.200  -0.527
  783    HG2  ARG 101           2HG      ARG 101  -1.007  16.690  -1.443
  784    HG3  ARG 101           1HG      ARG 101  -1.289  15.618  -2.817
  785    HD2  ARG 101           2HD      ARG 101  -1.779  14.818   0.043
  786    HD3  ARG 101           1HD      ARG 101  -3.018  15.535  -0.985
  787    HE   ARG 101           HE       ARG 101  -2.411  13.529  -2.515
  788   HH11  ARG 101          1HH1      ARG 101  -2.430  13.475   0.983
  789   HH12  ARG 101          2HH1      ARG 101  -2.927  11.814   1.098
  790   HH21  ARG 101          1HH2      ARG 101  -3.094  11.343  -2.385
  791   HH22  ARG 101          2HH2      ARG 101  -3.340  10.610  -0.833
  792    H    LEU 102           HN       LEU 102   2.631  13.397  -2.766
  793    HA   LEU 102           HA       LEU 102   4.527  13.590  -0.709
  794    HB2  LEU 102           2HB      LEU 102   3.702  11.524  -1.909
  795    HB3  LEU 102           1HB      LEU 102   4.770  11.954  -3.226
  796    HG   LEU 102           HG       LEU 102   5.535  10.184  -1.509
  797   HD11  LEU 102          1HD1      LEU 102   7.351  12.483  -2.199
  798   HD12  LEU 102          2HD1      LEU 102   6.970  11.114  -3.244
  799   HD13  LEU 102          3HD1      LEU 102   7.856  10.854  -1.741
  800   HD21  LEU 102          3HD2      LEU 102   6.136  12.706   0.030
  801   HD22  LEU 102          1HD2      LEU 102   6.710  11.086   0.435
  802   HD23  LEU 102          2HD2      LEU 102   4.985  11.451   0.495
  803    H    ALA 103           HN       ALA 103   4.739  14.316  -4.167
  804    HA   ALA 103           HA       ALA 103   7.465  14.757  -4.400
  805    HB1  ALA 103           1HB      ALA 103   5.277  16.239  -5.853
  806    HB2  ALA 103           2HB      ALA 103   5.907  14.651  -6.295
  807    HB3  ALA 103           3HB      ALA 103   6.955  16.067  -6.372
  808    H    ARG 104           HN       ARG 104   5.005  16.837  -3.062
  809    HA   ARG 104           HA       ARG 104   6.358  19.288  -3.142
  810    HB2  ARG 104           2HB      ARG 104   4.341  18.261  -1.134
  811    HB3  ARG 104           1HB      ARG 104   4.820  19.944  -1.306
  812    HG2  ARG 104           2HG      ARG 104   3.857  20.086  -3.472
  813    HG3  ARG 104           1HG      ARG 104   3.622  18.341  -3.547
  814    HD2  ARG 104           2HD      ARG 104   1.518  19.464  -3.105
  815    HD3  ARG 104           1HD      ARG 104   1.998  18.486  -1.719
  816    HE   ARG 104           HE       ARG 104   2.802  20.646  -0.723
  817   HH11  ARG 104          1HH1      ARG 104   0.285  20.619  -3.174
  818   HH12  ARG 104          2HH1      ARG 104  -0.460  22.081  -2.595
  819   HH21  ARG 104          1HH2      ARG 104   1.809  22.551   0.031
  820   HH22  ARG 104          2HH2      ARG 104   0.388  23.168  -0.766
  821    H    GLU 105           HN       GLU 105   6.256  16.833  -0.548
  822    HA   GLU 105           HA       GLU 105   8.263  18.127   1.017
  823    HB2  GLU 105           2HB      GLU 105   6.984  15.403   1.070
  824    HB3  GLU 105           1HB      GLU 105   8.240  15.873   2.195
  825    HG2  GLU 105           2HG      GLU 105   5.747  17.487   1.874
  826    HG3  GLU 105           1HG      GLU 105   5.815  16.090   2.944
  827    H    ASP 106           HN       ASP 106   8.159  15.551  -1.346
  828    HA   ASP 106           HA       ASP 106  10.685  14.384  -0.909
  829    HB2  ASP 106           2HB      ASP 106   8.689  13.514  -2.256
  830    HB3  ASP 106           1HB      ASP 106   9.260  14.532  -3.565
  831    H    ALA 107           HN       ALA 107   9.661  17.011  -3.000
  832    HA   ALA 107           HA       ALA 107  12.002  17.370  -4.467
  833    HB1  ALA 107           1HB      ALA 107  11.255  19.643  -4.862
  834    HB2  ALA 107           2HB      ALA 107  10.125  19.526  -3.511
  835    HB3  ALA 107           3HB      ALA 107   9.888  18.529  -4.948
  836    H    LEU 108           HN       LEU 108  11.149  18.552  -1.254
  837    HA   LEU 108           HA       LEU 108  13.557  20.104  -0.984
  838    HB2  LEU 108           2HB      LEU 108  11.403  19.367   0.999
  839    HB3  LEU 108           1HB      LEU 108  12.724  20.455   1.329
  840    HG   LEU 108           HG       LEU 108  10.589  20.910  -0.733
  841   HD11  LEU 108          1HD1      LEU 108   9.801  22.659   0.775
  842   HD12  LEU 108          2HD1      LEU 108  11.033  22.205   1.950
  843   HD13  LEU 108          3HD1      LEU 108   9.739  21.074   1.550
  844   HD21  LEU 108          3HD2      LEU 108  11.552  23.173  -0.871
  845   HD22  LEU 108          1HD2      LEU 108  12.689  21.929  -1.390
  846   HD23  LEU 108          2HD2      LEU 108  12.854  22.664   0.203
  847    H    GLU 109           HN       GLU 109  12.246  17.155   0.497
  848    HA   GLU 109           HA       GLU 109  13.175  15.428   1.628
  849    HB2  GLU 109           2HB      GLU 109  15.786  16.374   0.460
  850    HB3  GLU 109           1HB      GLU 109  15.524  14.836   1.257
  851    HG2  GLU 109           2HG      GLU 109  13.995  14.175  -0.517
  852    HG3  GLU 109           1HG      GLU 109  14.255  15.728  -1.314
  853    H    HIS 110           HN       HIS 110  13.694  18.509   2.420
  854    HA   HIS 110           HA       HIS 110  15.584  17.958   4.593
  855    HB2  HIS 110           2HB      HIS 110  16.431  19.614   3.083
  856    HB3  HIS 110           1HB      HIS 110  14.911  20.494   3.107
  857    HD1  HIS 110           1HD      HIS 110  14.730  22.367   4.731
  858    HD2  HIS 110           2HD      HIS 110  17.895  19.817   5.610
  859    HE1  HIS 110           1HE      HIS 110  15.999  23.478   6.596
  860    HE2  HIS 110           2HE      HIS 110  17.980  21.986   7.030
  861    H    HIS 111           HN       HIS 111  12.373  18.827   3.947
  862    HA   HIS 111           HA       HIS 111  12.036  20.440   6.318
  863    HB2  HIS 111           2HB      HIS 111  10.922  21.010   4.177
  864    HB3  HIS 111           1HB      HIS 111   9.977  19.533   4.296
  865    HD1  HIS 111           1HD      HIS 111  10.389  22.899   5.979
  866    HD2  HIS 111           2HD      HIS 111   7.719  19.709   5.861
  867    HE1  HIS 111           1HE      HIS 111   8.357  23.665   7.238
  868    HE2  HIS 111           2HE      HIS 111   6.869  21.642   7.356
  869    H    HIS 112           HN       HIS 112  12.192  17.147   6.014
  870    HA   HIS 112           HA       HIS 112   9.767  16.744   7.595
  871    HB2  HIS 112           2HB      HIS 112   9.853  14.367   7.033
  872    HB3  HIS 112           1HB      HIS 112   9.788  15.391   5.611
  873    HD1  HIS 112           1HD      HIS 112  11.850  12.826   7.321
  874    HD2  HIS 112           2HD      HIS 112  12.148  15.351   4.021
  875    HE1  HIS 112           1HE      HIS 112  13.733  11.909   5.924
  876    HE2  HIS 112           2HE      HIS 112  13.985  13.521   4.005
  877    H    HIS 113           HN       HIS 113  13.055  17.026   8.249
  878    HA   HIS 113           HA       HIS 113  12.468  16.657  10.975
  879    HB2  HIS 113           2HB      HIS 113  13.714  14.715  11.609
  880    HB3  HIS 113           1HB      HIS 113  12.563  14.249  10.370
  881    HD1  HIS 113           1HD      HIS 113  16.042  13.965  11.289
  882    HD2  HIS 113           2HD      HIS 113  13.867  13.907   7.744
  883    HE1  HIS 113           1HE      HIS 113  17.537  12.863   9.590
  884    HE2  HIS 113           2HE      HIS 113  16.095  12.616   7.536
  885    H    HIS 114           HN       HIS 114  13.908  18.570   9.208
  886    HA   HIS 114           HA       HIS 114  15.938  19.163  11.127
  887    HB2  HIS 114           2HB      HIS 114  17.011  17.446   9.518
  888    HB3  HIS 114           1HB      HIS 114  17.016  18.762   8.345
  889    HD1  HIS 114           1HD      HIS 114  18.517  20.890   8.994
  890    HD2  HIS 114           2HD      HIS 114  19.021  17.521  11.383
  891    HE1  HIS 114           1HE      HIS 114  20.641  21.274  10.266
  892    HE2  HIS 114           2HE      HIS 114  21.015  19.165  11.581
  893    H    HIS 115           HN       HIS 115  16.720  21.273  10.978
  894    HA   HIS 115           HA       HIS 115  15.725  22.879   8.719
  895    HB2  HIS 115           2HB      HIS 115  15.794  23.567  11.656
  896    HB3  HIS 115           1HB      HIS 115  15.715  24.811  10.412
  897    HD1  HIS 115           1HD      HIS 115  13.672  22.122  12.039
  898    HD2  HIS 115           2HD      HIS 115  13.267  25.029   9.090
  899    HE1  HIS 115           1HE      HIS 115  11.206  22.260  11.551
  900    HE2  HIS 115           2HE      HIS 115  10.974  24.111   9.848
  Start of MODEL   14
    1    H1   MET   1           H1       MET   1 -17.730  -4.588  18.749
    2    H2   MET   1           H2       MET   1 -18.531  -6.045  19.087
    3    H3   MET   1           H3       MET   1 -18.018  -5.702  17.506
    4    HA   MET   1           HA       MET   1 -16.247  -6.084  19.844
    5    HB2  MET   1           2HB      MET   1 -15.569  -8.181  18.687
    6    HB3  MET   1           1HB      MET   1 -17.235  -8.197  19.244
    7    HG2  MET   1           2HG      MET   1 -17.961  -7.626  16.952
    8    HG3  MET   1           1HG      MET   1 -16.283  -7.752  16.428
    9    HE1  MET   1           2HE      MET   1 -18.080  -9.993  19.123
   10    HE2  MET   1           3HE      MET   1 -18.696 -11.309  18.123
   11    HE3  MET   1           1HE      MET   1 -19.357  -9.685  17.944
   12    H    GLN   2           HN       GLN   2 -14.189  -5.474  19.563
   13    HA   GLN   2           HA       GLN   2 -13.537  -4.217  16.999
   14    HB2  GLN   2           2HB      GLN   2 -12.556  -3.799  19.813
   15    HB3  GLN   2           1HB      GLN   2 -11.794  -3.067  18.417
   16    HG2  GLN   2           2HG      GLN   2 -13.838  -1.889  17.871
   17    HG3  GLN   2           1HG      GLN   2 -14.665  -2.677  19.215
   18   HE21  GLN   2          1HE2      GLN   2 -12.347  -0.275  18.284
   19   HE22  GLN   2          2HE2      GLN   2 -12.245   0.515  19.820
   20    H    ALA   3           HN       ALA   3 -10.920  -4.048  16.985
   21    HA   ALA   3           HA       ALA   3  -9.024  -5.127  16.384
   22    HB1  ALA   3           1HB      ALA   3  -9.765  -7.093  18.550
   23    HB2  ALA   3           2HB      ALA   3  -8.899  -5.578  18.799
   24    HB3  ALA   3           3HB      ALA   3  -8.167  -6.863  17.840
   25    H    ILE   4           HN       ILE   4 -10.542  -5.509  14.492
   26    HA   ILE   4           HA       ILE   4 -11.660  -7.975  13.886
   27    HB   ILE   4           HB       ILE   4 -10.403  -5.949  12.043
   28   HG12  ILE   4          2HG1      ILE   4 -12.213  -5.007  13.359
   29   HG13  ILE   4          1HG1      ILE   4 -12.741  -5.213  11.692
   30   HG21  ILE   4          1HG2      ILE   4 -11.767  -6.952  10.264
   31   HG22  ILE   4          2HG2      ILE   4 -12.282  -8.214  11.385
   32   HG23  ILE   4          3HG2      ILE   4 -10.588  -8.093  10.914
   33   HD11  ILE   4          3HD1      ILE   4 -13.411  -7.028  13.993
   34   HD12  ILE   4          1HD1      ILE   4 -13.932  -7.244  12.322
   35   HD13  ILE   4          2HD1      ILE   4 -14.483  -5.845  13.244
   36    H    THR   5           HN       THR   5  -8.339  -6.833  13.489
   37    HA   THR   5           HA       THR   5  -7.351  -8.925  11.938
   38    HB   THR   5           HB       THR   5  -6.068  -6.893  12.276
   39    HG1  THR   5           1HG      THR   5  -4.704  -9.173  13.338
   40   HG21  THR   5          3HG2      THR   5  -5.732  -7.808  15.135
   41   HG22  THR   5          1HG2      THR   5  -6.630  -6.388  14.589
   42   HG23  THR   5          2HG2      THR   5  -4.879  -6.457  14.390
   43    H    GLU   6           HN       GLU   6  -7.925  -8.733  15.395
   44    HA   GLU   6           HA       GLU   6  -6.286 -10.909  16.147
   45    HB2  GLU   6           2HB      GLU   6  -7.048  -9.216  17.750
   46    HB3  GLU   6           1HB      GLU   6  -8.708  -9.756  17.536
   47    HG2  GLU   6           2HG      GLU   6  -8.194 -11.892  18.509
   48    HG3  GLU   6           1HG      GLU   6  -6.485 -11.474  18.609
   49    H    ARG   7           HN       ARG   7  -9.796 -10.682  15.550
   50    HA   ARG   7           HA       ARG   7 -10.240 -13.437  16.010
   51    HB2  ARG   7           2HB      ARG   7 -12.465 -13.097  15.150
   52    HB3  ARG   7           1HB      ARG   7 -12.027 -11.737  16.168
   53    HG2  ARG   7           2HG      ARG   7 -12.963 -10.591  14.465
   54    HG3  ARG   7           1HG      ARG   7 -11.332 -10.721  13.801
   55    HD2  ARG   7           2HD      ARG   7 -11.967 -12.620  12.471
   56    HD3  ARG   7           1HD      ARG   7 -13.561 -12.665  13.223
   57    HE   ARG   7           HE       ARG   7 -13.128 -10.150  12.008
   58   HH11  ARG   7          1HH1      ARG   7 -13.797 -13.485  11.232
   59   HH12  ARG   7          2HH1      ARG   7 -14.596 -13.123   9.735
   60   HH21  ARG   7          1HH2      ARG   7 -14.207  -9.637  10.042
   61   HH22  ARG   7          2HH2      ARG   7 -14.846 -10.929   9.071
   62    H    LEU   8           HN       LEU   8  -9.322 -11.606  13.186
   63    HA   LEU   8           HA       LEU   8  -9.684 -13.670  11.280
   64    HB2  LEU   8           2HB      LEU   8  -7.870 -11.266  11.314
   65    HB3  LEU   8           1HB      LEU   8  -7.983 -12.359   9.950
   66    HG   LEU   8           HG       LEU   8 -10.277 -10.738  11.058
   67   HD11  LEU   8          1HD1      LEU   8 -10.044  -9.388   9.055
   68   HD12  LEU   8          2HD1      LEU   8  -8.651 -10.346   8.551
   69   HD13  LEU   8          3HD1      LEU   8  -8.556  -9.348  10.003
   70   HD21  LEU   8          3HD2      LEU   8 -10.054 -12.450   8.585
   71   HD22  LEU   8          1HD2      LEU   8 -11.433 -11.441   9.018
   72   HD23  LEU   8          2HD2      LEU   8 -11.000 -12.821  10.026
   73    H    GLU   9           HN       GLU   9  -6.855 -12.637  13.176
   74    HA   GLU   9           HA       GLU   9  -5.072 -14.585  12.214
   75    HB2  GLU   9           2HB      GLU   9  -5.195 -13.159  14.877
   76    HB3  GLU   9           1HB      GLU   9  -3.843 -14.166  14.372
   77    HG2  GLU   9           2HG      GLU   9  -3.302 -12.685  12.592
   78    HG3  GLU   9           1HG      GLU   9  -4.791 -11.769  12.820
   79    H    ALA  10           HN       ALA  10  -7.488 -14.659  14.762
   80    HA   ALA  10           HA       ALA  10  -6.774 -17.145  15.896
   81    HB1  ALA  10           1HB      ALA  10  -9.017 -17.123  16.876
   82    HB2  ALA  10           2HB      ALA  10  -9.469 -15.792  15.812
   83    HB3  ALA  10           3HB      ALA  10  -8.226 -15.555  17.040
   84    H    MET  11           HN       MET  11  -9.219 -16.323  13.414
   85    HA   MET  11           HA       MET  11  -9.999 -19.016  13.029
   86    HB2  MET  11           2HB      MET  11 -11.283 -18.223  11.161
   87    HB3  MET  11           1HB      MET  11 -11.428 -17.066  12.469
   88    HG2  MET  11           2HG      MET  11  -9.800 -15.618  11.373
   89    HG3  MET  11           1HG      MET  11  -9.654 -16.779  10.055
   90    HE1  MET  11           3HE      MET  11 -12.728 -17.723   9.790
   91    HE2  MET  11           1HE      MET  11 -11.678 -17.387   8.415
   92    HE3  MET  11           2HE      MET  11 -13.272 -16.639   8.509
   93    H    LEU  12           HN       LEU  12  -7.493 -17.010  11.666
   94    HA   LEU  12           HA       LEU  12  -6.835 -18.606   9.440
   95    HB2  LEU  12           2HB      LEU  12  -6.018 -16.255  10.033
   96    HB3  LEU  12           1HB      LEU  12  -4.875 -17.029  11.110
   97    HG   LEU  12           HG       LEU  12  -4.945 -17.692   8.171
   98   HD11  LEU  12          1HD1      LEU  12  -4.690 -15.278   8.345
   99   HD12  LEU  12          2HD1      LEU  12  -3.173 -16.032   7.851
  100   HD13  LEU  12          3HD1      LEU  12  -3.386 -15.487   9.516
  101   HD21  LEU  12          3HD2      LEU  12  -2.612 -18.298   8.562
  102   HD22  LEU  12          1HD2      LEU  12  -3.684 -19.197   9.636
  103   HD23  LEU  12          2HD2      LEU  12  -2.764 -17.826  10.255
  104    H    ALA  13           HN       ALA  13  -5.863 -18.701  12.823
  105    HA   ALA  13           HA       ALA  13  -4.054 -20.904  12.498
  106    HB1  ALA  13           1HB      ALA  13  -3.934 -20.889  14.936
  107    HB2  ALA  13           2HB      ALA  13  -5.289 -19.761  15.001
  108    HB3  ALA  13           3HB      ALA  13  -3.759 -19.263  14.278
  109    H    GLN  14           HN       GLN  14  -7.407 -20.672  12.580
  110    HA   GLN  14           HA       GLN  14  -7.861 -23.310  13.724
  111    HB2  GLN  14           2HB      GLN  14  -9.743 -21.301  12.477
  112    HB3  GLN  14           1HB      GLN  14 -10.254 -22.858  13.114
  113    HG2  GLN  14           2HG      GLN  14  -8.962 -20.638  14.682
  114    HG3  GLN  14           1HG      GLN  14 -10.673 -21.067  14.700
  115   HE21  GLN  14          1HE2      GLN  14  -7.478 -21.984  15.685
  116   HE22  GLN  14          2HE2      GLN  14  -7.951 -23.194  16.830
  117    H    GLY  15           HN       GLY  15  -6.828 -22.142  10.827
  118    HA2  GLY  15           2HA      GLY  15  -6.318 -23.767   9.094
  119    HA3  GLY  15           1HA      GLY  15  -7.885 -24.500   9.403
  120    H    THR  16           HN       THR  16  -6.877 -21.131   8.864
  121    HA   THR  16           HA       THR  16  -8.575 -21.099   6.471
  122    HB   THR  16           HB       THR  16  -8.372 -18.767   8.385
  123    HG1  THR  16           1HG      THR  16  -9.544 -20.266   9.497
  124   HG21  THR  16          3HG2      THR  16 -10.302 -17.924   7.129
  125   HG22  THR  16          1HG2      THR  16 -10.246 -19.347   6.087
  126   HG23  THR  16          2HG2      THR  16  -8.916 -18.189   6.071
  127    H    ASP  17           HN       ASP  17  -6.812 -21.296   5.147
  128    HA   ASP  17           HA       ASP  17  -4.740 -19.207   5.334
  129    HB2  ASP  17           2HB      ASP  17  -3.955 -21.566   5.463
  130    HB3  ASP  17           1HB      ASP  17  -4.633 -21.858   3.866
  131    H    ASN  18           HN       ASN  18  -5.831 -17.578   4.255
  132    HA   ASN  18           HA       ASN  18  -6.453 -18.126   1.425
  133    HB2  ASN  18           2HB      ASN  18  -7.781 -16.151   3.282
  134    HB3  ASN  18           1HB      ASN  18  -8.075 -16.242   1.554
  135   HD21  ASN  18          1HD2      ASN  18  -7.918 -19.187   1.564
  136   HD22  ASN  18          2HD2      ASN  18  -9.425 -19.713   2.231
  137    H    MET  19           HN       MET  19  -6.141 -16.388  -0.037
  138    HA   MET  19           HA       MET  19  -3.705 -14.954   0.391
  139    HB2  MET  19           2HB      MET  19  -4.187 -15.746  -1.818
  140    HB3  MET  19           1HB      MET  19  -5.750 -14.946  -1.831
  141    HG2  MET  19           2HG      MET  19  -4.564 -12.762  -1.763
  142    HG3  MET  19           1HG      MET  19  -3.043 -13.637  -1.921
  143    HE1  MET  19           3HE      MET  19  -4.165 -11.288  -3.883
  144    HE2  MET  19           1HE      MET  19  -3.670 -11.925  -5.450
  145    HE3  MET  19           2HE      MET  19  -2.574 -12.026  -4.076
  146    H    LEU  20           HN       LEU  20  -7.103 -14.026   0.010
  147    HA   LEU  20           HA       LEU  20  -6.731 -11.246   0.117
  148    HB2  LEU  20           2HB      LEU  20  -8.769 -12.630  -0.626
  149    HB3  LEU  20           1HB      LEU  20  -9.210 -12.668   1.065
  150    HG   LEU  20           HG       LEU  20  -8.794 -10.073  -0.406
  151   HD11  LEU  20          1HD1      LEU  20 -11.210  -9.997  -0.752
  152   HD12  LEU  20          2HD1      LEU  20 -11.362 -11.627  -0.094
  153   HD13  LEU  20          3HD1      LEU  20 -10.489 -11.362  -1.605
  154   HD21  LEU  20          3HD2      LEU  20  -8.806  -9.944   2.028
  155   HD22  LEU  20          1HD2      LEU  20 -10.346 -10.800   2.076
  156   HD23  LEU  20          2HD2      LEU  20 -10.254  -9.194   1.353
  157    H    LEU  21           HN       LEU  21  -7.384 -13.612   2.656
  158    HA   LEU  21           HA       LEU  21  -7.891 -11.843   4.756
  159    HB2  LEU  21           2HB      LEU  21  -8.167 -14.413   4.607
  160    HB3  LEU  21           1HB      LEU  21  -6.497 -14.480   5.127
  161    HG   LEU  21           HG       LEU  21  -8.582 -13.026   6.741
  162   HD11  LEU  21          1HD1      LEU  21  -9.367 -15.315   6.426
  163   HD12  LEU  21          2HD1      LEU  21  -8.822 -15.055   8.084
  164   HD13  LEU  21          3HD1      LEU  21  -7.798 -15.931   6.947
  165   HD21  LEU  21          3HD2      LEU  21  -6.236 -12.578   7.281
  166   HD22  LEU  21          1HD2      LEU  21  -5.950 -14.308   7.476
  167   HD23  LEU  21          2HD2      LEU  21  -7.038 -13.462   8.578
  168    H    ARG  22           HN       ARG  22  -4.843 -13.105   3.490
  169    HA   ARG  22           HA       ARG  22  -3.125 -12.196   5.509
  170    HB2  ARG  22           2HB      ARG  22  -2.565 -12.427   2.546
  171    HB3  ARG  22           1HB      ARG  22  -1.348 -12.285   3.806
  172    HG2  ARG  22           2HG      ARG  22  -1.988 -14.419   4.723
  173    HG3  ARG  22           1HG      ARG  22  -3.312 -14.555   3.564
  174    HD2  ARG  22           2HD      ARG  22  -1.596 -14.435   1.737
  175    HD3  ARG  22           1HD      ARG  22  -0.354 -14.555   2.981
  176    HE   ARG  22           HE       ARG  22  -1.601 -16.733   3.571
  177   HH11  ARG  22          1HH1      ARG  22  -1.185 -15.422   0.359
  178   HH12  ARG  22          2HH1      ARG  22  -1.295 -16.959  -0.442
  179   HH21  ARG  22          1HH2      ARG  22  -1.758 -18.778   2.528
  180   HH22  ARG  22          2HH2      ARG  22  -1.622 -18.867   0.800
  181    H    PHE  23           HN       PHE  23  -4.426 -10.574   2.662
  182    HA   PHE  23           HA       PHE  23  -2.966  -8.154   3.009
  183    HB2  PHE  23           2HB      PHE  23  -5.494  -8.771   1.476
  184    HB3  PHE  23           1HB      PHE  23  -4.702  -7.197   1.452
  185    HD1  PHE  23           2HD      PHE  23  -2.224  -7.170   0.725
  186    HD2  PHE  23           1HD      PHE  23  -4.895 -10.388  -0.051
  187    HE1  PHE  23           2HE      PHE  23  -0.769  -7.929  -1.109
  188    HE2  PHE  23           1HE      PHE  23  -3.445 -11.157  -1.881
  189    HZ   PHE  23           HZ       PHE  23  -1.380  -9.925  -2.416
  190    H    THR  24           HN       THR  24  -6.198  -9.235   3.976
  191    HA   THR  24           HA       THR  24  -7.203  -6.825   4.928
  192    HB   THR  24           HB       THR  24  -7.753  -9.534   6.154
  193    HG1  THR  24           1HG      THR  24  -9.226  -9.842   4.513
  194   HG21  THR  24          3HG2      THR  24  -9.435  -7.034   5.909
  195   HG22  THR  24          1HG2      THR  24  -8.703  -7.655   7.389
  196   HG23  THR  24          2HG2      THR  24  -9.980  -8.571   6.585
  197    H    LEU  25           HN       LEU  25  -5.246  -9.265   6.606
  198    HA   LEU  25           HA       LEU  25  -5.195  -8.044   9.133
  199    HB2  LEU  25           2HB      LEU  25  -3.089  -9.720   7.763
  200    HB3  LEU  25           1HB      LEU  25  -3.063  -9.291   9.463
  201    HG   LEU  25           HG       LEU  25  -5.173 -10.975   8.110
  202   HD11  LEU  25          1HD1      LEU  25  -3.010 -12.111   8.321
  203   HD12  LEU  25          2HD1      LEU  25  -4.227 -12.815   9.385
  204   HD13  LEU  25          3HD1      LEU  25  -2.992 -11.745  10.046
  205   HD21  LEU  25          3HD2      LEU  25  -4.795 -10.215  11.004
  206   HD22  LEU  25          1HD2      LEU  25  -5.967 -11.390  10.399
  207   HD23  LEU  25          2HD2      LEU  25  -6.103  -9.690   9.943
  208    H    GLY  26           HN       GLY  26  -2.997  -7.727   6.366
  209    HA2  GLY  26           2HA      GLY  26  -1.192  -5.928   7.581
  210    HA3  GLY  26           1HA      GLY  26  -1.393  -6.162   5.851
  211    H    LYS  27           HN       LYS  27  -4.059  -5.374   5.573
  212    HA   LYS  27           HA       LYS  27  -3.872  -2.589   5.391
  213    HB2  LYS  27           2HB      LYS  27  -6.308  -4.378   5.459
  214    HB3  LYS  27           1HB      LYS  27  -6.348  -2.674   5.042
  215    HG2  LYS  27           2HG      LYS  27  -4.969  -3.069   3.099
  216    HG3  LYS  27           1HG      LYS  27  -4.786  -4.768   3.545
  217    HD2  LYS  27           2HD      LYS  27  -6.459  -4.550   1.802
  218    HD3  LYS  27           1HD      LYS  27  -7.224  -5.065   3.304
  219    HE2  LYS  27           2HE      LYS  27  -7.848  -2.702   3.735
  220    HE3  LYS  27           1HE      LYS  27  -7.196  -2.279   2.154
  221    HZ1  LYS  27           3HZ      LYS  27  -9.495  -4.083   2.708
  222    HZ2  LYS  27           1HZ      LYS  27  -8.814  -3.855   1.167
  223    HZ3  LYS  27           2HZ      LYS  27  -9.547  -2.554   1.977
  224    H    THR  28           HN       THR  28  -5.266  -4.666   7.869
  225    HA   THR  28           HA       THR  28  -6.439  -2.625   9.417
  226    HB   THR  28           HB       THR  28  -5.435  -5.323  10.350
  227    HG1  THR  28           1HG      THR  28  -6.943  -5.650   8.731
  228   HG21  THR  28          3HG2      THR  28  -7.521  -3.483  11.529
  229   HG22  THR  28          1HG2      THR  28  -5.914  -3.772  12.194
  230   HG23  THR  28          2HG2      THR  28  -7.093  -5.083  12.135
  231    H    TYR  29           HN       TYR  29  -3.271  -4.222   9.590
  232    HA   TYR  29           HA       TYR  29  -2.320  -2.783  11.824
  233    HB2  TYR  29           2HB      TYR  29  -0.749  -3.987   9.531
  234    HB3  TYR  29           1HB      TYR  29  -0.062  -3.434  11.055
  235    HD1  TYR  29           1HD      TYR  29  -1.983  -4.505  13.017
  236    HD2  TYR  29           2HD      TYR  29  -0.391  -6.277   9.487
  237    HE1  TYR  29           1HE      TYR  29  -2.333  -6.740  13.985
  238    HE2  TYR  29           2HE      TYR  29  -0.736  -8.512  10.447
  239    HH   TYR  29           HH       TYR  29  -2.634  -9.069  13.192
  240    H    ALA  30           HN       ALA  30  -2.192  -2.187   8.351
  241    HA   ALA  30           HA       ALA  30  -0.425   0.006   8.427
  242    HB1  ALA  30           1HB      ALA  30  -1.167   0.478   6.159
  243    HB2  ALA  30           2HB      ALA  30  -2.548  -0.598   6.374
  244    HB3  ALA  30           3HB      ALA  30  -0.913  -1.253   6.381
  245    H    GLU  31           HN       GLU  31  -3.987  -0.130   8.382
  246    HA   GLU  31           HA       GLU  31  -4.536   2.573   8.465
  247    HB2  GLU  31           2HB      GLU  31  -5.953   0.328   8.365
  248    HB3  GLU  31           1HB      GLU  31  -6.129   0.652  10.082
  249    HG2  GLU  31           2HG      GLU  31  -6.776   2.660   7.967
  250    HG3  GLU  31           1HG      GLU  31  -7.922   1.480   8.579
  251    H    HIS  32           HN       HIS  32  -3.591   0.350  11.017
  252    HA   HIS  32           HA       HIS  32  -4.076   2.349  13.075
  253    HB2  HIS  32           2HB      HIS  32  -3.383  -0.577  13.133
  254    HB3  HIS  32           1HB      HIS  32  -3.307   0.417  14.583
  255    HD1  HIS  32           1HD      HIS  32  -5.341   0.006  15.931
  256    HD2  HIS  32           2HD      HIS  32  -6.162   0.105  11.853
  257    HE1  HIS  32           1HE      HIS  32  -7.838  -0.252  15.728
  258    HE2  HIS  32           2HE      HIS  32  -8.315   0.075  13.278
  259    H    GLU  33           HN       GLU  33  -1.851   2.379  10.998
  260    HA   GLU  33           HA       GLU  33   0.140   3.459  10.917
  261    HB2  GLU  33           2HB      GLU  33  -0.986   4.634  12.960
  262    HB3  GLU  33           1HB      GLU  33   0.191   3.734  13.902
  263    HG2  GLU  33           2HG      GLU  33   1.991   4.879  12.972
  264    HG3  GLU  33           1HG      GLU  33   1.040   5.450  11.600
  265    H    GLN  34           HN       GLN  34  -0.244   0.543  11.628
  266    HA   GLN  34           HA       GLN  34   2.444  -0.052  12.660
  267    HB2  GLN  34           2HB      GLN  34   0.014  -1.820  12.297
  268    HB3  GLN  34           1HB      GLN  34   1.583  -2.392  12.843
  269    HG2  GLN  34           2HG      GLN  34   1.422  -0.977  14.820
  270    HG3  GLN  34           1HG      GLN  34  -0.143  -0.379  14.270
  271   HE21  GLN  34          1HE2      GLN  34   1.606  -3.123  15.511
  272   HE22  GLN  34          2HE2      GLN  34   0.216  -4.051  15.985
  273    H    PHE  35           HN       PHE  35   2.460   1.013  10.195
  274    HA   PHE  35           HA       PHE  35   2.036  -0.561   7.956
  275    HB2  PHE  35           2HB      PHE  35   4.277   1.432   8.364
  276    HB3  PHE  35           1HB      PHE  35   3.658   0.871   6.817
  277    HD1  PHE  35           1HD      PHE  35   1.353   1.505   6.117
  278    HD2  PHE  35           2HD      PHE  35   3.235   3.185   9.546
  279    HE1  PHE  35           1HE      PHE  35  -0.260   3.361   6.088
  280    HE2  PHE  35           2HE      PHE  35   1.622   5.043   9.524
  281    HZ   PHE  35           HZ       PHE  35  -0.128   5.134   7.792
  282    H    ASP  36           HN       ASP  36   4.747  -0.468  10.163
  283    HA   ASP  36           HA       ASP  36   6.666  -1.954   8.846
  284    HB2  ASP  36           2HB      ASP  36   7.041  -0.881  10.997
  285    HB3  ASP  36           1HB      ASP  36   5.930  -1.994  11.776
  286    H    ALA  37           HN       ALA  37   4.028  -3.129  10.869
  287    HA   ALA  37           HA       ALA  37   4.738  -5.874  10.710
  288    HB1  ALA  37           1HB      ALA  37   2.068  -4.657  11.403
  289    HB2  ALA  37           2HB      ALA  37   3.381  -4.971  12.537
  290    HB3  ALA  37           3HB      ALA  37   2.575  -6.315  11.729
  291    H    ALA  38           HN       ALA  38   2.787  -3.778   8.754
  292    HA   ALA  38           HA       ALA  38   1.400  -5.819   7.331
  293    HB1  ALA  38           1HB      ALA  38   0.717  -4.033   5.822
  294    HB2  ALA  38           2HB      ALA  38   1.896  -2.948   6.561
  295    HB3  ALA  38           3HB      ALA  38   0.533  -3.544   7.506
  296    H    LEU  39           HN       LEU  39   4.439  -4.132   6.864
  297    HA   LEU  39           HA       LEU  39   4.815  -4.344   4.157
  298    HB2  LEU  39           2HB      LEU  39   6.839  -4.499   6.375
  299    HB3  LEU  39           1HB      LEU  39   7.271  -4.349   4.686
  300    HG   LEU  39           HG       LEU  39   5.620  -2.341   6.220
  301   HD11  LEU  39          1HD1      LEU  39   8.512  -2.246   5.363
  302   HD12  LEU  39          2HD1      LEU  39   7.930  -2.412   7.020
  303   HD13  LEU  39          3HD1      LEU  39   7.613  -0.929   6.119
  304   HD21  LEU  39          3HD2      LEU  39   5.981  -0.926   4.265
  305   HD22  LEU  39          1HD2      LEU  39   5.122  -2.404   3.831
  306   HD23  LEU  39          2HD2      LEU  39   6.840  -2.244   3.465
  307    HA   PRO  40           HA       PRO  40   7.081  -8.566   4.480
  308    HB2  PRO  40           2HB      PRO  40   6.656 -10.116   6.675
  309    HB3  PRO  40           1HB      PRO  40   7.996  -8.971   6.541
  310    HG2  PRO  40           2HG      PRO  40   5.362  -8.657   7.929
  311    HG3  PRO  40           1HG      PRO  40   6.980  -8.183   8.478
  312    HD2  PRO  40           2HD      PRO  40   5.234  -6.407   7.432
  313    HD3  PRO  40           1HD      PRO  40   6.988  -6.259   7.205
  314    H    HIS  41           HN       HIS  41   3.935  -8.295   6.010
  315    HA   HIS  41           HA       HIS  41   3.011 -10.881   5.241
  316    HB2  HIS  41           2HB      HIS  41   2.140  -8.996   7.009
  317    HB3  HIS  41           1HB      HIS  41   0.975  -8.803   5.702
  318    HD1  HIS  41           1HD      HIS  41  -1.025 -10.237   5.979
  319    HD2  HIS  41           2HD      HIS  41   2.353 -11.923   7.719
  320    HE1  HIS  41           1HE      HIS  41  -1.808 -12.366   7.065
  321    HE2  HIS  41           2HE      HIS  41   0.216 -13.263   8.271
  322    H    LEU  42           HN       LEU  42   2.601  -7.612   3.937
  323    HA   LEU  42           HA       LEU  42   0.920  -8.437   1.787
  324    HB2  LEU  42           2HB      LEU  42   2.366  -5.934   2.507
  325    HB3  LEU  42           1HB      LEU  42   1.840  -6.129   0.847
  326    HG   LEU  42           HG       LEU  42  -0.486  -6.419   1.631
  327   HD11  LEU  42          1HD1      LEU  42  -0.028  -7.313   3.855
  328   HD12  LEU  42          2HD1      LEU  42  -1.070  -5.894   3.936
  329   HD13  LEU  42          3HD1      LEU  42   0.639  -5.755   4.347
  330   HD21  LEU  42          3HD2      LEU  42   0.868  -3.907   2.605
  331   HD22  LEU  42          1HD2      LEU  42  -0.852  -4.086   2.264
  332   HD23  LEU  42          2HD2      LEU  42   0.325  -4.221   0.957
  333    H    ARG  43           HN       ARG  43   4.402  -7.898   2.129
  334    HA   ARG  43           HA       ARG  43   5.059  -8.194  -0.591
  335    HB2  ARG  43           2HB      ARG  43   6.630  -7.286   1.071
  336    HB3  ARG  43           1HB      ARG  43   6.740  -8.866   1.836
  337    HG2  ARG  43           2HG      ARG  43   8.671  -8.521   0.460
  338    HG3  ARG  43           1HG      ARG  43   7.667  -9.777  -0.266
  339    HD2  ARG  43           2HD      ARG  43   6.691  -8.001  -1.751
  340    HD3  ARG  43           1HD      ARG  43   7.912  -6.896  -1.122
  341    HE   ARG  43           HE       ARG  43   8.828  -9.402  -2.310
  342   HH11  ARG  43          1HH1      ARG  43   8.443  -5.932  -2.585
  343   HH12  ARG  43          2HH1      ARG  43   9.516  -5.788  -3.937
  344   HH21  ARG  43          1HH2      ARG  43  10.251  -9.225  -4.096
  345   HH22  ARG  43          2HH2      ARG  43  10.563  -7.659  -4.787
  346    H    ALA  44           HN       ALA  44   4.745 -10.567   2.027
  347    HA   ALA  44           HA       ALA  44   5.613 -12.806   0.560
  348    HB1  ALA  44           1HB      ALA  44   4.547 -14.143   2.287
  349    HB2  ALA  44           2HB      ALA  44   3.658 -12.730   2.859
  350    HB3  ALA  44           3HB      ALA  44   5.415 -12.785   3.003
  351    H    ALA  45           HN       ALA  45   2.412 -11.370   0.983
  352    HA   ALA  45           HA       ALA  45   1.003 -13.396  -0.428
  353    HB1  ALA  45           1HB      ALA  45  -0.069 -11.924   1.201
  354    HB2  ALA  45           2HB      ALA  45  -0.873 -11.848  -0.367
  355    HB3  ALA  45           3HB      ALA  45   0.204 -10.546   0.138
  356    H    LEU  46           HN       LEU  46   2.212 -10.183  -1.347
  357    HA   LEU  46           HA       LEU  46   1.272 -10.250  -4.012
  358    HB2  LEU  46           2HB      LEU  46   3.517  -8.702  -2.725
  359    HB3  LEU  46           1HB      LEU  46   3.031  -8.478  -4.395
  360    HG   LEU  46           HG       LEU  46   1.264  -8.013  -1.993
  361   HD11  LEU  46          1HD1      LEU  46   2.656  -6.082  -3.840
  362   HD12  LEU  46          2HD1      LEU  46   3.002  -6.339  -2.130
  363   HD13  LEU  46          3HD1      LEU  46   1.459  -5.642  -2.624
  364   HD21  LEU  46          3HD2      LEU  46   0.796  -7.512  -4.930
  365   HD22  LEU  46          1HD2      LEU  46  -0.281  -7.029  -3.620
  366   HD23  LEU  46          2HD2      LEU  46   0.003  -8.740  -3.943
  367    H    ASP  47           HN       ASP  47   4.015 -11.624  -2.460
  368    HA   ASP  47           HA       ASP  47   5.697 -12.117  -4.636
  369    HB2  ASP  47           2HB      ASP  47   6.359 -12.493  -2.312
  370    HB3  ASP  47           1HB      ASP  47   5.196 -13.800  -2.173
  371    H    PHE  48           HN       PHE  48   3.016 -14.003  -3.322
  372    HA   PHE  48           HA       PHE  48   3.294 -16.107  -5.257
  373    HB2  PHE  48           2HB      PHE  48   1.100 -15.488  -3.274
  374    HB3  PHE  48           1HB      PHE  48   1.115 -16.910  -4.308
  375    HD1  PHE  48           1HD      PHE  48   3.201 -18.434  -4.125
  376    HD2  PHE  48           2HD      PHE  48   2.073 -15.578  -1.182
  377    HE1  PHE  48           1HE      PHE  48   4.513 -19.657  -2.442
  378    HE2  PHE  48           2HE      PHE  48   3.387 -16.794   0.506
  379    HZ   PHE  48           HZ       PHE  48   4.608 -18.839  -0.122
  380    H    ASP  49           HN       ASP  49   1.082 -13.363  -4.827
  381    HA   ASP  49           HA       ASP  49   0.406 -13.528  -7.646
  382    HB2  ASP  49           2HB      ASP  49  -1.253 -14.962  -6.288
  383    HB3  ASP  49           1HB      ASP  49  -1.883 -13.424  -5.700
  384    HA   PRO  50           HA       PRO  50   0.991  -9.247  -6.212
  385    HB2  PRO  50           2HB      PRO  50   2.058  -8.351  -8.528
  386    HB3  PRO  50           1HB      PRO  50   2.997  -9.223  -7.312
  387    HG2  PRO  50           2HG      PRO  50   1.772 -10.243  -9.845
  388    HG3  PRO  50           1HG      PRO  50   3.376 -10.575  -9.166
  389    HD2  PRO  50           2HD      PRO  50   1.291 -12.296  -8.930
  390    HD3  PRO  50           1HD      PRO  50   2.564 -12.152  -7.700
  391    H    THR  51           HN       THR  51  -1.147 -10.641  -8.338
  392    HA   THR  51           HA       THR  51  -1.961  -8.443  -9.933
  393    HB   THR  51           HB       THR  51  -3.875 -10.638  -9.291
  394    HG1  THR  51           1HG      THR  51  -2.317 -12.046  -9.588
  395   HG21  THR  51          3HG2      THR  51  -4.424  -8.973 -11.003
  396   HG22  THR  51          1HG2      THR  51  -4.226 -10.572 -11.721
  397   HG23  THR  51          2HG2      THR  51  -2.942  -9.371 -11.875
  398    H    TYR  52           HN       TYR  52  -2.383  -8.962  -6.643
  399    HA   TYR  52           HA       TYR  52  -5.047  -8.017  -6.301
  400    HB2  TYR  52           2HB      TYR  52  -3.528  -9.304  -4.632
  401    HB3  TYR  52           1HB      TYR  52  -2.885  -7.718  -4.227
  402    HD1  TYR  52           1HD      TYR  52  -5.898  -9.839  -4.167
  403    HD2  TYR  52           2HD      TYR  52  -4.154  -6.178  -2.892
  404    HE1  TYR  52           1HE      TYR  52  -7.752  -9.515  -2.584
  405    HE2  TYR  52           2HE      TYR  52  -6.001  -5.844  -1.305
  406    HH   TYR  52           HH       TYR  52  -8.195  -8.306  -0.489
  407    H    SER  53           HN       SER  53  -5.438  -6.140  -7.342
  408    HA   SER  53           HA       SER  53  -3.615  -4.070  -7.758
  409    HB2  SER  53           2HB      SER  53  -5.911  -2.831  -8.267
  410    HB3  SER  53           1HB      SER  53  -5.278  -4.086  -9.333
  411    HG   SER  53           HG       SER  53  -7.544  -4.081  -7.804
  412    H    VAL  54           HN       VAL  54  -6.005  -4.534  -5.221
  413    HA   VAL  54           HA       VAL  54  -6.008  -1.897  -4.227
  414    HB   VAL  54           HB       VAL  54  -6.485  -4.457  -2.688
  415   HG11  VAL  54          1HG1      VAL  54  -6.070  -2.560  -1.213
  416   HG12  VAL  54          2HG1      VAL  54  -7.762  -3.053  -1.141
  417   HG13  VAL  54          3HG1      VAL  54  -7.298  -1.621  -2.061
  418   HG21  VAL  54          3HG2      VAL  54  -8.418  -2.654  -4.139
  419   HG22  VAL  54          1HG2      VAL  54  -8.865  -4.012  -3.107
  420   HG23  VAL  54          2HG2      VAL  54  -7.969  -4.298  -4.598
  421    H    ALA  55           HN       ALA  55  -3.870  -4.610  -3.708
  422    HA   ALA  55           HA       ALA  55  -2.616  -3.658  -1.357
  423    HB1  ALA  55           1HB      ALA  55  -2.558  -6.004  -2.029
  424    HB2  ALA  55           2HB      ALA  55  -0.934  -5.357  -1.787
  425    HB3  ALA  55           3HB      ALA  55  -1.563  -5.580  -3.421
  426    H    TRP  56           HN       TRP  56  -2.120  -3.001  -4.746
  427    HA   TRP  56           HA       TRP  56   0.541  -2.147  -4.698
  428    HB2  TRP  56           2HB      TRP  56  -1.676  -0.997  -6.408
  429    HB3  TRP  56           1HB      TRP  56   0.048  -0.931  -6.744
  430    HD1  TRP  56           1HD      TRP  56   0.111  -4.252  -5.781
  431    HE1  TRP  56           1HE      TRP  56  -0.456  -5.922  -7.658
  432    HE3  TRP  56           3HE      TRP  56  -2.186  -1.051  -9.038
  433    HZ2  TRP  56           2HZ      TRP  56  -1.714  -5.879 -10.186
  434    HZ3  TRP  56           3HZ      TRP  56  -3.045  -1.944 -11.163
  435    HH2  TRP  56           2HH      TRP  56  -2.813  -4.307 -11.726
  436    H    LYS  57           HN       LYS  57  -2.449  -0.315  -4.209
  437    HA   LYS  57           HA       LYS  57  -1.203   2.190  -3.818
  438    HB2  LYS  57           2HB      LYS  57  -3.507   2.073  -4.497
  439    HB3  LYS  57           1HB      LYS  57  -3.940   1.163  -3.066
  440    HG2  LYS  57           2HG      LYS  57  -3.473   3.115  -1.673
  441    HG3  LYS  57           1HG      LYS  57  -3.007   4.028  -3.110
  442    HD2  LYS  57           2HD      LYS  57  -5.248   3.827  -4.008
  443    HD3  LYS  57           1HD      LYS  57  -5.729   2.805  -2.652
  444    HE2  LYS  57           2HE      LYS  57  -5.296   4.683  -1.116
  445    HE3  LYS  57           1HE      LYS  57  -4.879   5.697  -2.495
  446    HZ1  LYS  57           3HZ      LYS  57  -7.092   5.605  -3.294
  447    HZ2  LYS  57           1HZ      LYS  57  -7.202   5.936  -1.635
  448    HZ3  LYS  57           2HZ      LYS  57  -7.519   4.374  -2.208
  449    H    TRP  58           HN       TRP  58  -2.114  -0.404  -1.616
  450    HA   TRP  58           HA       TRP  58  -1.546   1.092   0.763
  451    HB2  TRP  58           2HB      TRP  58  -2.056  -1.826   0.231
  452    HB3  TRP  58           1HB      TRP  58  -1.585  -1.247   1.828
  453    HD1  TRP  58           1HD      TRP  58  -4.512  -1.246  -0.621
  454    HE1  TRP  58           1HE      TRP  58  -6.622  -0.437   0.612
  455    HE3  TRP  58           3HE      TRP  58  -2.370   0.245   3.768
  456    HZ2  TRP  58           2HZ      TRP  58  -7.293   0.679   3.119
  457    HZ3  TRP  58           3HZ      TRP  58  -3.811   1.168   5.534
  458    HH2  TRP  58           2HH      TRP  58  -6.221   1.381   5.216
  459    H    LEU  59           HN       LEU  59   0.293  -0.973  -1.362
  460    HA   LEU  59           HA       LEU  59   2.422  -1.617   0.357
  461    HB2  LEU  59           2HB      LEU  59   1.770  -2.460  -2.040
  462    HB3  LEU  59           1HB      LEU  59   2.823  -1.170  -2.577
  463    HG   LEU  59           HG       LEU  59   3.882  -3.428  -2.491
  464   HD11  LEU  59          1HD1      LEU  59   5.128  -1.357  -0.697
  465   HD12  LEU  59          2HD1      LEU  59   5.244  -1.408  -2.456
  466   HD13  LEU  59          3HD1      LEU  59   5.970  -2.691  -1.487
  467   HD21  LEU  59          3HD2      LEU  59   2.776  -4.240  -0.469
  468   HD22  LEU  59          1HD2      LEU  59   3.664  -3.055   0.488
  469   HD23  LEU  59          2HD2      LEU  59   4.531  -4.348  -0.339
  470    H    GLY  60           HN       GLY  60   1.958   1.092  -1.878
  471    HA2  GLY  60           2HA      GLY  60   4.430   2.363  -1.391
  472    HA3  GLY  60           1HA      GLY  60   2.975   3.152  -1.986
  473    H    LYS  61           HN       LYS  61   1.296   2.615   0.199
  474    HA   LYS  61           HA       LYS  61   1.894   4.756   1.913
  475    HB2  LYS  61           2HB      LYS  61  -0.065   2.475   2.168
  476    HB3  LYS  61           1HB      LYS  61  -0.000   3.822   3.296
  477    HG2  LYS  61           2HG      LYS  61  -0.562   5.373   1.547
  478    HG3  LYS  61           1HG      LYS  61  -0.492   4.086   0.340
  479    HD2  LYS  61           2HD      LYS  61  -2.806   4.665   1.043
  480    HD3  LYS  61           1HD      LYS  61  -2.381   2.979   1.335
  481    HE2  LYS  61           2HE      LYS  61  -3.589   3.905   3.232
  482    HE3  LYS  61           1HE      LYS  61  -1.936   3.490   3.680
  483    HZ1  LYS  61           3HZ      LYS  61  -1.370   5.874   3.359
  484    HZ2  LYS  61           1HZ      LYS  61  -2.466   5.587   4.621
  485    HZ3  LYS  61           2HZ      LYS  61  -3.023   6.201   3.143
  486    H    THR  62           HN       THR  62   2.311   1.255   2.310
  487    HA   THR  62           HA       THR  62   2.953   1.417   5.061
  488    HB   THR  62           HB       THR  62   3.872  -0.965   4.474
  489    HG1  THR  62           1HG      THR  62   2.065  -0.675   2.334
  490   HG21  THR  62          3HG2      THR  62   0.947  -0.264   4.304
  491   HG22  THR  62          1HG2      THR  62   1.862  -0.516   5.789
  492   HG23  THR  62          2HG2      THR  62   1.601  -1.858   4.676
  493    H    LEU  63           HN       LEU  63   4.917   1.123   2.098
  494    HA   LEU  63           HA       LEU  63   7.401   1.068   3.485
  495    HB2  LEU  63           2HB      LEU  63   6.663   1.685   0.637
  496    HB3  LEU  63           1HB      LEU  63   8.309   1.868   1.209
  497    HG   LEU  63           HG       LEU  63   6.722  -0.702   1.212
  498   HD11  LEU  63          1HD1      LEU  63   8.412  -1.409  -0.452
  499   HD12  LEU  63          2HD1      LEU  63   9.032   0.242  -0.476
  500   HD13  LEU  63          3HD1      LEU  63   7.389  -0.091  -1.019
  501   HD21  LEU  63          3HD2      LEU  63   8.264  -0.558   3.108
  502   HD22  LEU  63          1HD2      LEU  63   9.584  -0.178   2.003
  503   HD23  LEU  63          2HD2      LEU  63   8.795  -1.754   1.927
  504    H    GLN  64           HN       GLN  64   5.315   3.620   2.344
  505    HA   GLN  64           HA       GLN  64   7.091   5.786   2.649
  506    HB2  GLN  64           2HB      GLN  64   4.914   5.921   1.469
  507    HB3  GLN  64           1HB      GLN  64   4.090   5.764   3.013
  508    HG2  GLN  64           2HG      GLN  64   5.250   7.849   3.752
  509    HG3  GLN  64           1HG      GLN  64   5.839   8.031   2.101
  510   HE21  GLN  64          1HE2      GLN  64   4.742   9.942   1.750
  511   HE22  GLN  64          2HE2      GLN  64   3.024  10.016   1.597
  512    H    GLY  65           HN       GLY  65   4.699   4.368   4.861
  513    HA2  GLY  65           2HA      GLY  65   4.525   4.435   7.151
  514    HA3  GLY  65           1HA      GLY  65   6.239   4.825   7.178
  515    H    GLN  66           HN       GLN  66   4.208   6.891   5.372
  516    HA   GLN  66           HA       GLN  66   3.514   9.035   5.589
  517    HB2  GLN  66           2HB      GLN  66   2.280   8.038   7.549
  518    HB3  GLN  66           1HB      GLN  66   3.600   8.577   8.574
  519    HG2  GLN  66           2HG      GLN  66   3.139  10.898   7.931
  520    HG3  GLN  66           1HG      GLN  66   1.798  10.343   6.932
  521   HE21  GLN  66          1HE2      GLN  66   1.871  12.136   9.267
  522   HE22  GLN  66          2HE2      GLN  66   0.773  11.462  10.419
  523    H    GLY  67           HN       GLY  67   6.455   8.169   5.873
  524    HA2  GLY  67           2HA      GLY  67   7.417  10.858   6.532
  525    HA3  GLY  67           1HA      GLY  67   8.076   9.523   7.457
  526    H    ASP  68           HN       ASP  68   8.255   7.639   5.298
  527    HA   ASP  68           HA       ASP  68  10.741   8.680   4.218
  528    HB2  ASP  68           2HB      ASP  68  10.623   6.460   5.414
  529    HB3  ASP  68           1HB      ASP  68   9.707   5.848   4.040
  530    H    ARG  69           HN       ARG  69  10.302   9.869   2.511
  531    HA   ARG  69           HA       ARG  69   8.382   9.329   0.516
  532    HB2  ARG  69           2HB      ARG  69   9.627  11.040  -0.818
  533    HB3  ARG  69           1HB      ARG  69   9.168  11.569   0.794
  534    HG2  ARG  69           2HG      ARG  69  11.436  11.160   1.584
  535    HG3  ARG  69           1HG      ARG  69  11.901  10.604  -0.022
  536    HD2  ARG  69           2HD      ARG  69  11.612  12.764  -0.957
  537    HD3  ARG  69           1HD      ARG  69  10.774  13.348   0.482
  538    HE   ARG  69           HE       ARG  69  13.565  12.494   0.741
  539   HH11  ARG  69          1HH1      ARG  69  11.292  15.149   0.505
  540   HH12  ARG  69          2HH1      ARG  69  12.302  16.246   1.395
  541   HH21  ARG  69          1HH2      ARG  69  14.907  13.957   1.844
  542   HH22  ARG  69          2HH2      ARG  69  14.342  15.576   2.158
  543    H    ALA  70           HN       ALA  70  11.680   8.242   0.927
  544    HA   ALA  70           HA       ALA  70  12.204   7.647  -1.796
  545    HB1  ALA  70           1HB      ALA  70  13.975   7.927  -0.134
  546    HB2  ALA  70           2HB      ALA  70  14.105   6.377  -0.967
  547    HB3  ALA  70           3HB      ALA  70  13.454   6.449   0.671
  548    H    GLY  71           HN       GLY  71  11.230   5.544   0.923
  549    HA2  GLY  71           2HA      GLY  71  10.961   3.202  -0.635
  550    HA3  GLY  71           1HA      GLY  71  10.193   3.493   0.923
  551    H    ALA  72           HN       ALA  72   8.768   5.809   0.138
  552    HA   ALA  72           HA       ALA  72   6.401   4.739  -0.895
  553    HB1  ALA  72           1HB      ALA  72   6.452   6.752   0.478
  554    HB2  ALA  72           2HB      ALA  72   5.637   7.059  -1.056
  555    HB3  ALA  72           3HB      ALA  72   7.290   7.621  -0.806
  556    H    ARG  73           HN       ARG  73   8.861   6.799  -2.468
  557    HA   ARG  73           HA       ARG  73   7.647   6.941  -4.980
  558    HB2  ARG  73           2HB      ARG  73   9.553   8.361  -4.417
  559    HB3  ARG  73           1HB      ARG  73  10.603   6.950  -4.335
  560    HG2  ARG  73           2HG      ARG  73   9.961   6.514  -6.747
  561    HG3  ARG  73           1HG      ARG  73   9.274   8.133  -6.752
  562    HD2  ARG  73           2HD      ARG  73  11.411   9.114  -6.309
  563    HD3  ARG  73           1HD      ARG  73  12.136   7.527  -6.041
  564    HE   ARG  73           HE       ARG  73  11.015   7.561  -8.604
  565   HH11  ARG  73          1HH1      ARG  73  13.647   9.120  -6.883
  566   HH12  ARG  73          2HH1      ARG  73  14.643   9.252  -8.302
  567   HH21  ARG  73          1HH2      ARG  73  12.299   7.755 -10.438
  568   HH22  ARG  73          2HH2      ARG  73  13.866   8.495 -10.336
  569    H    GLN  74           HN       GLN  74  10.052   4.639  -3.751
  570    HA   GLN  74           HA       GLN  74  10.448   3.185  -6.093
  571    HB2  GLN  74           2HB      GLN  74  10.518   2.187  -3.238
  572    HB3  GLN  74           1HB      GLN  74  11.182   1.329  -4.621
  573    HG2  GLN  74           2HG      GLN  74  12.760   3.153  -4.997
  574    HG3  GLN  74           1HG      GLN  74  12.091   4.016  -3.613
  575   HE21  GLN  74          1HE2      GLN  74  14.801   3.075  -4.078
  576   HE22  GLN  74          2HE2      GLN  74  15.187   2.007  -2.773
  577    H    ALA  75           HN       ALA  75   8.073   2.682  -3.518
  578    HA   ALA  75           HA       ALA  75   6.932   0.337  -4.620
  579    HB1  ALA  75           1HB      ALA  75   6.734   0.975  -2.262
  580    HB2  ALA  75           2HB      ALA  75   5.163   0.669  -3.002
  581    HB3  ALA  75           3HB      ALA  75   5.703   2.326  -2.726
  582    H    TRP  76           HN       TRP  76   5.969   3.762  -4.788
  583    HA   TRP  76           HA       TRP  76   3.510   3.222  -6.074
  584    HB2  TRP  76           2HB      TRP  76   5.095   5.751  -5.698
  585    HB3  TRP  76           1HB      TRP  76   3.580   5.724  -6.598
  586    HD1  TRP  76           1HD      TRP  76   2.161   3.568  -4.579
  587    HE1  TRP  76           1HE      TRP  76   1.285   4.439  -2.323
  588    HE3  TRP  76           3HE      TRP  76   4.922   7.859  -4.241
  589    HZ2  TRP  76           2HZ      TRP  76   1.708   6.638  -0.622
  590    HZ3  TRP  76           3HZ      TRP  76   4.620   9.297  -2.263
  591    HH2  TRP  76           2HH      TRP  76   3.046   8.697  -0.495
  592    H    GLU  77           HN       GLU  77   6.710   4.075  -7.345
  593    HA   GLU  77           HA       GLU  77   5.919   4.376 -10.035
  594    HB2  GLU  77           2HB      GLU  77   8.534   3.401  -8.882
  595    HB3  GLU  77           1HB      GLU  77   8.286   3.778 -10.579
  596    HG2  GLU  77           2HG      GLU  77   7.761   6.103  -9.958
  597    HG3  GLU  77           1HG      GLU  77   8.088   5.702  -8.272
  598    H    SER  78           HN       SER  78   6.780   1.555  -8.118
  599    HA   SER  78           HA       SER  78   6.795  -0.285 -10.295
  600    HB2  SER  78           2HB      SER  78   7.981  -0.671  -8.133
  601    HB3  SER  78           1HB      SER  78   6.416  -0.861  -7.343
  602    HG   SER  78           HG       SER  78   7.517  -2.485  -9.404
  603    H    GLY  79           HN       GLY  79   4.408   0.576  -7.809
  604    HA2  GLY  79           2HA      GLY  79   2.393  -1.226  -8.652
  605    HA3  GLY  79           1HA      GLY  79   2.141   0.225  -7.692
  606    H    LEU  80           HN       LEU  80   3.211   2.057  -9.629
  607    HA   LEU  80           HA       LEU  80   0.903   2.603 -11.141
  608    HB2  LEU  80           2HB      LEU  80   3.010   4.068 -10.447
  609    HB3  LEU  80           1HB      LEU  80   3.550   3.619 -12.047
  610    HG   LEU  80           HG       LEU  80   1.491   4.585 -13.010
  611   HD11  LEU  80          1HD1      LEU  80   0.027   4.309 -11.081
  612   HD12  LEU  80          2HD1      LEU  80   0.051   5.986 -11.624
  613   HD13  LEU  80          3HD1      LEU  80   0.962   5.509 -10.189
  614   HD21  LEU  80          3HD2      LEU  80   2.080   6.940 -12.632
  615   HD22  LEU  80          1HD2      LEU  80   3.504   5.936 -12.904
  616   HD23  LEU  80          2HD2      LEU  80   3.093   6.458 -11.271
  617    H    ALA  81           HN       ALA  81   4.044   1.273 -12.060
  618    HA   ALA  81           HA       ALA  81   3.462   0.799 -14.779
  619    HB1  ALA  81           1HB      ALA  81   5.377  -0.692 -14.759
  620    HB2  ALA  81           2HB      ALA  81   5.351  -0.740 -12.997
  621    HB3  ALA  81           3HB      ALA  81   5.739   0.765 -13.831
  622    H    ALA  82           HN       ALA  82   2.821  -1.121 -11.894
  623    HA   ALA  82           HA       ALA  82   1.913  -3.436 -13.247
  624    HB1  ALA  82           1HB      ALA  82   0.819  -4.021 -11.135
  625    HB2  ALA  82           2HB      ALA  82   1.100  -2.389 -10.531
  626    HB3  ALA  82           3HB      ALA  82   2.467  -3.454 -10.863
  627    H    ALA  83           HN       ALA  83   0.307  -0.509 -12.109
  628    HA   ALA  83           HA       ALA  83  -2.305  -1.229 -12.949
  629    HB1  ALA  83           1HB      ALA  83  -1.908   0.489 -11.264
  630    HB2  ALA  83           2HB      ALA  83  -2.856   1.127 -12.609
  631    HB3  ALA  83           3HB      ALA  83  -1.139   1.512 -12.477
  632    H    GLN  84           HN       GLN  84   0.353   0.537 -14.486
  633    HA   GLN  84           HA       GLN  84  -0.945   1.250 -16.870
  634    HB2  GLN  84           2HB      GLN  84   1.927   0.610 -16.226
  635    HB3  GLN  84           1HB      GLN  84   1.420   1.128 -17.822
  636    HG2  GLN  84           2HG      GLN  84   1.002   2.706 -15.300
  637    HG3  GLN  84           1HG      GLN  84   2.343   2.934 -16.419
  638   HE21  GLN  84          1HE2      GLN  84  -1.043   3.371 -15.888
  639   HE22  GLN  84          2HE2      GLN  84  -1.324   4.419 -17.233
  640    H    SER  85           HN       SER  85   0.916  -1.638 -16.002
  641    HA   SER  85           HA       SER  85   0.631  -3.033 -18.409
  642    HB2  SER  85           2HB      SER  85   2.137  -3.649 -16.486
  643    HB3  SER  85           1HB      SER  85   0.716  -4.263 -15.645
  644    HG   SER  85           HG       SER  85   1.468  -5.159 -18.227
  645    H    ARG  86           HN       ARG  86  -1.507  -2.861 -15.608
  646    HA   ARG  86           HA       ARG  86  -3.453  -4.676 -16.610
  647    HB2  ARG  86           2HB      ARG  86  -3.314  -2.682 -14.383
  648    HB3  ARG  86           1HB      ARG  86  -4.839  -3.458 -14.782
  649    HG2  ARG  86           2HG      ARG  86  -2.389  -5.089 -14.295
  650    HG3  ARG  86           1HG      ARG  86  -3.361  -4.479 -12.953
  651    HD2  ARG  86           2HD      ARG  86  -4.310  -6.212 -15.226
  652    HD3  ARG  86           1HD      ARG  86  -4.082  -6.696 -13.549
  653    HE   ARG  86           HE       ARG  86  -5.961  -4.517 -14.122
  654   HH11  ARG  86          1HH1      ARG  86  -5.487  -7.864 -13.167
  655   HH12  ARG  86          2HH1      ARG  86  -7.099  -8.040 -12.543
  656   HH21  ARG  86          1HH2      ARG  86  -8.045  -4.742 -13.329
  657   HH22  ARG  86          2HH2      ARG  86  -8.573  -6.249 -12.641
  658    H    GLY  87           HN       GLY  87  -2.732  -1.435 -17.375
  659    HA2  GLY  87           2HA      GLY  87  -3.854   0.193 -18.553
  660    HA3  GLY  87           1HA      GLY  87  -4.936  -1.079 -19.097
  661    H    ASP  88           HN       ASP  88  -4.519  -0.471 -15.728
  662    HA   ASP  88           HA       ASP  88  -7.341   0.221 -15.559
  663    HB2  ASP  88           2HB      ASP  88  -5.393  -0.976 -13.643
  664    HB3  ASP  88           1HB      ASP  88  -6.751  -0.062 -12.991
  665    H    GLN  89           HN       GLN  89  -7.247   2.275 -16.223
  666    HA   GLN  89           HA       GLN  89  -5.563   4.306 -15.459
  667    HB2  GLN  89           2HB      GLN  89  -8.461   4.355 -16.266
  668    HB3  GLN  89           1HB      GLN  89  -7.491   5.801 -16.082
  669    HG2  GLN  89           2HG      GLN  89  -6.840   3.550 -17.957
  670    HG3  GLN  89           1HG      GLN  89  -7.690   5.025 -18.417
  671   HE21  GLN  89          1HE2      GLN  89  -4.648   3.630 -17.516
  672   HE22  GLN  89          2HE2      GLN  89  -3.664   4.998 -17.918
  673    H    GLN  90           HN       GLN  90  -8.530   3.241 -13.839
  674    HA   GLN  90           HA       GLN  90  -8.809   5.337 -12.033
  675    HB2  GLN  90           2HB      GLN  90 -10.487   3.555 -12.353
  676    HB3  GLN  90           1HB      GLN  90  -9.419   2.415 -11.544
  677    HG2  GLN  90           2HG      GLN  90  -9.523   3.881  -9.523
  678    HG3  GLN  90           1HG      GLN  90 -10.761   4.826 -10.350
  679   HE21  GLN  90          1HE2      GLN  90 -10.921   3.285  -7.886
  680   HE22  GLN  90          2HE2      GLN  90 -12.183   2.124  -8.116
  681    H    VAL  91           HN       VAL  91  -6.855   2.396 -11.767
  682    HA   VAL  91           HA       VAL  91  -6.020   2.928  -9.084
  683    HB   VAL  91           HB       VAL  91  -4.704   1.110 -11.117
  684   HG11  VAL  91          1HG1      VAL  91  -3.270   1.592  -9.211
  685   HG12  VAL  91          2HG1      VAL  91  -3.839  -0.076  -9.146
  686   HG13  VAL  91          3HG1      VAL  91  -4.566   1.146  -8.101
  687   HG21  VAL  91          3HG2      VAL  91  -7.035   0.493 -10.867
  688   HG22  VAL  91          1HG2      VAL  91  -6.878   0.510  -9.111
  689   HG23  VAL  91          2HG2      VAL  91  -6.014  -0.699 -10.060
  690    H    VAL  92           HN       VAL  92  -4.699   3.495 -12.287
  691    HA   VAL  92           HA       VAL  92  -2.156   4.426 -11.606
  692    HB   VAL  92           HB       VAL  92  -3.916   5.382 -13.881
  693   HG11  VAL  92          1HG1      VAL  92  -1.815   6.016 -14.975
  694   HG12  VAL  92          2HG1      VAL  92  -0.919   5.536 -13.532
  695   HG13  VAL  92          3HG1      VAL  92  -2.045   6.893 -13.462
  696   HG21  VAL  92          3HG2      VAL  92  -1.882   3.160 -13.773
  697   HG22  VAL  92          1HG2      VAL  92  -2.695   3.733 -15.230
  698   HG23  VAL  92          2HG2      VAL  92  -3.628   2.980 -13.938
  699    H    LYS  93           HN       LYS  93  -5.220   6.189 -11.954
  700    HA   LYS  93           HA       LYS  93  -4.174   8.741 -11.430
  701    HB2  LYS  93           2HB      LYS  93  -6.970   7.673 -11.056
  702    HB3  LYS  93           1HB      LYS  93  -6.533   9.367 -10.878
  703    HG2  LYS  93           2HG      LYS  93  -5.648   9.237 -13.252
  704    HG3  LYS  93           1HG      LYS  93  -6.482   7.684 -13.360
  705    HD2  LYS  93           2HD      LYS  93  -7.754  10.334 -12.681
  706    HD3  LYS  93           1HD      LYS  93  -7.867   9.504 -14.233
  707    HE2  LYS  93           2HE      LYS  93  -9.091   7.699 -13.262
  708    HE3  LYS  93           1HE      LYS  93  -8.805   8.309 -11.632
  709    HZ1  LYS  93           3HZ      LYS  93 -11.052   8.790 -12.538
  710    HZ2  LYS  93           1HZ      LYS  93 -10.331   9.793 -13.701
  711    HZ3  LYS  93           2HZ      LYS  93 -10.198  10.171 -12.051
  712    H    GLU  94           HN       GLU  94  -5.644   6.353  -9.222
  713    HA   GLU  94           HA       GLU  94  -5.649   7.928  -6.932
  714    HB2  GLU  94           2HB      GLU  94  -5.494   4.982  -7.439
  715    HB3  GLU  94           1HB      GLU  94  -5.467   5.620  -5.800
  716    HG2  GLU  94           2HG      GLU  94  -7.601   6.372  -7.757
  717    HG3  GLU  94           1HG      GLU  94  -7.709   4.926  -6.764
  718    H    LEU  95           HN       LEU  95  -3.149   5.677  -8.089
  719    HA   LEU  95           HA       LEU  95  -1.347   6.255  -5.965
  720    HB2  LEU  95           2HB      LEU  95  -1.030   4.922  -8.639
  721    HB3  LEU  95           1HB      LEU  95   0.332   5.168  -7.562
  722    HG   LEU  95           HG       LEU  95  -2.155   3.596  -6.840
  723   HD11  LEU  95          1HD1      LEU  95   0.592   2.633  -7.641
  724   HD12  LEU  95          2HD1      LEU  95  -0.883   2.473  -8.592
  725   HD13  LEU  95          3HD1      LEU  95  -0.730   1.623  -7.054
  726   HD21  LEU  95          3HD2      LEU  95   0.489   3.944  -5.437
  727   HD22  LEU  95          1HD2      LEU  95  -0.811   2.865  -4.933
  728   HD23  LEU  95          2HD2      LEU  95  -1.063   4.609  -4.927
  729    H    GLN  96           HN       GLN  96  -1.890   7.590  -9.154
  730    HA   GLN  96           HA       GLN  96   0.424   9.143  -9.422
  731    HB2  GLN  96           2HB      GLN  96  -1.143   8.827 -11.264
  732    HB3  GLN  96           1HB      GLN  96  -2.385   9.710 -10.388
  733    HG2  GLN  96           2HG      GLN  96  -0.948  11.726 -10.477
  734    HG3  GLN  96           1HG      GLN  96   0.192  10.820 -11.477
  735   HE21  GLN  96          1HE2      GLN  96  -0.349  10.307 -13.583
  736   HE22  GLN  96          2HE2      GLN  96  -1.673  11.065 -14.403
  737    H    VAL  97           HN       VAL  97  -2.603   9.784  -7.725
  738    HA   VAL  97           HA       VAL  97  -2.245  12.521  -7.230
  739    HB   VAL  97           HB       VAL  97  -3.698  10.466  -5.544
  740   HG11  VAL  97          1HG1      VAL  97  -4.903  12.360  -4.564
  741   HG12  VAL  97          2HG1      VAL  97  -3.877  13.478  -5.462
  742   HG13  VAL  97          3HG1      VAL  97  -3.176  12.446  -4.216
  743   HG21  VAL  97          3HG2      VAL  97  -5.708  11.318  -6.646
  744   HG22  VAL  97          1HG2      VAL  97  -4.564  10.671  -7.821
  745   HG23  VAL  97          2HG2      VAL  97  -4.720  12.415  -7.611
  746    H    PHE  98           HN       PHE  98  -1.117   9.674  -5.482
  747    HA   PHE  98           HA       PHE  98  -0.107  11.048  -3.238
  748    HB2  PHE  98           2HB      PHE  98   0.621   8.374  -4.429
  749    HB3  PHE  98           1HB      PHE  98   1.306   8.977  -2.923
  750    HD1  PHE  98           1HD      PHE  98  -0.328   9.576  -1.050
  751    HD2  PHE  98           2HD      PHE  98  -1.390   7.215  -4.426
  752    HE1  PHE  98           1HE      PHE  98  -2.244   8.666   0.196
  753    HE2  PHE  98           2HE      PHE  98  -3.309   6.304  -3.186
  754    HZ   PHE  98           HZ       PHE  98  -3.739   7.027  -0.876
  755    H    LEU  99           HN       LEU  99   1.360  10.139  -6.316
  756    HA   LEU  99           HA       LEU  99   3.990  10.948  -5.674
  757    HB2  LEU  99           2HB      LEU  99   2.593  10.759  -8.341
  758    HB3  LEU  99           1HB      LEU  99   4.317  11.007  -8.141
  759    HG   LEU  99           HG       LEU  99   2.822   8.572  -7.159
  760   HD11  LEU  99          1HD1      LEU  99   3.864   7.408  -9.028
  761   HD12  LEU  99          2HD1      LEU  99   4.573   8.925  -9.586
  762   HD13  LEU  99          3HD1      LEU  99   2.823   8.712  -9.600
  763   HD21  LEU  99          3HD2      LEU  99   5.773   9.164  -7.377
  764   HD22  LEU  99          1HD2      LEU  99   5.058   7.635  -6.867
  765   HD23  LEU  99          2HD2      LEU  99   4.843   9.082  -5.880
  766    H    ARG 100           HN       ARG 100   1.210  12.683  -6.937
  767    HA   ARG 100           HA       ARG 100   2.664  15.058  -7.633
  768    HB2  ARG 100           2HB      ARG 100  -0.298  14.826  -7.105
  769    HB3  ARG 100           1HB      ARG 100   0.526  15.995  -8.123
  770    HG2  ARG 100           2HG      ARG 100   0.965  13.207  -8.874
  771    HG3  ARG 100           1HG      ARG 100  -0.701  13.760  -9.000
  772    HD2  ARG 100           2HD      ARG 100   1.531  15.393 -10.145
  773    HD3  ARG 100           1HD      ARG 100   0.910  14.001 -11.031
  774    HE   ARG 100           HE       ARG 100  -1.121  15.851 -10.152
  775   HH11  ARG 100          1HH1      ARG 100   1.168  15.107 -12.706
  776   HH12  ARG 100          2HH1      ARG 100   0.207  15.851 -13.954
  777   HH21  ARG 100          1HH2      ARG 100  -2.366  16.864 -11.796
  778   HH22  ARG 100          2HH2      ARG 100  -1.772  16.894 -13.430
  779    H    ARG 101           HN       ARG 101   0.434  14.128  -5.055
  780    HA   ARG 101           HA       ARG 101   0.634  16.442  -3.495
  781    HB2  ARG 101           2HB      ARG 101  -1.074  14.852  -2.988
  782    HB3  ARG 101           1HB      ARG 101   0.106  13.578  -2.710
  783    HG2  ARG 101           2HG      ARG 101   0.920  14.769  -0.731
  784    HG3  ARG 101           1HG      ARG 101  -0.272  16.039  -1.010
  785    HD2  ARG 101           2HD      ARG 101  -2.070  14.598  -0.535
  786    HD3  ARG 101           1HD      ARG 101  -1.056  13.160  -0.662
  787    HE   ARG 101           HE       ARG 101   0.084  14.487   1.383
  788   HH11  ARG 101          1HH1      ARG 101  -3.280  13.722   0.752
  789   HH12  ARG 101          2HH1      ARG 101  -3.667  13.487   2.434
  790   HH21  ARG 101          1HH2      ARG 101  -0.411  14.200   3.564
  791   HH22  ARG 101          2HH2      ARG 101  -2.027  13.741   4.041
  792    H    LEU 102           HN       LEU 102   2.665  13.539  -3.526
  793    HA   LEU 102           HA       LEU 102   4.239  14.093  -1.296
  794    HB2  LEU 102           2HB      LEU 102   4.234  11.949  -2.530
  795    HB3  LEU 102           1HB      LEU 102   5.073  12.725  -3.858
  796    HG   LEU 102           HG       LEU 102   6.984  13.172  -2.326
  797   HD11  LEU 102          1HD1      LEU 102   7.096  11.918  -0.218
  798   HD12  LEU 102          2HD1      LEU 102   5.417  11.423  -0.437
  799   HD13  LEU 102          3HD1      LEU 102   5.812  13.126  -0.202
  800   HD21  LEU 102          3HD2      LEU 102   7.008  11.260  -3.833
  801   HD22  LEU 102          1HD2      LEU 102   6.165  10.287  -2.628
  802   HD23  LEU 102          2HD2      LEU 102   7.801  10.861  -2.309
  803    H    ALA 103           HN       ALA 103   4.513  15.196  -4.626
  804    HA   ALA 103           HA       ALA 103   7.029  16.443  -4.382
  805    HB1  ALA 103           1HB      ALA 103   4.795  17.117  -6.294
  806    HB2  ALA 103           2HB      ALA 103   6.017  15.869  -6.541
  807    HB3  ALA 103           3HB      ALA 103   6.494  17.565  -6.468
  808    H    ARG 104           HN       ARG 104   3.776  17.539  -3.664
  809    HA   ARG 104           HA       ARG 104   4.377  20.275  -3.274
  810    HB2  ARG 104           2HB      ARG 104   2.253  18.512  -2.045
  811    HB3  ARG 104           1HB      ARG 104   2.361  20.238  -1.748
  812    HG2  ARG 104           2HG      ARG 104   2.042  20.655  -4.141
  813    HG3  ARG 104           1HG      ARG 104   1.878  18.915  -4.401
  814    HD2  ARG 104           2HD      ARG 104  -0.071  18.820  -3.019
  815    HD3  ARG 104           1HD      ARG 104   0.151  20.491  -2.505
  816    HE   ARG 104           HE       ARG 104  -0.231  20.110  -5.348
  817   HH11  ARG 104          1HH1      ARG 104  -1.711  20.761  -2.249
  818   HH12  ARG 104          2HH1      ARG 104  -3.143  21.463  -2.929
  819   HH21  ARG 104          1HH2      ARG 104  -2.079  21.035  -6.258
  820   HH22  ARG 104          2HH2      ARG 104  -3.353  21.633  -5.234
  821    H    GLU 105           HN       GLU 105   4.257  17.515  -1.079
  822    HA   GLU 105           HA       GLU 105   4.962  18.863   1.277
  823    HB2  GLU 105           2HB      GLU 105   5.592  15.988   0.642
  824    HB3  GLU 105           1HB      GLU 105   5.234  16.699   2.199
  825    HG2  GLU 105           2HG      GLU 105   3.298  16.303  -0.061
  826    HG3  GLU 105           1HG      GLU 105   3.381  15.366   1.426
  827    H    ASP 106           HN       ASP 106   6.807  17.073  -1.114
  828    HA   ASP 106           HA       ASP 106   9.346  17.201   0.042
  829    HB2  ASP 106           2HB      ASP 106   8.619  15.795  -1.899
  830    HB3  ASP 106           1HB      ASP 106   8.684  17.233  -2.902
  831    H    ALA 107           HN       ALA 107   7.686  19.377  -2.153
  832    HA   ALA 107           HA       ALA 107   9.786  21.189  -2.607
  833    HB1  ALA 107           1HB      ALA 107   6.828  21.760  -2.619
  834    HB2  ALA 107           2HB      ALA 107   7.756  21.116  -3.974
  835    HB3  ALA 107           3HB      ALA 107   8.086  22.741  -3.373
  836    H    LEU 108           HN       LEU 108   7.534  20.874   0.059
  837    HA   LEU 108           HA       LEU 108   7.796  23.401   1.226
  838    HB2  LEU 108           2HB      LEU 108   7.409  20.711   2.539
  839    HB3  LEU 108           1HB      LEU 108   7.197  22.250   3.335
  840    HG   LEU 108           HG       LEU 108   5.577  21.373   0.969
  841   HD11  LEU 108          1HD1      LEU 108   4.872  21.304   3.898
  842   HD12  LEU 108          2HD1      LEU 108   5.181  19.897   2.882
  843   HD13  LEU 108          3HD1      LEU 108   3.784  20.926   2.560
  844   HD21  LEU 108          3HD2      LEU 108   5.725  23.788   1.267
  845   HD22  LEU 108          1HD2      LEU 108   5.213  23.615   2.945
  846   HD23  LEU 108          2HD2      LEU 108   4.105  23.199   1.638
  847    H    GLU 109           HN       GLU 109   9.749  20.476   1.555
  848    HA   GLU 109           HA       GLU 109  11.556  21.747   3.405
  849    HB2  GLU 109           2HB      GLU 109  11.537  19.032   2.115
  850    HB3  GLU 109           1HB      GLU 109  12.749  19.565   3.278
  851    HG2  GLU 109           2HG      GLU 109   9.797  19.526   3.825
  852    HG3  GLU 109           1HG      GLU 109  10.906  18.231   4.247
  853    H    HIS 110           HN       HIS 110  11.188  22.337   0.354
  854    HA   HIS 110           HA       HIS 110  12.434  23.120  -1.366
  855    HB2  HIS 110           2HB      HIS 110  13.226  24.450   0.680
  856    HB3  HIS 110           1HB      HIS 110  14.642  23.422   0.653
  857    HD1  HIS 110           1HD      HIS 110  14.141  26.656   0.001
  858    HD2  HIS 110           2HD      HIS 110  15.358  23.604  -2.553
  859    HE1  HIS 110           1HE      HIS 110  15.338  27.788  -1.896
  860    HE2  HIS 110           2HE      HIS 110  15.891  25.941  -3.515
  861    H    HIS 111           HN       HIS 111  12.465  20.258  -0.911
  862    HA   HIS 111           HA       HIS 111  15.162  19.387  -1.467
  863    HB2  HIS 111           2HB      HIS 111  13.625  17.960  -0.187
  864    HB3  HIS 111           1HB      HIS 111  12.547  17.866  -1.574
  865    HD1  HIS 111           1HD      HIS 111  12.691  15.507  -2.289
  866    HD2  HIS 111           2HD      HIS 111  16.449  17.126  -1.518
  867    HE1  HIS 111           1HE      HIS 111  14.351  13.737  -2.978
  868    HE2  HIS 111           2HE      HIS 111  16.611  14.680  -2.366
  869    H    HIS 112           HN       HIS 112  12.125  18.948  -3.333
  870    HA   HIS 112           HA       HIS 112  11.589  19.523  -5.462
  871    HB2  HIS 112           2HB      HIS 112  12.656  21.677  -5.039
  872    HB3  HIS 112           1HB      HIS 112  14.232  21.001  -5.432
  873    HD1  HIS 112           1HD      HIS 112  14.853  20.806  -7.911
  874    HD2  HIS 112           2HD      HIS 112  10.971  22.159  -7.263
  875    HE1  HIS 112           1HE      HIS 112  14.036  21.628 -10.144
  876    HE2  HIS 112           2HE      HIS 112  11.776  22.645  -9.674
  877    H    HIS 113           HN       HIS 113  11.647  17.378  -6.136
  878    HA   HIS 113           HA       HIS 113  13.832  16.899  -8.043
  879    HB2  HIS 113           2HB      HIS 113  14.080  15.516  -5.911
  880    HB3  HIS 113           1HB      HIS 113  12.628  14.660  -6.417
  881    HD1  HIS 113           1HD      HIS 113  13.368  12.438  -7.267
  882    HD2  HIS 113           2HD      HIS 113  15.868  15.523  -8.542
  883    HE1  HIS 113           1HE      HIS 113  15.077  11.365  -8.772
  884    HE2  HIS 113           2HE      HIS 113  16.424  13.278  -9.705
  885    H    HIS 114           HN       HIS 114  10.496  16.361  -7.079
  886    HA   HIS 114           HA       HIS 114   8.602  15.893  -8.226
  887    HB2  HIS 114           2HB      HIS 114  10.325  16.932 -10.437
  888    HB3  HIS 114           1HB      HIS 114   8.804  16.148 -10.847
  889    HD1  HIS 114           1HD      HIS 114   6.623  17.371 -10.245
  890    HD2  HIS 114           2HD      HIS 114  10.076  19.432  -9.156
  891    HE1  HIS 114           1HE      HIS 114   5.874  19.707  -9.677
  892    HE2  HIS 114           2HE      HIS 114   7.952  20.901  -8.902
  893    H    HIS 115           HN       HIS 115  10.890  13.940  -7.871
  894    HA   HIS 115           HA       HIS 115   9.608  11.738  -9.255
  895    HB2  HIS 115           2HB      HIS 115  12.555  12.373  -9.547
  896    HB3  HIS 115           1HB      HIS 115  11.878  10.786  -9.876
  897    HD1  HIS 115           1HD      HIS 115  10.514  10.490 -12.043
  898    HD2  HIS 115           2HD      HIS 115  12.021  14.333 -11.486
  899    HE1  HIS 115           1HE      HIS 115  10.264  11.655 -14.264
  900    HE2  HIS 115           2HE      HIS 115  11.214  13.966 -13.921
  Start of MODEL   15
    1    H1   MET   1           H1       MET   1  -9.723  -8.805  23.591
    2    H2   MET   1           H2       MET   1  -8.205  -8.094  23.333
    3    H3   MET   1           H3       MET   1  -8.348  -9.782  23.422
    4    HA   MET   1           HA       MET   1  -8.072  -9.037  21.147
    5    HB2  MET   1           2HB      MET   1  -9.326 -11.085  21.545
    6    HB3  MET   1           1HB      MET   1 -10.802 -10.164  21.809
    7    HG2  MET   1           2HG      MET   1 -10.660  -9.359  19.470
    8    HG3  MET   1           1HG      MET   1  -9.268 -10.412  19.233
    9    HE1  MET   1           2HE      MET   1  -9.375 -13.044  19.210
   10    HE2  MET   1           3HE      MET   1 -10.826 -13.971  19.601
   11    HE3  MET   1           1HE      MET   1 -10.028 -13.012  20.848
   12    H    GLN   2           HN       GLN   2  -8.166  -7.271  19.981
   13    HA   GLN   2           HA       GLN   2 -10.787  -6.076  19.497
   14    HB2  GLN   2           2HB      GLN   2  -9.741  -4.595  21.156
   15    HB3  GLN   2           1HB      GLN   2  -8.317  -4.437  20.140
   16    HG2  GLN   2           2HG      GLN   2  -9.612  -3.300  18.449
   17    HG3  GLN   2           1HG      GLN   2 -11.091  -3.543  19.377
   18   HE21  GLN   2          1HE2      GLN   2  -8.120  -1.770  19.119
   19   HE22  GLN   2          2HE2      GLN   2  -8.514  -0.546  20.276
   20    H    ALA   3           HN       ALA   3 -10.894  -5.047  17.440
   21    HA   ALA   3           HA       ALA   3 -10.492  -4.844  15.215
   22    HB1  ALA   3           1HB      ALA   3  -7.611  -5.470  15.849
   23    HB2  ALA   3           2HB      ALA   3  -8.325  -3.858  15.843
   24    HB3  ALA   3           3HB      ALA   3  -8.236  -4.788  14.347
   25    H    ILE   4           HN       ILE   4  -9.826  -6.081  13.327
   26    HA   ILE   4           HA       ILE   4 -10.947  -8.682  13.586
   27    HB   ILE   4           HB       ILE   4  -9.723  -7.276  11.220
   28   HG12  ILE   4          2HG1      ILE   4 -12.612  -7.570  12.043
   29   HG13  ILE   4          1HG1      ILE   4 -11.650  -6.116  12.249
   30   HG21  ILE   4          1HG2      ILE   4 -10.998  -8.859   9.842
   31   HG22  ILE   4          2HG2      ILE   4 -11.511  -9.704  11.301
   32   HG23  ILE   4          3HG2      ILE   4  -9.807  -9.686  10.847
   33   HD11  ILE   4          3HD1      ILE   4 -12.428  -7.387   9.640
   34   HD12  ILE   4          1HD1      ILE   4 -11.390  -5.973   9.807
   35   HD13  ILE   4          2HD1      ILE   4 -13.076  -5.897  10.326
   36    H    THR   5           HN       THR   5  -7.723  -7.469  13.598
   37    HA   THR   5           HA       THR   5  -6.297  -9.521  12.375
   38    HB   THR   5           HB       THR   5  -4.468  -8.763  14.110
   39    HG1  THR   5           1HG      THR   5  -4.994  -7.068  15.296
   40   HG21  THR   5          3HG2      THR   5  -5.604  -6.935  11.993
   41   HG22  THR   5          1HG2      THR   5  -4.438  -8.232  11.734
   42   HG23  THR   5          2HG2      THR   5  -3.987  -6.820  12.688
   43    H    GLU   6           HN       GLU   6  -7.100  -9.161  15.833
   44    HA   GLU   6           HA       GLU   6  -5.633 -11.408  16.669
   45    HB2  GLU   6           2HB      GLU   6  -7.903  -9.917  17.972
   46    HB3  GLU   6           1HB      GLU   6  -7.031 -11.227  18.758
   47    HG2  GLU   6           2HG      GLU   6  -4.938  -9.948  18.468
   48    HG3  GLU   6           1HG      GLU   6  -5.885  -8.615  17.806
   49    H    ARG   7           HN       ARG   7  -9.028 -11.078  15.728
   50    HA   ARG   7           HA       ARG   7  -9.647 -13.772  16.458
   51    HB2  ARG   7           2HB      ARG   7 -11.768 -13.410  15.223
   52    HB3  ARG   7           1HB      ARG   7 -11.448 -12.193  16.450
   53    HG2  ARG   7           2HG      ARG   7 -10.661 -10.664  14.680
   54    HG3  ARG   7           1HG      ARG   7 -11.087 -11.884  13.478
   55    HD2  ARG   7           2HD      ARG   7 -12.852 -10.222  13.679
   56    HD3  ARG   7           1HD      ARG   7 -13.418 -11.803  14.216
   57    HE   ARG   7           HE       ARG   7 -12.723  -9.550  15.989
   58   HH11  ARG   7          1HH1      ARG   7 -14.345 -12.597  15.420
   59   HH12  ARG   7          2HH1      ARG   7 -15.294 -12.512  16.876
   60   HH21  ARG   7          1HH2      ARG   7 -13.962  -9.436  17.916
   61   HH22  ARG   7          2HH2      ARG   7 -15.075 -10.724  18.283
   62    H    LEU   8           HN       LEU   8  -8.539 -12.183  13.532
   63    HA   LEU   8           HA       LEU   8  -8.896 -14.394  11.804
   64    HB2  LEU   8           2HB      LEU   8  -7.012 -12.051  11.683
   65    HB3  LEU   8           1HB      LEU   8  -7.064 -13.287  10.441
   66    HG   LEU   8           HG       LEU   8  -9.274 -11.380  11.198
   67   HD11  LEU   8          1HD1      LEU   8  -7.721 -11.754   8.642
   68   HD12  LEU   8          2HD1      LEU   8  -7.501 -10.442   9.799
   69   HD13  LEU   8          3HD1      LEU   8  -9.018 -10.590   8.910
   70   HD21  LEU   8          3HD2      LEU   8  -9.317 -13.653   9.216
   71   HD22  LEU   8          1HD2      LEU   8 -10.577 -12.437   9.415
   72   HD23  LEU   8          2HD2      LEU   8 -10.230 -13.567  10.723
   73    H    GLU   9           HN       GLU   9  -6.292 -13.457  13.993
   74    HA   GLU   9           HA       GLU   9  -4.324 -15.261  13.284
   75    HB2  GLU   9           2HB      GLU   9  -5.178 -14.387  16.045
   76    HB3  GLU   9           1HB      GLU   9  -3.689 -15.256  15.702
   77    HG2  GLU   9           2HG      GLU   9  -4.376 -12.601  14.476
   78    HG3  GLU   9           1HG      GLU   9  -3.469 -12.777  15.978
   79    H    ALA  10           HN       ALA  10  -7.194 -15.802  15.280
   80    HA   ALA  10           HA       ALA  10  -6.632 -18.542  15.830
   81    HB1  ALA  10           1HB      ALA  10  -8.971 -18.637  16.589
   82    HB2  ALA  10           2HB      ALA  10  -9.228 -17.013  15.950
   83    HB3  ALA  10           3HB      ALA  10  -8.095 -17.268  17.278
   84    H    MET  11           HN       MET  11  -8.472 -16.848  13.343
   85    HA   MET  11           HA       MET  11  -9.729 -19.143  12.262
   86    HB2  MET  11           2HB      MET  11  -9.231 -16.385  11.145
   87    HB3  MET  11           1HB      MET  11 -10.152 -17.616  10.294
   88    HG2  MET  11           2HG      MET  11 -11.750 -17.704  12.138
   89    HG3  MET  11           1HG      MET  11 -10.826 -16.476  12.998
   90    HE1  MET  11           3HE      MET  11 -12.994 -15.701   8.999
   91    HE2  MET  11           1HE      MET  11 -12.981 -17.262   9.818
   92    HE3  MET  11           2HE      MET  11 -11.493 -16.618   9.124
   93    H    LEU  12           HN       LEU  12  -6.776 -17.374  11.374
   94    HA   LEU  12           HA       LEU  12  -6.146 -18.927   9.101
   95    HB2  LEU  12           2HB      LEU  12  -4.638 -17.089  10.892
   96    HB3  LEU  12           1HB      LEU  12  -3.703 -18.171   9.881
   97    HG   LEU  12           HG       LEU  12  -3.921 -16.022   8.798
   98   HD11  LEU  12          1HD1      LEU  12  -4.924 -16.732   6.669
   99   HD12  LEU  12          2HD1      LEU  12  -5.606 -18.142   7.478
  100   HD13  LEU  12          3HD1      LEU  12  -3.856 -17.957   7.356
  101   HD21  LEU  12          3HD2      LEU  12  -6.087 -15.127   8.111
  102   HD22  LEU  12          1HD2      LEU  12  -5.986 -15.267   9.867
  103   HD23  LEU  12          2HD2      LEU  12  -6.903 -16.454   8.940
  104    H    ALA  13           HN       ALA  13  -5.720 -19.448  12.509
  105    HA   ALA  13           HA       ALA  13  -3.816 -21.575  12.233
  106    HB1  ALA  13           1HB      ALA  13  -4.129 -21.918  14.614
  107    HB2  ALA  13           2HB      ALA  13  -5.534 -20.852  14.601
  108    HB3  ALA  13           3HB      ALA  13  -3.930 -20.202  14.263
  109    H    GLN  14           HN       GLN  14  -7.083 -21.376  11.592
  110    HA   GLN  14           HA       GLN  14  -7.709 -24.114  12.362
  111    HB2  GLN  14           2HB      GLN  14  -9.394 -22.097  10.868
  112    HB3  GLN  14           1HB      GLN  14  -9.948 -23.641  11.497
  113    HG2  GLN  14           2HG      GLN  14  -8.992 -21.287  13.105
  114    HG3  GLN  14           1HG      GLN  14 -10.652 -21.852  12.942
  115   HE21  GLN  14          1HE2      GLN  14  -8.988 -21.509  15.305
  116   HE22  GLN  14          2HE2      GLN  14  -8.955 -23.052  16.097
  117    H    GLY  15           HN       GLY  15  -6.219 -22.593   9.801
  118    HA2  GLY  15           2HA      GLY  15  -5.372 -23.624   7.889
  119    HA3  GLY  15           1HA      GLY  15  -6.461 -24.977   8.164
  120    H    THR  16           HN       THR  16  -7.483 -21.628   8.071
  121    HA   THR  16           HA       THR  16  -9.081 -22.247   5.697
  122    HB   THR  16           HB       THR  16  -9.448 -19.834   7.471
  123    HG1  THR  16           1HG      THR  16 -10.874 -22.292   7.733
  124   HG21  THR  16          3HG2      THR  16 -11.329 -21.361   5.659
  125   HG22  THR  16          1HG2      THR  16 -10.571 -19.812   5.284
  126   HG23  THR  16          2HG2      THR  16 -11.741 -19.927   6.601
  127    H    ASP  17           HN       ASP  17  -7.222 -21.990   4.351
  128    HA   ASP  17           HA       ASP  17  -5.807 -19.502   4.263
  129    HB2  ASP  17           2HB      ASP  17  -4.560 -20.469   2.446
  130    HB3  ASP  17           1HB      ASP  17  -4.778 -21.702   3.682
  131    H    ASN  18           HN       ASN  18  -6.364 -17.727   3.230
  132    HA   ASN  18           HA       ASN  18  -7.718 -17.899   0.655
  133    HB2  ASN  18           2HB      ASN  18  -8.730 -16.136   2.896
  134    HB3  ASN  18           1HB      ASN  18  -9.255 -16.029   1.228
  135   HD21  ASN  18          1HD2      ASN  18  -9.438 -17.845   4.179
  136   HD22  ASN  18          2HD2      ASN  18 -10.765 -18.848   3.708
  137    H    MET  19           HN       MET  19  -7.413 -16.039  -0.621
  138    HA   MET  19           HA       MET  19  -4.978 -14.593  -0.015
  139    HB2  MET  19           2HB      MET  19  -5.540 -15.448  -2.317
  140    HB3  MET  19           1HB      MET  19  -6.835 -14.264  -2.383
  141    HG2  MET  19           2HG      MET  19  -3.965 -13.500  -1.948
  142    HG3  MET  19           1HG      MET  19  -4.667 -13.676  -3.550
  143    HE1  MET  19           3HE      MET  19  -4.315  -9.792  -3.115
  144    HE2  MET  19           1HE      MET  19  -3.832 -11.206  -4.053
  145    HE3  MET  19           2HE      MET  19  -3.231 -10.990  -2.406
  146    H    LEU  20           HN       LEU  20  -8.406 -13.941  -0.517
  147    HA   LEU  20           HA       LEU  20  -8.184 -11.146   0.135
  148    HB2  LEU  20           2HB      LEU  20 -10.591 -12.934  -0.206
  149    HB3  LEU  20           1HB      LEU  20 -10.661 -11.194  -0.005
  150    HG   LEU  20           HG       LEU  20  -9.347 -12.630  -2.315
  151   HD11  LEU  20          1HD1      LEU  20 -11.928 -11.080  -2.179
  152   HD12  LEU  20          2HD1      LEU  20 -11.778 -12.829  -2.350
  153   HD13  LEU  20          3HD1      LEU  20 -11.204 -11.764  -3.634
  154   HD21  LEU  20          3HD2      LEU  20  -9.818  -9.692  -1.820
  155   HD22  LEU  20          1HD2      LEU  20  -9.182 -10.396  -3.307
  156   HD23  LEU  20          2HD2      LEU  20  -8.257 -10.513  -1.809
  157    H    LEU  21           HN       LEU  21  -7.399 -13.276   2.104
  158    HA   LEU  21           HA       LEU  21  -9.026 -12.283   4.349
  159    HB2  LEU  21           2HB      LEU  21  -9.047 -14.767   3.924
  160    HB3  LEU  21           1HB      LEU  21  -7.333 -14.781   4.294
  161    HG   LEU  21           HG       LEU  21  -7.817 -13.990   6.574
  162   HD11  LEU  21          1HD1      LEU  21 -10.115 -13.919   7.382
  163   HD12  LEU  21          2HD1      LEU  21 -10.706 -14.260   5.756
  164   HD13  LEU  21          3HD1      LEU  21  -9.862 -12.748   6.089
  165   HD21  LEU  21          3HD2      LEU  21  -9.393 -16.434   5.769
  166   HD22  LEU  21          1HD2      LEU  21  -8.846 -16.047   7.401
  167   HD23  LEU  21          2HD2      LEU  21  -7.668 -16.388   6.133
  168    H    ARG  22           HN       ARG  22  -5.859 -12.705   2.974
  169    HA   ARG  22           HA       ARG  22  -4.424 -11.928   5.334
  170    HB2  ARG  22           2HB      ARG  22  -3.624 -12.413   2.479
  171    HB3  ARG  22           1HB      ARG  22  -2.498 -11.695   3.622
  172    HG2  ARG  22           2HG      ARG  22  -2.789 -13.669   5.083
  173    HG3  ARG  22           1HG      ARG  22  -3.806 -14.397   3.837
  174    HD2  ARG  22           2HD      ARG  22  -1.988 -14.449   2.285
  175    HD3  ARG  22           1HD      ARG  22  -0.972 -13.488   3.359
  176    HE   ARG  22           HE       ARG  22  -1.598 -15.709   4.817
  177   HH11  ARG  22          1HH1      ARG  22  -0.079 -15.135   1.709
  178   HH12  ARG  22          2HH1      ARG  22   0.891 -16.569   1.781
  179   HH21  ARG  22          1HH2      ARG  22  -0.314 -17.607   4.902
  180   HH22  ARG  22          2HH2      ARG  22   0.781 -17.956   3.592
  181    H    PHE  23           HN       PHE  23  -5.767 -10.272   2.567
  182    HA   PHE  23           HA       PHE  23  -4.215  -7.917   2.839
  183    HB2  PHE  23           2HB      PHE  23  -5.488  -7.003   1.147
  184    HB3  PHE  23           1HB      PHE  23  -5.747  -8.715   0.854
  185    HD1  PHE  23           2HD      PHE  23  -7.898  -9.765   1.652
  186    HD2  PHE  23           1HD      PHE  23  -7.273  -5.558   1.597
  187    HE1  PHE  23           2HE      PHE  23 -10.325  -9.407   1.775
  188    HE2  PHE  23           1HE      PHE  23  -9.705  -5.194   1.716
  189    HZ   PHE  23           HZ       PHE  23 -11.234  -7.122   1.807
  190    H    THR  24           HN       THR  24  -7.168  -9.055   4.320
  191    HA   THR  24           HA       THR  24  -8.012  -6.696   5.567
  192    HB   THR  24           HB       THR  24  -8.241  -9.460   6.770
  193    HG1  THR  24           1HG      THR  24 -10.374  -9.129   5.411
  194   HG21  THR  24          3HG2      THR  24  -9.043  -7.614   8.160
  195   HG22  THR  24          1HG2      THR  24 -10.388  -8.605   7.596
  196   HG23  THR  24          2HG2      THR  24 -10.062  -7.049   6.836
  197    H    LEU  25           HN       LEU  25  -5.720  -9.198   6.572
  198    HA   LEU  25           HA       LEU  25  -5.057  -8.092   9.089
  199    HB2  LEU  25           2HB      LEU  25  -3.520  -9.881   7.209
  200    HB3  LEU  25           1HB      LEU  25  -2.934  -9.433   8.798
  201    HG   LEU  25           HG       LEU  25  -5.527 -10.902   8.331
  202   HD11  LEU  25          1HD1      LEU  25  -4.317 -12.897   9.085
  203   HD12  LEU  25          2HD1      LEU  25  -2.814 -11.976   9.096
  204   HD13  LEU  25          3HD1      LEU  25  -3.657 -12.267   7.577
  205   HD21  LEU  25          3HD2      LEU  25  -5.434  -9.660  10.419
  206   HD22  LEU  25          1HD2      LEU  25  -3.880 -10.401  10.807
  207   HD23  LEU  25          2HD2      LEU  25  -5.335 -11.393  10.724
  208    H    GLY  26           HN       GLY  26  -3.587  -7.816   5.878
  209    HA2  GLY  26           2HA      GLY  26  -1.361  -6.285   6.579
  210    HA3  GLY  26           1HA      GLY  26  -2.103  -6.317   4.989
  211    H    LYS  27           HN       LYS  27  -4.536  -5.171   5.432
  212    HA   LYS  27           HA       LYS  27  -3.988  -2.437   5.419
  213    HB2  LYS  27           2HB      LYS  27  -6.582  -3.880   5.978
  214    HB3  LYS  27           1HB      LYS  27  -6.455  -2.158   5.684
  215    HG2  LYS  27           2HG      LYS  27  -5.662  -2.545   3.444
  216    HG3  LYS  27           1HG      LYS  27  -5.641  -4.287   3.726
  217    HD2  LYS  27           2HD      LYS  27  -7.636  -3.677   2.490
  218    HD3  LYS  27           1HD      LYS  27  -8.079  -4.227   4.109
  219    HE2  LYS  27           2HE      LYS  27  -7.990  -1.719   4.723
  220    HE3  LYS  27           1HE      LYS  27  -8.078  -1.449   2.985
  221    HZ1  LYS  27           3HZ      LYS  27 -10.141  -2.682   2.928
  222    HZ2  LYS  27           1HZ      LYS  27 -10.265  -1.404   4.029
  223    HZ3  LYS  27           2HZ      LYS  27 -10.048  -2.989   4.588
  224    H    THR  28           HN       THR  28  -5.046  -4.566   8.026
  225    HA   THR  28           HA       THR  28  -5.644  -2.511   9.872
  226    HB   THR  28           HB       THR  28  -4.905  -5.374  10.509
  227    HG1  THR  28           1HG      THR  28  -6.671  -5.489   9.171
  228   HG21  THR  28          3HG2      THR  28  -6.233  -5.017  12.536
  229   HG22  THR  28          1HG2      THR  28  -6.525  -3.343  12.055
  230   HG23  THR  28          2HG2      THR  28  -4.893  -3.873  12.457
  231    H    TYR  29           HN       TYR  29  -2.680  -4.299   9.142
  232    HA   TYR  29           HA       TYR  29  -1.183  -3.485  11.371
  233    HB2  TYR  29           2HB      TYR  29  -0.186  -3.970   8.556
  234    HB3  TYR  29           1HB      TYR  29   0.825  -3.867   9.991
  235    HD1  TYR  29           1HD      TYR  29  -0.574  -5.510  11.952
  236    HD2  TYR  29           2HD      TYR  29  -0.067  -6.109   7.773
  237    HE1  TYR  29           1HE      TYR  29  -0.792  -7.945  12.277
  238    HE2  TYR  29           2HE      TYR  29  -0.293  -8.533   8.081
  239    HH   TYR  29           HH       TYR  29  -1.382  -9.942  10.987
  240    H    ALA  30           HN       ALA  30  -1.634  -1.971   8.207
  241    HA   ALA  30           HA       ALA  30   0.046   0.261   8.695
  242    HB1  ALA  30           1HB      ALA  30  -0.578  -0.467   6.437
  243    HB2  ALA  30           2HB      ALA  30  -1.000   1.222   6.708
  244    HB3  ALA  30           3HB      ALA  30  -2.254  -0.016   6.755
  245    H    GLU  31           HN       GLU  31  -3.435  -0.274   9.003
  246    HA   GLU  31           HA       GLU  31  -4.138   2.322   9.838
  247    HB2  GLU  31           2HB      GLU  31  -5.431  -0.358  10.354
  248    HB3  GLU  31           1HB      GLU  31  -6.152   1.175  10.825
  249    HG2  GLU  31           2HG      GLU  31  -5.441   0.411   8.005
  250    HG3  GLU  31           1HG      GLU  31  -7.049   0.277   8.717
  251    H    HIS  32           HN       HIS  32  -2.557  -0.250  11.484
  252    HA   HIS  32           HA       HIS  32  -3.227   0.865  14.115
  253    HB2  HIS  32           2HB      HIS  32  -3.367  -1.685  13.377
  254    HB3  HIS  32           1HB      HIS  32  -1.663  -1.656  13.813
  255    HD1  HIS  32           1HD      HIS  32  -1.160  -2.057  16.213
  256    HD2  HIS  32           2HD      HIS  32  -5.071  -0.760  15.615
  257    HE1  HIS  32           1HE      HIS  32  -2.280  -2.208  18.463
  258    HE2  HIS  32           2HE      HIS  32  -4.687  -1.573  18.039
  259    H    GLU  33           HN       GLU  33  -1.103   1.667  11.973
  260    HA   GLU  33           HA       GLU  33   0.838   2.851  12.065
  261    HB2  GLU  33           2HB      GLU  33  -0.224   3.598  14.272
  262    HB3  GLU  33           1HB      GLU  33   0.841   2.441  15.053
  263    HG2  GLU  33           2HG      GLU  33   2.782   3.633  14.182
  264    HG3  GLU  33           1HG      GLU  33   1.712   4.792  13.389
  265    H    GLN  34           HN       GLN  34   0.665  -0.155  12.045
  266    HA   GLN  34           HA       GLN  34   3.344  -0.817  13.080
  267    HB2  GLN  34           2HB      GLN  34   1.266  -2.072  13.907
  268    HB3  GLN  34           1HB      GLN  34   1.196  -2.789  12.304
  269    HG2  GLN  34           2HG      GLN  34   2.284  -4.286  13.857
  270    HG3  GLN  34           1HG      GLN  34   3.428  -3.737  12.635
  271   HE21  GLN  34          1HE2      GLN  34   5.191  -4.202  13.945
  272   HE22  GLN  34          2HE2      GLN  34   5.606  -3.238  15.321
  273    H    PHE  35           HN       PHE  35   3.338   0.579  10.802
  274    HA   PHE  35           HA       PHE  35   2.971  -0.685   8.357
  275    HB2  PHE  35           2HB      PHE  35   5.097   1.362   9.023
  276    HB3  PHE  35           1HB      PHE  35   4.467   0.996   7.421
  277    HD1  PHE  35           1HD      PHE  35   2.184   1.672   6.806
  278    HD2  PHE  35           2HD      PHE  35   3.916   2.771  10.532
  279    HE1  PHE  35           1HE      PHE  35   0.467   3.409   7.088
  280    HE2  PHE  35           2HE      PHE  35   2.200   4.506  10.824
  281    HZ   PHE  35           HZ       PHE  35   0.471   4.829   9.099
  282    H    ASP  36           HN       ASP  36   5.695  -0.773  10.554
  283    HA   ASP  36           HA       ASP  36   7.679  -1.934   9.004
  284    HB2  ASP  36           2HB      ASP  36   8.011  -1.160  11.303
  285    HB3  ASP  36           1HB      ASP  36   7.008  -2.472  11.903
  286    H    ALA  37           HN       ALA  37   5.143  -3.513  10.857
  287    HA   ALA  37           HA       ALA  37   5.965  -6.174  10.167
  288    HB1  ALA  37           1HB      ALA  37   4.875  -5.715  12.303
  289    HB2  ALA  37           2HB      ALA  37   3.965  -6.897  11.360
  290    HB3  ALA  37           3HB      ALA  37   3.408  -5.226  11.456
  291    H    ALA  38           HN       ALA  38   3.778  -3.825   8.886
  292    HA   ALA  38           HA       ALA  38   2.060  -5.528   7.457
  293    HB1  ALA  38           1HB      ALA  38   1.447  -3.549   6.175
  294    HB2  ALA  38           2HB      ALA  38   2.842  -2.687   6.826
  295    HB3  ALA  38           3HB      ALA  38   1.535  -3.187   7.898
  296    H    LEU  39           HN       LEU  39   5.193  -4.140   6.680
  297    HA   LEU  39           HA       LEU  39   5.114  -4.281   3.915
  298    HB2  LEU  39           2HB      LEU  39   7.514  -4.670   5.699
  299    HB3  LEU  39           1HB      LEU  39   7.562  -4.274   3.994
  300    HG   LEU  39           HG       LEU  39   6.430  -2.525   6.176
  301   HD11  LEU  39          1HD1      LEU  39   8.860  -2.656   6.226
  302   HD12  LEU  39          2HD1      LEU  39   8.325  -1.070   5.672
  303   HD13  LEU  39          3HD1      LEU  39   8.927  -2.252   4.511
  304   HD21  LEU  39          3HD2      LEU  39   6.702  -2.052   3.211
  305   HD22  LEU  39          1HD2      LEU  39   6.254  -0.829   4.400
  306   HD23  LEU  39          2HD2      LEU  39   5.200  -2.215   4.119
  307    HA   PRO  40           HA       PRO  40   6.987  -8.704   3.867
  308    HB2  PRO  40           2HB      PRO  40   6.959 -10.185   6.141
  309    HB3  PRO  40           1HB      PRO  40   8.319  -9.157   5.676
  310    HG2  PRO  40           2HG      PRO  40   6.114  -8.622   7.626
  311    HG3  PRO  40           1HG      PRO  40   7.845  -8.262   7.765
  312    HD2  PRO  40           2HD      PRO  40   5.995  -6.391   7.099
  313    HD3  PRO  40           1HD      PRO  40   7.670  -6.340   6.518
  314    H    HIS  41           HN       HIS  41   4.287  -8.154   6.067
  315    HA   HIS  41           HA       HIS  41   3.016 -10.651   5.511
  316    HB2  HIS  41           2HB      HIS  41   2.025  -8.125   6.835
  317    HB3  HIS  41           1HB      HIS  41   1.016  -9.554   6.629
  318    HD1  HIS  41           1HD      HIS  41   0.848 -10.524   8.940
  319    HD2  HIS  41           2HD      HIS  41   4.741  -9.426   7.971
  320    HE1  HIS  41           1HE      HIS  41   2.272 -11.301  10.861
  321    HE2  HIS  41           2HE      HIS  41   4.638 -10.755  10.179
  322    H    LEU  42           HN       LEU  42   2.709  -7.367   4.235
  323    HA   LEU  42           HA       LEU  42   0.551  -7.882   2.491
  324    HB2  LEU  42           2HB      LEU  42   2.644  -5.808   2.725
  325    HB3  LEU  42           1HB      LEU  42   1.961  -6.012   1.124
  326    HG   LEU  42           HG       LEU  42  -0.298  -5.628   2.078
  327   HD11  LEU  42          1HD1      LEU  42  -0.496  -4.685   4.318
  328   HD12  LEU  42          2HD1      LEU  42   1.224  -4.971   4.592
  329   HD13  LEU  42          3HD1      LEU  42   0.128  -6.335   4.360
  330   HD21  LEU  42          3HD2      LEU  42  -0.022  -3.222   2.403
  331   HD22  LEU  42          1HD2      LEU  42   0.935  -3.811   1.044
  332   HD23  LEU  42          2HD2      LEU  42   1.720  -3.448   2.581
  333    H    ARG  43           HN       ARG  43   4.053  -8.264   2.121
  334    HA   ARG  43           HA       ARG  43   4.062  -8.989  -0.582
  335    HB2  ARG  43           2HB      ARG  43   6.158  -8.554   0.587
  336    HB3  ARG  43           1HB      ARG  43   5.901  -9.962   1.613
  337    HG2  ARG  43           2HG      ARG  43   5.773 -11.239  -0.663
  338    HG3  ARG  43           1HG      ARG  43   6.636  -9.830  -1.274
  339    HD2  ARG  43           2HD      ARG  43   8.483 -10.231   0.132
  340    HD3  ARG  43           1HD      ARG  43   7.582 -11.387   1.117
  341    HE   ARG  43           HE       ARG  43   7.688 -12.259  -1.581
  342   HH11  ARG  43          1HH1      ARG  43   9.664 -12.014   1.311
  343   HH12  ARG  43          2HH1      ARG  43  10.697 -13.343   0.859
  344   HH21  ARG  43          1HH2      ARG  43   9.014 -13.999  -2.149
  345   HH22  ARG  43          2HH2      ARG  43  10.327 -14.467  -1.114
  346    H    ALA  44           HN       ALA  44   3.476 -10.892   2.325
  347    HA   ALA  44           HA       ALA  44   3.665 -13.443   1.224
  348    HB1  ALA  44           1HB      ALA  44   2.338 -14.199   3.119
  349    HB2  ALA  44           2HB      ALA  44   1.848 -12.538   3.453
  350    HB3  ALA  44           3HB      ALA  44   3.538 -13.011   3.626
  351    H    ALA  45           HN       ALA  45   0.906 -11.225   1.288
  352    HA   ALA  45           HA       ALA  45  -0.894 -13.066   0.055
  353    HB1  ALA  45           1HB      ALA  45  -1.023 -10.059   0.170
  354    HB2  ALA  45           2HB      ALA  45  -1.679 -11.167   1.373
  355    HB3  ALA  45           3HB      ALA  45  -2.346 -11.142  -0.259
  356    H    LEU  46           HN       LEU  46   1.090 -10.390  -1.167
  357    HA   LEU  46           HA       LEU  46   0.077 -10.600  -3.832
  358    HB2  LEU  46           2HB      LEU  46   2.414  -9.086  -2.688
  359    HB3  LEU  46           1HB      LEU  46   1.898  -8.968  -4.361
  360    HG   LEU  46           HG       LEU  46   0.234  -8.212  -1.958
  361   HD11  LEU  46          1HD1      LEU  46   1.602  -6.498  -4.030
  362   HD12  LEU  46          2HD1      LEU  46   2.068  -6.654  -2.335
  363   HD13  LEU  46          3HD1      LEU  46   0.523  -5.919  -2.760
  364   HD21  LEU  46          3HD2      LEU  46  -1.348  -7.335  -3.586
  365   HD22  LEU  46          1HD2      LEU  46  -1.105  -9.064  -3.820
  366   HD23  LEU  46          2HD2      LEU  46  -0.330  -7.911  -4.906
  367    H    ASP  47           HN       ASP  47   2.768 -12.009  -2.156
  368    HA   ASP  47           HA       ASP  47   4.420 -12.579  -4.360
  369    HB2  ASP  47           2HB      ASP  47   4.840 -12.811  -1.774
  370    HB3  ASP  47           1HB      ASP  47   4.245 -14.450  -2.020
  371    H    PHE  48           HN       PHE  48   1.724 -14.308  -2.906
  372    HA   PHE  48           HA       PHE  48   1.890 -16.476  -4.808
  373    HB2  PHE  48           2HB      PHE  48  -0.110 -15.791  -2.659
  374    HB3  PHE  48           1HB      PHE  48  -0.314 -17.155  -3.751
  375    HD1  PHE  48           1HD      PHE  48   1.613 -15.803  -0.955
  376    HD2  PHE  48           2HD      PHE  48   1.070 -19.119  -3.561
  377    HE1  PHE  48           1HE      PHE  48   2.983 -17.195   0.540
  378    HE2  PHE  48           2HE      PHE  48   2.441 -20.520  -2.072
  379    HZ   PHE  48           HZ       PHE  48   3.400 -19.556  -0.018
  380    H    ASP  49           HN       ASP  49  -0.174 -13.635  -4.285
  381    HA   ASP  49           HA       ASP  49  -1.223 -13.958  -7.001
  382    HB2  ASP  49           2HB      ASP  49  -2.785 -15.006  -5.264
  383    HB3  ASP  49           1HB      ASP  49  -3.090 -13.365  -4.707
  384    HA   PRO  50           HA       PRO  50  -0.096  -9.620  -6.161
  385    HB2  PRO  50           2HB      PRO  50   1.074  -9.180  -8.589
  386    HB3  PRO  50           1HB      PRO  50   1.910  -9.872  -7.198
  387    HG2  PRO  50           2HG      PRO  50   1.022 -11.168  -9.673
  388    HG3  PRO  50           1HG      PRO  50   2.234 -11.697  -8.500
  389    HD2  PRO  50           2HD      PRO  50  -0.448 -12.624  -8.798
  390    HD3  PRO  50           1HD      PRO  50   0.747 -13.121  -7.589
  391    H    THR  51           HN       THR  51  -2.364 -11.013  -8.105
  392    HA   THR  51           HA       THR  51  -2.912  -9.146 -10.108
  393    HB   THR  51           HB       THR  51  -5.185 -10.636  -8.916
  394    HG1  THR  51           1HG      THR  51  -3.890 -12.324  -8.662
  395   HG21  THR  51          3HG2      THR  51  -5.398  -9.501 -11.077
  396   HG22  THR  51          1HG2      THR  51  -5.557 -11.248 -11.263
  397   HG23  THR  51          2HG2      THR  51  -4.051 -10.448 -11.712
  398    H    TYR  52           HN       TYR  52  -3.486  -8.874  -6.730
  399    HA   TYR  52           HA       TYR  52  -5.878  -7.290  -6.915
  400    HB2  TYR  52           2HB      TYR  52  -5.093  -8.804  -4.960
  401    HB3  TYR  52           1HB      TYR  52  -4.118  -7.421  -4.484
  402    HD1  TYR  52           1HD      TYR  52  -7.640  -8.264  -5.398
  403    HD2  TYR  52           2HD      TYR  52  -5.044  -5.889  -3.004
  404    HE1  TYR  52           1HE      TYR  52  -9.587  -7.337  -4.218
  405    HE2  TYR  52           2HE      TYR  52  -6.986  -4.955  -1.823
  406    HH   TYR  52           HH       TYR  52  -9.427  -4.601  -2.265
  407    H    SER  53           HN       SER  53  -5.547  -5.472  -8.065
  408    HA   SER  53           HA       SER  53  -3.313  -3.853  -8.185
  409    HB2  SER  53           2HB      SER  53  -6.176  -2.946  -8.513
  410    HB3  SER  53           1HB      SER  53  -4.744  -2.214  -9.232
  411    HG   SER  53           HG       SER  53  -5.496  -3.453 -10.830
  412    H    VAL  54           HN       VAL  54  -6.059  -3.682  -5.967
  413    HA   VAL  54           HA       VAL  54  -5.622  -1.141  -4.907
  414    HB   VAL  54           HB       VAL  54  -6.670  -3.505  -3.346
  415   HG11  VAL  54          1HG1      VAL  54  -7.200  -0.546  -3.107
  416   HG12  VAL  54          2HG1      VAL  54  -6.231  -1.521  -2.005
  417   HG13  VAL  54          3HG1      VAL  54  -7.965  -1.808  -2.141
  418   HG21  VAL  54          3HG2      VAL  54  -7.859  -3.404  -5.446
  419   HG22  VAL  54          1HG2      VAL  54  -8.135  -1.673  -5.241
  420   HG23  VAL  54          2HG2      VAL  54  -8.902  -2.823  -4.146
  421    H    ALA  55           HN       ALA  55  -4.102  -4.204  -4.174
  422    HA   ALA  55           HA       ALA  55  -2.924  -3.423  -1.715
  423    HB1  ALA  55           1HB      ALA  55  -1.627  -5.467  -1.899
  424    HB2  ALA  55           2HB      ALA  55  -2.122  -5.644  -3.582
  425    HB3  ALA  55           3HB      ALA  55  -3.320  -5.756  -2.294
  426    H    TRP  56           HN       TRP  56  -1.932  -3.102  -5.059
  427    HA   TRP  56           HA       TRP  56   0.814  -2.598  -4.633
  428    HB2  TRP  56           2HB      TRP  56  -0.834  -1.240  -6.767
  429    HB3  TRP  56           1HB      TRP  56   0.872  -1.654  -6.822
  430    HD1  TRP  56           1HD      TRP  56   0.098  -4.805  -5.802
  431    HE1  TRP  56           1HE      TRP  56  -0.709  -6.398  -7.654
  432    HE3  TRP  56           3HE      TRP  56  -1.258  -1.348  -9.296
  433    HZ2  TRP  56           2HZ      TRP  56  -1.776  -6.211 -10.250
  434    HZ3  TRP  56           3HZ      TRP  56  -2.168  -2.134 -11.440
  435    HH2  TRP  56           2HH      TRP  56  -2.422  -4.516 -11.906
  436    H    LYS  57           HN       LYS  57  -1.996  -0.508  -4.859
  437    HA   LYS  57           HA       LYS  57  -0.701   1.940  -4.356
  438    HB2  LYS  57           2HB      LYS  57  -2.788   2.027  -5.416
  439    HB3  LYS  57           1HB      LYS  57  -3.540   0.978  -4.237
  440    HG2  LYS  57           2HG      LYS  57  -3.491   2.759  -2.585
  441    HG3  LYS  57           1HG      LYS  57  -2.664   3.812  -3.737
  442    HD2  LYS  57           2HD      LYS  57  -5.115   4.226  -3.587
  443    HD3  LYS  57           1HD      LYS  57  -4.570   3.796  -5.210
  444    HE2  LYS  57           2HE      LYS  57  -5.254   1.447  -4.746
  445    HE3  LYS  57           1HE      LYS  57  -5.922   1.988  -3.208
  446    HZ1  LYS  57           3HZ      LYS  57  -7.480   3.370  -4.361
  447    HZ2  LYS  57           1HZ      LYS  57  -7.588   1.799  -4.991
  448    HZ3  LYS  57           2HZ      LYS  57  -6.784   3.009  -5.867
  449    H    TRP  58           HN       TRP  58  -2.145  -0.482  -2.247
  450    HA   TRP  58           HA       TRP  58  -1.954   0.978   0.161
  451    HB2  TRP  58           2HB      TRP  58  -2.372  -1.849  -0.578
  452    HB3  TRP  58           1HB      TRP  58  -1.674  -1.578   1.016
  453    HD1  TRP  58           1HD      TRP  58  -4.933  -1.505  -0.808
  454    HE1  TRP  58           1HE      TRP  58  -6.810  -0.709   0.774
  455    HE3  TRP  58           3HE      TRP  58  -2.046   0.153   3.065
  456    HZ2  TRP  58           2HZ      TRP  58  -7.014   0.472   3.334
  457    HZ3  TRP  58           3HZ      TRP  58  -3.154   1.101   5.043
  458    HH2  TRP  58           2HH      TRP  58  -5.587   1.259   5.178
  459    H    LEU  59           HN       LEU  59   0.270  -1.316  -1.388
  460    HA   LEU  59           HA       LEU  59   2.199  -1.432   0.619
  461    HB2  LEU  59           2HB      LEU  59   1.996  -2.841  -1.482
  462    HB3  LEU  59           1HB      LEU  59   2.763  -1.526  -2.344
  463    HG   LEU  59           HG       LEU  59   4.247  -3.474  -1.688
  464   HD11  LEU  59          1HD1      LEU  59   5.067  -0.748  -0.703
  465   HD12  LEU  59          2HD1      LEU  59   5.162  -1.316  -2.370
  466   HD13  LEU  59          3HD1      LEU  59   6.149  -2.076  -1.121
  467   HD21  LEU  59          3HD2      LEU  59   3.383  -3.847   0.551
  468   HD22  LEU  59          1HD2      LEU  59   3.939  -2.250   1.050
  469   HD23  LEU  59          2HD2      LEU  59   5.109  -3.493   0.606
  470    H    GLY  60           HN       GLY  60   2.003   0.761  -2.171
  471    HA2  GLY  60           2HA      GLY  60   4.347   2.219  -1.623
  472    HA3  GLY  60           1HA      GLY  60   2.983   2.800  -2.567
  473    H    LYS  61           HN       LYS  61   1.005   2.728  -0.548
  474    HA   LYS  61           HA       LYS  61   1.523   5.220   0.688
  475    HB2  LYS  61           2HB      LYS  61  -0.713   4.236  -0.135
  476    HB3  LYS  61           1HB      LYS  61  -0.738   3.358   1.390
  477    HG2  LYS  61           2HG      LYS  61  -0.530   5.515   2.563
  478    HG3  LYS  61           1HG      LYS  61  -0.682   6.333   1.012
  479    HD2  LYS  61           2HD      LYS  61  -2.841   6.348   1.992
  480    HD3  LYS  61           1HD      LYS  61  -2.874   5.121   0.723
  481    HE2  LYS  61           2HE      LYS  61  -2.614   3.365   2.359
  482    HE3  LYS  61           1HE      LYS  61  -2.421   4.549   3.650
  483    HZ1  LYS  61           3HZ      LYS  61  -4.728   5.337   3.000
  484    HZ2  LYS  61           1HZ      LYS  61  -4.628   3.838   3.791
  485    HZ3  LYS  61           2HZ      LYS  61  -4.869   3.899   2.112
  486    H    THR  62           HN       THR  62   1.809   1.903   1.656
  487    HA   THR  62           HA       THR  62   1.905   2.346   4.469
  488    HB   THR  62           HB       THR  62   3.026   0.043   2.853
  489    HG1  THR  62           1HG      THR  62   0.792   0.242   2.554
  490   HG21  THR  62          3HG2      THR  62   2.298   0.187   5.782
  491   HG22  THR  62          1HG2      THR  62   3.940   0.181   5.142
  492   HG23  THR  62          2HG2      THR  62   2.904  -1.229   4.926
  493    H    LEU  63           HN       LEU  63   4.347   2.046   1.922
  494    HA   LEU  63           HA       LEU  63   6.591   2.283   3.630
  495    HB2  LEU  63           2HB      LEU  63   6.197   2.655   0.680
  496    HB3  LEU  63           1HB      LEU  63   7.738   3.012   1.436
  497    HG   LEU  63           HG       LEU  63   6.353   0.327   1.518
  498   HD11  LEU  63          1HD1      LEU  63   7.127   0.833  -0.718
  499   HD12  LEU  63          2HD1      LEU  63   8.166  -0.385   0.019
  500   HD13  LEU  63          3HD1      LEU  63   8.711   1.289  -0.094
  501   HD21  LEU  63          3HD2      LEU  63   9.092   1.193   2.434
  502   HD22  LEU  63          1HD2      LEU  63   8.483  -0.461   2.433
  503   HD23  LEU  63          2HD2      LEU  63   7.740   0.751   3.478
  504    H    GLN  64           HN       GLN  64   4.515   4.618   2.094
  505    HA   GLN  64           HA       GLN  64   6.035   6.933   2.336
  506    HB2  GLN  64           2HB      GLN  64   3.918   6.923   1.159
  507    HB3  GLN  64           1HB      GLN  64   3.058   6.509   2.633
  508    HG2  GLN  64           2HG      GLN  64   2.673   8.806   2.204
  509    HG3  GLN  64           1HG      GLN  64   3.767   8.701   3.580
  510   HE21  GLN  64          1HE2      GLN  64   5.911   9.323   3.331
  511   HE22  GLN  64          2HE2      GLN  64   6.420  10.318   2.017
  512    H    GLY  65           HN       GLY  65   3.800   5.488   4.687
  513    HA2  GLY  65           2HA      GLY  65   3.595   5.738   6.957
  514    HA3  GLY  65           1HA      GLY  65   5.333   5.983   6.945
  515    H    GLN  66           HN       GLN  66   3.515   8.229   5.115
  516    HA   GLN  66           HA       GLN  66   3.040  10.436   5.330
  517    HB2  GLN  66           2HB      GLN  66   1.655   9.611   7.240
  518    HB3  GLN  66           1HB      GLN  66   3.017   9.898   8.309
  519    HG2  GLN  66           2HG      GLN  66   2.918  12.292   7.759
  520    HG3  GLN  66           1HG      GLN  66   1.516  11.984   6.736
  521   HE21  GLN  66          1HE2      GLN  66   1.856  13.633   9.139
  522   HE22  GLN  66          2HE2      GLN  66   0.646  13.084  10.252
  523    H    GLY  67           HN       GLY  67   5.882   9.224   5.734
  524    HA2  GLY  67           2HA      GLY  67   7.127  11.775   6.454
  525    HA3  GLY  67           1HA      GLY  67   7.552  10.374   7.416
  526    H    ASP  68           HN       ASP  68   7.704   8.441   5.307
  527    HA   ASP  68           HA       ASP  68  10.339   9.269   4.372
  528    HB2  ASP  68           2HB      ASP  68   9.968   7.070   5.594
  529    HB3  ASP  68           1HB      ASP  68   9.138   6.510   4.145
  530    H    ARG  69           HN       ARG  69   9.975  10.507   2.652
  531    HA   ARG  69           HA       ARG  69   8.178   9.978   0.556
  532    HB2  ARG  69           2HB      ARG  69   9.322  11.735  -0.650
  533    HB3  ARG  69           1HB      ARG  69   9.159  12.202   1.038
  534    HG2  ARG  69           2HG      ARG  69  11.503  11.484   1.410
  535    HG3  ARG  69           1HG      ARG  69  11.642  11.176  -0.321
  536    HD2  ARG  69           2HD      ARG  69  12.565  13.345   0.199
  537    HD3  ARG  69           1HD      ARG  69  11.096  13.543  -0.756
  538    HE   ARG  69           HE       ARG  69   9.971  14.312   1.183
  539   HH11  ARG  69          1HH1      ARG  69  13.393  13.734   1.697
  540   HH12  ARG  69          2HH1      ARG  69  13.456  14.684   3.151
  541   HH21  ARG  69          1HH2      ARG  69  10.052  15.570   3.057
  542   HH22  ARG  69          2HH2      ARG  69  11.560  15.748   3.922
  543    H    ALA  70           HN       ALA  70  11.393   8.802   1.191
  544    HA   ALA  70           HA       ALA  70  12.152   8.270  -1.493
  545    HB1  ALA  70           1HB      ALA  70  13.774   8.543   0.335
  546    HB2  ALA  70           2HB      ALA  70  13.998   7.026  -0.537
  547    HB3  ALA  70           3HB      ALA  70  13.212   7.027   1.041
  548    H    GLY  71           HN       GLY  71  10.957   6.177   1.125
  549    HA2  GLY  71           2HA      GLY  71  10.917   3.809  -0.451
  550    HA3  GLY  71           1HA      GLY  71  10.068   4.057   1.069
  551    H    ALA  72           HN       ALA  72   8.503   6.262   0.286
  552    HA   ALA  72           HA       ALA  72   6.278   4.975  -0.838
  553    HB1  ALA  72           1HB      ALA  72   6.858   7.922  -0.581
  554    HB2  ALA  72           2HB      ALA  72   6.053   6.903   0.609
  555    HB3  ALA  72           3HB      ALA  72   5.282   7.218  -0.941
  556    H    ARG  73           HN       ARG  73   8.494   7.395  -2.224
  557    HA   ARG  73           HA       ARG  73   7.272   7.528  -4.745
  558    HB2  ARG  73           2HB      ARG  73   8.911   9.188  -3.954
  559    HB3  ARG  73           1HB      ARG  73  10.183   7.978  -4.049
  560    HG2  ARG  73           2HG      ARG  73   9.858   7.818  -6.467
  561    HG3  ARG  73           1HG      ARG  73   8.580   9.031  -6.373
  562    HD2  ARG  73           2HD      ARG  73  10.208  10.643  -5.479
  563    HD3  ARG  73           1HD      ARG  73  11.476   9.428  -5.629
  564    HE   ARG  73           HE       ARG  73  10.431   9.603  -8.144
  565   HH11  ARG  73          1HH1      ARG  73  11.779  11.898  -5.868
  566   HH12  ARG  73          2HH1      ARG  73  12.360  12.988  -7.089
  567   HH21  ARG  73          1HH2      ARG  73  11.238  11.007  -9.775
  568   HH22  ARG  73          2HH2      ARG  73  12.052  12.478  -9.318
  569    H    GLN  74           HN       GLN  74  10.055   5.603  -3.640
  570    HA   GLN  74           HA       GLN  74  10.649   4.396  -6.082
  571    HB2  GLN  74           2HB      GLN  74  12.093   4.350  -4.070
  572    HB3  GLN  74           1HB      GLN  74  10.982   3.210  -3.322
  573    HG2  GLN  74           2HG      GLN  74  11.474   1.562  -5.007
  574    HG3  GLN  74           1HG      GLN  74  12.493   2.708  -5.877
  575   HE21  GLN  74          1HE2      GLN  74  12.208   0.668  -3.079
  576   HE22  GLN  74          2HE2      GLN  74  13.875   0.722  -2.606
  577    H    ALA  75           HN       ALA  75   8.337   3.459  -3.581
  578    HA   ALA  75           HA       ALA  75   7.640   0.954  -4.696
  579    HB1  ALA  75           1HB      ALA  75   5.715   1.029  -3.216
  580    HB2  ALA  75           2HB      ALA  75   5.990   2.748  -2.924
  581    HB3  ALA  75           3HB      ALA  75   7.171   1.562  -2.377
  582    H    TRP  76           HN       TRP  76   6.258   4.201  -5.051
  583    HA   TRP  76           HA       TRP  76   4.050   3.339  -6.627
  584    HB2  TRP  76           2HB      TRP  76   5.263   6.066  -6.192
  585    HB3  TRP  76           1HB      TRP  76   3.795   5.786  -7.118
  586    HD1  TRP  76           1HD      TRP  76   2.453   3.652  -5.123
  587    HE1  TRP  76           1HE      TRP  76   1.482   4.484  -2.891
  588    HE3  TRP  76           3HE      TRP  76   5.020   8.058  -4.706
  589    HZ2  TRP  76           2HZ      TRP  76   1.765   6.703  -1.182
  590    HZ3  TRP  76           3HZ      TRP  76   4.604   9.479  -2.742
  591    HH2  TRP  76           2HH      TRP  76   3.010   8.814  -1.018
  592    H    GLU  77           HN       GLU  77   7.232   4.695  -7.391
  593    HA   GLU  77           HA       GLU  77   6.884   5.000 -10.161
  594    HB2  GLU  77           2HB      GLU  77   9.415   4.221  -8.683
  595    HB3  GLU  77           1HB      GLU  77   9.335   4.878 -10.308
  596    HG2  GLU  77           2HG      GLU  77   8.282   6.392  -7.950
  597    HG3  GLU  77           1HG      GLU  77   9.984   6.437  -8.391
  598    H    SER  78           HN       SER  78   7.920   2.238  -8.214
  599    HA   SER  78           HA       SER  78   8.354   0.506 -10.447
  600    HB2  SER  78           2HB      SER  78   9.500   0.228  -8.254
  601    HB3  SER  78           1HB      SER  78   7.953  -0.224  -7.536
  602    HG   SER  78           HG       SER  78   8.808  -2.135  -8.074
  603    H    GLY  79           HN       GLY  79   5.716   0.963  -8.125
  604    HA2  GLY  79           2HA      GLY  79   4.171  -1.260  -8.961
  605    HA3  GLY  79           1HA      GLY  79   3.590   0.108  -8.025
  606    H    LEU  80           HN       LEU  80   4.482   1.962 -10.210
  607    HA   LEU  80           HA       LEU  80   2.072   2.226 -11.586
  608    HB2  LEU  80           2HB      LEU  80   4.241   3.767 -11.309
  609    HB3  LEU  80           1HB      LEU  80   4.561   3.148 -12.911
  610    HG   LEU  80           HG       LEU  80   2.381   4.005 -13.682
  611   HD11  LEU  80          1HD1      LEU  80   2.213   5.212 -10.925
  612   HD12  LEU  80          2HD1      LEU  80   1.187   3.925 -11.559
  613   HD13  LEU  80          3HD1      LEU  80   1.116   5.539 -12.266
  614   HD21  LEU  80          3HD2      LEU  80   4.385   5.361 -13.960
  615   HD22  LEU  80          1HD2      LEU  80   4.136   6.071 -12.366
  616   HD23  LEU  80          2HD2      LEU  80   2.974   6.374 -13.656
  617    H    ALA  81           HN       ALA  81   5.109   0.738 -12.542
  618    HA   ALA  81           HA       ALA  81   4.418   0.015 -15.164
  619    HB1  ALA  81           1HB      ALA  81   6.270  -1.563 -15.047
  620    HB2  ALA  81           2HB      ALA  81   6.312  -1.401 -13.292
  621    HB3  ALA  81           3HB      ALA  81   6.716  -0.022 -14.313
  622    H    ALA  82           HN       ALA  82   3.815  -1.619 -12.098
  623    HA   ALA  82           HA       ALA  82   2.855  -4.047 -13.158
  624    HB1  ALA  82           1HB      ALA  82   3.381  -3.816 -10.788
  625    HB2  ALA  82           2HB      ALA  82   1.707  -4.331 -10.999
  626    HB3  ALA  82           3HB      ALA  82   2.069  -2.654 -10.593
  627    H    ALA  83           HN       ALA  83   1.222  -1.027 -12.291
  628    HA   ALA  83           HA       ALA  83  -1.374  -1.828 -13.060
  629    HB1  ALA  83           1HB      ALA  83  -0.210   0.951 -12.927
  630    HB2  ALA  83           2HB      ALA  83  -0.959   0.081 -11.590
  631    HB3  ALA  83           3HB      ALA  83  -1.925   0.549 -12.989
  632    H    GLN  84           HN       GLN  84   1.208  -0.117 -14.774
  633    HA   GLN  84           HA       GLN  84  -0.110   0.378 -17.174
  634    HB2  GLN  84           2HB      GLN  84   2.776  -0.123 -16.500
  635    HB3  GLN  84           1HB      GLN  84   2.260   0.222 -18.142
  636    HG2  GLN  84           2HG      GLN  84   1.700   2.021 -15.802
  637    HG3  GLN  84           1HG      GLN  84   3.098   2.189 -16.862
  638   HE21  GLN  84          1HE2      GLN  84   2.804   2.840 -18.987
  639   HE22  GLN  84          2HE2      GLN  84   1.338   3.604 -19.525
  640    H    SER  85           HN       SER  85   1.870  -2.430 -16.241
  641    HA   SER  85           HA       SER  85   1.552  -3.841 -18.656
  642    HB2  SER  85           2HB      SER  85   3.284  -4.318 -16.911
  643    HB3  SER  85           1HB      SER  85   2.020  -5.033 -15.913
  644    HG   SER  85           HG       SER  85   2.918  -5.900 -18.461
  645    H    ARG  86           HN       ARG  86  -0.367  -3.833 -15.695
  646    HA   ARG  86           HA       ARG  86  -2.137  -5.916 -16.532
  647    HB2  ARG  86           2HB      ARG  86  -2.227  -3.866 -14.329
  648    HB3  ARG  86           1HB      ARG  86  -3.528  -5.019 -14.597
  649    HG2  ARG  86           2HG      ARG  86  -0.810  -6.142 -14.425
  650    HG3  ARG  86           1HG      ARG  86  -1.483  -5.466 -12.942
  651    HD2  ARG  86           2HD      ARG  86  -2.985  -7.417 -14.661
  652    HD3  ARG  86           1HD      ARG  86  -1.903  -7.922 -13.364
  653    HE   ARG  86           HE       ARG  86  -3.383  -6.468 -11.903
  654   HH11  ARG  86          1HH1      ARG  86  -4.567  -8.147 -14.738
  655   HH12  ARG  86          2HH1      ARG  86  -6.199  -8.260 -14.142
  656   HH21  ARG  86          1HH2      ARG  86  -5.520  -6.626 -11.114
  657   HH22  ARG  86          2HH2      ARG  86  -6.741  -7.378 -12.094
  658    H    GLY  87           HN       GLY  87  -1.845  -2.662 -17.385
  659    HA2  GLY  87           2HA      GLY  87  -3.153  -1.332 -18.741
  660    HA3  GLY  87           1HA      GLY  87  -4.268  -2.683 -18.903
  661    H    ASP  88           HN       ASP  88  -3.367  -1.592 -15.771
  662    HA   ASP  88           HA       ASP  88  -6.148  -0.931 -15.247
  663    HB2  ASP  88           2HB      ASP  88  -4.618  -2.446 -13.753
  664    HB3  ASP  88           1HB      ASP  88  -4.011  -0.913 -13.137
  665    H    GLN  89           HN       GLN  89  -6.199   0.992 -16.354
  666    HA   GLN  89           HA       GLN  89  -4.360   3.096 -16.102
  667    HB2  GLN  89           2HB      GLN  89  -7.247   3.091 -16.958
  668    HB3  GLN  89           1HB      GLN  89  -6.128   4.411 -17.209
  669    HG2  GLN  89           2HG      GLN  89  -5.868   1.646 -18.346
  670    HG3  GLN  89           1HG      GLN  89  -6.403   3.076 -19.222
  671   HE21  GLN  89          1HE2      GLN  89  -3.698   1.418 -17.815
  672   HE22  GLN  89          2HE2      GLN  89  -2.462   2.379 -18.550
  673    H    GLN  90           HN       GLN  90  -7.352   2.386 -14.430
  674    HA   GLN  90           HA       GLN  90  -7.770   4.796 -13.119
  675    HB2  GLN  90           2HB      GLN  90  -9.388   2.957 -13.074
  676    HB3  GLN  90           1HB      GLN  90  -8.283   1.992 -12.107
  677    HG2  GLN  90           2HG      GLN  90  -8.417   3.744 -10.340
  678    HG3  GLN  90           1HG      GLN  90  -9.676   4.524 -11.296
  679   HE21  GLN  90          1HE2      GLN  90  -9.757   3.371  -8.611
  680   HE22  GLN  90          2HE2      GLN  90 -11.030   2.185  -8.646
  681    H    VAL  91           HN       VAL  91  -5.808   2.013 -12.126
  682    HA   VAL  91           HA       VAL  91  -5.070   3.069  -9.605
  683    HB   VAL  91           HB       VAL  91  -3.752   0.936 -11.298
  684   HG11  VAL  91          1HG1      VAL  91  -3.221   1.693  -8.417
  685   HG12  VAL  91          2HG1      VAL  91  -2.094   1.865  -9.762
  686   HG13  VAL  91          3HG1      VAL  91  -2.587   0.259  -9.225
  687   HG21  VAL  91          3HG2      VAL  91  -5.583   0.794  -8.903
  688   HG22  VAL  91          1HG2      VAL  91  -4.813  -0.587  -9.678
  689   HG23  VAL  91          2HG2      VAL  91  -5.998   0.371 -10.563
  690    H    VAL  92           HN       VAL  92  -3.625   3.253 -12.806
  691    HA   VAL  92           HA       VAL  92  -1.162   4.385 -12.140
  692    HB   VAL  92           HB       VAL  92  -2.839   4.966 -14.589
  693   HG11  VAL  92          1HG1      VAL  92   0.122   5.313 -14.128
  694   HG12  VAL  92          2HG1      VAL  92  -1.064   6.607 -14.305
  695   HG13  VAL  92          3HG1      VAL  92  -0.714   5.542 -15.666
  696   HG21  VAL  92          3HG2      VAL  92  -2.426   2.583 -14.288
  697   HG22  VAL  92          1HG2      VAL  92  -0.696   2.896 -14.152
  698   HG23  VAL  92          2HG2      VAL  92  -1.533   3.219 -15.669
  699    H    LYS  93           HN       LYS  93  -4.266   5.973 -12.861
  700    HA   LYS  93           HA       LYS  93  -3.296   8.609 -12.458
  701    HB2  LYS  93           2HB      LYS  93  -6.100   7.499 -12.420
  702    HB3  LYS  93           1HB      LYS  93  -5.731   9.211 -12.276
  703    HG2  LYS  93           2HG      LYS  93  -4.581   9.084 -14.478
  704    HG3  LYS  93           1HG      LYS  93  -5.159   7.422 -14.625
  705    HD2  LYS  93           2HD      LYS  93  -6.921   9.842 -14.254
  706    HD3  LYS  93           1HD      LYS  93  -6.597   9.055 -15.800
  707    HE2  LYS  93           2HE      LYS  93  -7.636   7.027 -15.048
  708    HE3  LYS  93           1HE      LYS  93  -7.817   7.671 -13.418
  709    HZ1  LYS  93           3HZ      LYS  93  -9.857   7.725 -14.826
  710    HZ2  LYS  93           1HZ      LYS  93  -9.103   8.893 -15.796
  711    HZ3  LYS  93           2HZ      LYS  93  -9.420   9.224 -14.163
  712    H    GLU  94           HN       GLU  94  -4.910   6.290 -10.319
  713    HA   GLU  94           HA       GLU  94  -5.324   8.014  -8.150
  714    HB2  GLU  94           2HB      GLU  94  -4.837   5.029  -8.164
  715    HB3  GLU  94           1HB      GLU  94  -5.447   5.948  -6.800
  716    HG2  GLU  94           2HG      GLU  94  -7.391   6.612  -8.153
  717    HG3  GLU  94           1HG      GLU  94  -6.793   5.592  -9.460
  718    H    LEU  95           HN       LEU  95  -2.628   5.802  -8.849
  719    HA   LEU  95           HA       LEU  95  -1.111   6.539  -6.570
  720    HB2  LEU  95           2HB      LEU  95  -0.360   5.216  -9.168
  721    HB3  LEU  95           1HB      LEU  95   0.808   5.524  -7.898
  722    HG   LEU  95           HG       LEU  95  -1.645   3.770  -7.641
  723   HD11  LEU  95          1HD1      LEU  95   1.288   3.077  -7.755
  724   HD12  LEU  95          2HD1      LEU  95   0.110   2.793  -9.036
  725   HD13  LEU  95          3HD1      LEU  95  -0.041   1.944  -7.497
  726   HD21  LEU  95          3HD2      LEU  95  -0.715   3.172  -5.463
  727   HD22  LEU  95          1HD2      LEU  95  -1.103   4.891  -5.547
  728   HD23  LEU  95          2HD2      LEU  95   0.573   4.356  -5.684
  729    H    GLN  96           HN       GLN  96  -1.319   7.767  -9.846
  730    HA   GLN  96           HA       GLN  96   0.927   9.407  -9.911
  731    HB2  GLN  96           2HB      GLN  96  -0.484   8.982 -11.865
  732    HB3  GLN  96           1HB      GLN  96  -1.795   9.897 -11.134
  733    HG2  GLN  96           2HG      GLN  96  -0.422  11.921 -11.219
  734    HG3  GLN  96           1HG      GLN  96   0.881  10.999 -11.969
  735   HE21  GLN  96          1HE2      GLN  96  -2.272  12.392 -12.402
  736   HE22  GLN  96          2HE2      GLN  96  -2.311  12.250 -14.133
  737    H    VAL  97           HN       VAL  97  -2.197   9.919  -8.387
  738    HA   VAL  97           HA       VAL  97  -2.009  12.671  -7.862
  739    HB   VAL  97           HB       VAL  97  -3.349  10.533  -6.181
  740   HG11  VAL  97          1HG1      VAL  97  -3.043  12.592  -4.922
  741   HG12  VAL  97          2HG1      VAL  97  -4.745  12.353  -5.319
  742   HG13  VAL  97          3HG1      VAL  97  -3.783  13.519  -6.228
  743   HG21  VAL  97          3HG2      VAL  97  -5.401  11.215  -7.376
  744   HG22  VAL  97          1HG2      VAL  97  -4.185  10.527  -8.454
  745   HG23  VAL  97          2HG2      VAL  97  -4.427  12.272  -8.399
  746    H    PHE  98           HN       PHE  98  -0.834   9.866  -6.082
  747    HA   PHE  98           HA       PHE  98   0.177  11.292  -3.852
  748    HB2  PHE  98           2HB      PHE  98   0.924   8.581  -4.969
  749    HB3  PHE  98           1HB      PHE  98   1.495   9.212  -3.429
  750    HD1  PHE  98           1HD      PHE  98  -0.097   9.566  -1.575
  751    HD2  PHE  98           2HD      PHE  98  -1.249   7.672  -5.204
  752    HE1  PHE  98           1HE      PHE  98  -2.095   8.658  -0.461
  753    HE2  PHE  98           2HE      PHE  98  -3.247   6.756  -4.101
  754    HZ   PHE  98           HZ       PHE  98  -3.672   7.250  -1.724
  755    H    LEU  99           HN       LEU  99   1.534  10.368  -6.966
  756    HA   LEU  99           HA       LEU  99   4.223  10.976  -6.423
  757    HB2  LEU  99           2HB      LEU  99   2.599  10.689  -8.895
  758    HB3  LEU  99           1HB      LEU  99   4.148  11.493  -9.036
  759    HG   LEU  99           HG       LEU  99   4.398   9.167  -9.601
  760   HD11  LEU  99          1HD1      LEU  99   5.577   9.760  -6.894
  761   HD12  LEU  99          2HD1      LEU  99   6.262  10.209  -8.455
  762   HD13  LEU  99          3HD1      LEU  99   6.131   8.509  -8.007
  763   HD21  LEU  99          3HD2      LEU  99   3.951   7.381  -8.003
  764   HD22  LEU  99          1HD2      LEU  99   2.481   8.274  -8.387
  765   HD23  LEU  99          2HD2      LEU  99   3.311   8.557  -6.856
  766    H    ARG 100           HN       ARG 100   1.536  13.019  -7.420
  767    HA   ARG 100           HA       ARG 100   3.066  15.296  -8.107
  768    HB2  ARG 100           2HB      ARG 100   0.303  15.462  -6.934
  769    HB3  ARG 100           1HB      ARG 100   1.040  16.475  -8.164
  770    HG2  ARG 100           2HG      ARG 100   1.093  14.282  -9.544
  771    HG3  ARG 100           1HG      ARG 100  -0.152  13.765  -8.414
  772    HD2  ARG 100           2HD      ARG 100  -0.239  16.192 -10.200
  773    HD3  ARG 100           1HD      ARG 100  -1.187  14.717 -10.381
  774    HE   ARG 100           HE       ARG 100  -1.610  15.950  -7.835
  775   HH11  ARG 100          1HH1      ARG 100  -2.532  16.017 -11.214
  776   HH12  ARG 100          2HH1      ARG 100  -4.024  16.860 -10.934
  777   HH21  ARG 100          1HH2      ARG 100  -3.567  17.076  -7.451
  778   HH22  ARG 100          2HH2      ARG 100  -4.596  17.501  -8.790
  779    H    ARG 101           HN       ARG 101   1.451  14.287  -5.157
  780    HA   ARG 101           HA       ARG 101   2.198  16.483  -3.554
  781    HB2  ARG 101           2HB      ARG 101   0.437  14.993  -2.823
  782    HB3  ARG 101           1HB      ARG 101   1.549  13.630  -2.788
  783    HG2  ARG 101           2HG      ARG 101   2.816  14.720  -0.996
  784    HG3  ARG 101           1HG      ARG 101   1.672  16.061  -1.018
  785    HD2  ARG 101           2HD      ARG 101  -0.112  14.621  -0.313
  786    HD3  ARG 101           1HD      ARG 101   0.920  13.199  -0.463
  787    HE   ARG 101           HE       ARG 101   2.260  14.148   1.376
  788   HH11  ARG 101          1HH1      ARG 101  -1.053  15.231   0.960
  789   HH12  ARG 101          2HH1      ARG 101  -1.224  15.720   2.619
  790   HH21  ARG 101          1HH2      ARG 101   2.042  14.799   3.538
  791   HH22  ARG 101          2HH2      ARG 101   0.540  15.489   4.091
  792    H    LEU 102           HN       LEU 102   3.750  13.379  -4.191
  793    HA   LEU 102           HA       LEU 102   5.872  13.668  -2.343
  794    HB2  LEU 102           2HB      LEU 102   4.948  11.622  -3.778
  795    HB3  LEU 102           1HB      LEU 102   6.223  12.120  -4.868
  796    HG   LEU 102           HG       LEU 102   6.890  10.282  -3.359
  797   HD11  LEU 102          1HD1      LEU 102   9.020  11.232  -2.632
  798   HD12  LEU 102          2HD1      LEU 102   8.392  12.856  -2.910
  799   HD13  LEU 102          3HD1      LEU 102   8.602  11.748  -4.265
  800   HD21  LEU 102          3HD2      LEU 102   7.262  10.746  -0.988
  801   HD22  LEU 102          1HD2      LEU 102   5.560  10.895  -1.419
  802   HD23  LEU 102          2HD2      LEU 102   6.543  12.342  -1.185
  803    H    ALA 103           HN       ALA 103   5.453  14.522  -5.724
  804    HA   ALA 103           HA       ALA 103   8.067  15.237  -6.368
  805    HB1  ALA 103           1HB      ALA 103   5.515  16.421  -7.447
  806    HB2  ALA 103           2HB      ALA 103   6.291  14.947  -8.024
  807    HB3  ALA 103           3HB      ALA 103   7.103  16.502  -8.207
  808    H    ARG 104           HN       ARG 104   5.609  17.021  -4.612
  809    HA   ARG 104           HA       ARG 104   6.854  19.556  -4.891
  810    HB2  ARG 104           2HB      ARG 104   4.838  18.562  -2.884
  811    HB3  ARG 104           1HB      ARG 104   5.372  20.236  -2.997
  812    HG2  ARG 104           2HG      ARG 104   4.638  20.182  -5.405
  813    HG3  ARG 104           1HG      ARG 104   3.877  18.634  -5.048
  814    HD2  ARG 104           2HD      ARG 104   2.453  19.667  -3.400
  815    HD3  ARG 104           1HD      ARG 104   3.280  21.212  -3.607
  816    HE   ARG 104           HE       ARG 104   2.086  20.088  -5.997
  817   HH11  ARG 104          1HH1      ARG 104   1.676  22.263  -3.281
  818   HH12  ARG 104          2HH1      ARG 104   0.466  23.230  -4.072
  819   HH21  ARG 104          1HH2      ARG 104   0.499  21.339  -7.033
  820   HH22  ARG 104          2HH2      ARG 104  -0.226  22.683  -6.207
  821    H    GLU 105           HN       GLU 105   7.276  16.918  -2.610
  822    HA   GLU 105           HA       GLU 105   9.029  18.389  -0.898
  823    HB2  GLU 105           2HB      GLU 105   8.526  15.442  -1.286
  824    HB3  GLU 105           1HB      GLU 105   9.698  16.064  -0.145
  825    HG2  GLU 105           2HG      GLU 105   7.801  17.384   0.882
  826    HG3  GLU 105           1HG      GLU 105   6.724  16.405  -0.113
  827    H    ASP 106           HN       ASP 106   9.386  16.158  -3.604
  828    HA   ASP 106           HA       ASP 106  12.158  16.024  -3.822
  829    HB2  ASP 106           2HB      ASP 106  10.621  14.696  -5.198
  830    HB3  ASP 106           1HB      ASP 106  10.086  16.147  -6.025
  831    H    ALA 107           HN       ALA 107   9.880  18.345  -5.088
  832    HA   ALA 107           HA       ALA 107  11.508  19.978  -6.591
  833    HB1  ALA 107           1HB      ALA 107   9.159  20.828  -4.909
  834    HB2  ALA 107           2HB      ALA 107   9.072  20.127  -6.524
  835    HB3  ALA 107           3HB      ALA 107   9.829  21.702  -6.288
  836    H    LEU 108           HN       LEU 108  11.277  19.824  -3.101
  837    HA   LEU 108           HA       LEU 108  12.477  22.334  -2.556
  838    HB2  LEU 108           2HB      LEU 108  12.415  19.806  -0.904
  839    HB3  LEU 108           1HB      LEU 108  12.870  21.386  -0.317
  840    HG   LEU 108           HG       LEU 108  10.151  20.661  -1.354
  841   HD11  LEU 108          1HD1      LEU 108  10.631  19.561   0.760
  842   HD12  LEU 108          2HD1      LEU 108   9.436  20.840   0.975
  843   HD13  LEU 108          3HD1      LEU 108  11.110  21.103   1.465
  844   HD21  LEU 108          3HD2      LEU 108   9.477  22.842  -0.474
  845   HD22  LEU 108          1HD2      LEU 108  10.699  23.001  -1.737
  846   HD23  LEU 108          2HD2      LEU 108  11.154  23.181  -0.041
  847    H    GLU 109           HN       GLU 109  13.722  19.118  -3.187
  848    HA   GLU 109           HA       GLU 109  16.463  19.959  -2.668
  849    HB2  GLU 109           2HB      GLU 109  15.294  17.265  -3.319
  850    HB3  GLU 109           1HB      GLU 109  16.989  17.571  -2.961
  851    HG2  GLU 109           2HG      GLU 109  14.828  18.315  -1.035
  852    HG3  GLU 109           1HG      GLU 109  15.496  16.698  -1.102
  853    H    HIS 110           HN       HIS 110  14.353  20.046  -5.103
  854    HA   HIS 110           HA       HIS 110  16.348  19.505  -7.205
  855    HB2  HIS 110           2HB      HIS 110  14.322  17.911  -6.906
  856    HB3  HIS 110           1HB      HIS 110  13.376  19.226  -7.584
  857    HD1  HIS 110           1HD      HIS 110  16.785  18.053  -8.778
  858    HD2  HIS 110           2HD      HIS 110  12.826  18.205 -10.047
  859    HE1  HIS 110           1HE      HIS 110  16.798  17.217 -11.152
  860    HE2  HIS 110           2HE      HIS 110  14.360  17.049 -11.774
  861    H    HIS 111           HN       HIS 111  15.132  21.929  -5.637
  862    HA   HIS 111           HA       HIS 111  13.874  23.571  -7.591
  863    HB2  HIS 111           2HB      HIS 111  13.776  23.852  -5.055
  864    HB3  HIS 111           1HB      HIS 111  15.381  24.564  -5.167
  865    HD1  HIS 111           1HD      HIS 111  11.922  25.478  -5.131
  866    HD2  HIS 111           2HD      HIS 111  15.320  26.924  -7.047
  867    HE1  HIS 111           1HE      HIS 111  11.354  27.819  -5.851
  868    HE2  HIS 111           2HE      HIS 111  13.371  28.623  -7.130
  869    H    HIS 112           HN       HIS 112  17.203  23.193  -6.501
  870    HA   HIS 112           HA       HIS 112  18.159  25.116  -8.447
  871    HB2  HIS 112           2HB      HIS 112  19.226  24.735  -6.118
  872    HB3  HIS 112           1HB      HIS 112  19.898  23.264  -6.811
  873    HD1  HIS 112           1HD      HIS 112  20.165  26.988  -6.942
  874    HD2  HIS 112           2HD      HIS 112  21.999  23.659  -8.637
  875    HE1  HIS 112           1HE      HIS 112  22.243  27.853  -8.068
  876    HE2  HIS 112           2HE      HIS 112  23.429  25.797  -8.908
  877    H    HIS 113           HN       HIS 113  16.906  23.759  -9.903
  878    HA   HIS 113           HA       HIS 113  17.190  21.213 -10.692
  879    HB2  HIS 113           2HB      HIS 113  15.841  23.245 -11.696
  880    HB3  HIS 113           1HB      HIS 113  17.149  23.249 -12.876
  881    HD1  HIS 113           1HD      HIS 113  16.910  21.638 -14.795
  882    HD2  HIS 113           2HD      HIS 113  14.451  20.672 -11.577
  883    HE1  HIS 113           1HE      HIS 113  15.472  19.735 -15.582
  884    HE2  HIS 113           2HE      HIS 113  13.865  19.297 -13.689
  885    H    HIS 114           HN       HIS 114  19.369  23.824 -11.732
  886    HA   HIS 114           HA       HIS 114  21.564  23.798 -12.307
  887    HB2  HIS 114           2HB      HIS 114  21.916  22.081 -10.600
  888    HB3  HIS 114           1HB      HIS 114  21.436  20.828 -11.737
  889    HD1  HIS 114           1HD      HIS 114  23.541  19.541 -12.089
  890    HD2  HIS 114           2HD      HIS 114  24.136  23.654 -12.359
  891    HE1  HIS 114           1HE      HIS 114  25.926  19.840 -12.837
  892    HE2  HIS 114           2HE      HIS 114  26.206  22.325 -13.158
  893    H    HIS 115           HN       HIS 115  19.806  21.028 -13.670
  894    HA   HIS 115           HA       HIS 115  20.573  22.009 -16.328
  895    HB2  HIS 115           2HB      HIS 115  21.968  20.034 -15.783
  896    HB3  HIS 115           1HB      HIS 115  20.507  19.092 -15.506
  897    HD1  HIS 115           1HD      HIS 115  22.122  21.052 -18.343
  898    HD2  HIS 115           2HD      HIS 115  19.656  17.764 -17.713
  899    HE1  HIS 115           1HE      HIS 115  21.736  20.044 -20.615
  900    HE2  HIS 115           2HE      HIS 115  20.093  18.172 -20.229
  Start of MODEL   16
    1    H1   MET   1           H1       MET   1 -14.683   0.614  18.351
    2    H2   MET   1           H2       MET   1 -15.724   1.157  17.134
    3    H3   MET   1           H3       MET   1 -14.053   1.109  16.859
    4    HA   MET   1           HA       MET   1 -15.805  -1.235  17.312
    5    HB2  MET   1           2HB      MET   1 -14.369  -0.297  14.815
    6    HB3  MET   1           1HB      MET   1 -15.248  -1.810  14.970
    7    HG2  MET   1           2HG      MET   1 -16.449   0.938  15.204
    8    HG3  MET   1           1HG      MET   1 -16.518  -0.091  13.775
    9    HE1  MET   1           2HE      MET   1 -19.115   0.044  13.614
   10    HE2  MET   1           3HE      MET   1 -19.132   1.152  14.988
   11    HE3  MET   1           1HE      MET   1 -20.204  -0.248  14.970
   12    H    GLN   2           HN       GLN   2 -14.735  -3.260  17.250
   13    HA   GLN   2           HA       GLN   2 -12.003  -3.246  18.123
   14    HB2  GLN   2           2HB      GLN   2 -14.129  -5.298  17.740
   15    HB3  GLN   2           1HB      GLN   2 -12.461  -5.841  17.731
   16    HG2  GLN   2           2HG      GLN   2 -13.343  -6.070  19.939
   17    HG3  GLN   2           1HG      GLN   2 -12.139  -4.785  19.935
   18   HE21  GLN   2          1HE2      GLN   2 -12.905  -3.731  21.703
   19   HE22  GLN   2          2HE2      GLN   2 -14.429  -2.905  21.740
   20    H    ALA   3           HN       ALA   3 -10.601  -5.105  16.999
   21    HA   ALA   3           HA       ALA   3 -10.440  -4.265  14.194
   22    HB1  ALA   3           1HB      ALA   3  -8.334  -5.541  15.942
   23    HB2  ALA   3           2HB      ALA   3  -8.454  -3.821  15.571
   24    HB3  ALA   3           3HB      ALA   3  -8.105  -4.980  14.286
   25    H    ILE   4           HN       ILE   4 -10.910  -5.617  12.660
   26    HA   ILE   4           HA       ILE   4 -11.924  -8.193  13.053
   27    HB   ILE   4           HB       ILE   4 -10.737  -7.040  10.524
   28   HG12  ILE   4          2HG1      ILE   4 -13.589  -6.993  11.529
   29   HG13  ILE   4          1HG1      ILE   4 -12.497  -5.614  11.497
   30   HG21  ILE   4          1HG2      ILE   4 -12.695  -9.300  10.931
   31   HG22  ILE   4          2HG2      ILE   4 -11.027  -9.444  10.374
   32   HG23  ILE   4          3HG2      ILE   4 -12.223  -8.622   9.374
   33   HD11  ILE   4          3HD1      ILE   4 -14.040  -5.505   9.652
   34   HD12  ILE   4          1HD1      ILE   4 -13.554  -7.112   9.111
   35   HD13  ILE   4          2HD1      ILE   4 -12.406  -5.777   9.048
   36    H    THR   5           HN       THR   5  -8.681  -7.043  12.553
   37    HA   THR   5           HA       THR   5  -7.386  -9.365  11.742
   38    HB   THR   5           HB       THR   5  -5.422  -8.284  13.103
   39    HG1  THR   5           1HG      THR   5  -6.015  -6.575  14.214
   40   HG21  THR   5          3HG2      THR   5  -6.728  -6.836  10.793
   41   HG22  THR   5          1HG2      THR   5  -5.659  -8.234  10.657
   42   HG23  THR   5          2HG2      THR   5  -5.038  -6.706  11.281
   43    H    GLU   6           HN       GLU   6  -8.396  -8.310  14.947
   44    HA   GLU   6           HA       GLU   6  -6.909 -10.038  16.535
   45    HB2  GLU   6           2HB      GLU   6  -9.720  -9.026  17.014
   46    HB3  GLU   6           1HB      GLU   6  -8.647  -9.687  18.239
   47    HG2  GLU   6           2HG      GLU   6  -7.099  -7.848  17.907
   48    HG3  GLU   6           1HG      GLU   6  -8.127  -7.198  16.632
   49    H    ARG   7           HN       ARG   7 -10.160 -10.516  15.166
   50    HA   ARG   7           HA       ARG   7 -10.360 -13.176  16.207
   51    HB2  ARG   7           2HB      ARG   7 -12.445 -13.314  14.931
   52    HB3  ARG   7           1HB      ARG   7 -12.365 -11.826  15.859
   53    HG2  ARG   7           2HG      ARG   7 -11.646 -10.645  13.794
   54    HG3  ARG   7           1HG      ARG   7 -11.917 -12.143  12.901
   55    HD2  ARG   7           2HD      ARG   7 -13.841 -10.709  12.670
   56    HD3  ARG   7           1HD      ARG   7 -14.273 -12.115  13.641
   57    HE   ARG   7           HE       ARG   7 -13.657 -10.354  15.545
   58   HH11  ARG   7          1HH1      ARG   7 -15.553  -9.924  12.632
   59   HH12  ARG   7          2HH1      ARG   7 -16.627  -8.755  13.349
   60   HH21  ARG   7          1HH2      ARG   7 -15.066  -8.845  16.501
   61   HH22  ARG   7          2HH2      ARG   7 -16.357  -8.152  15.567
   62    H    LEU   8           HN       LEU   8  -9.322 -11.758  13.177
   63    HA   LEU   8           HA       LEU   8  -9.405 -14.137  11.644
   64    HB2  LEU   8           2HB      LEU   8  -7.753 -11.644  11.278
   65    HB3  LEU   8           1HB      LEU   8  -7.859 -12.940  10.104
   66    HG   LEU   8           HG       LEU   8 -10.106 -11.139  11.000
   67   HD11  LEU   8          1HD1      LEU   8  -8.563 -10.064   9.475
   68   HD12  LEU   8          2HD1      LEU   8 -10.082 -10.413   8.651
   69   HD13  LEU   8          3HD1      LEU   8  -8.669 -11.432   8.366
   70   HD21  LEU   8          3HD2      LEU   8 -11.466 -12.308   9.329
   71   HD22  LEU   8          1HD2      LEU   8 -10.949 -13.386  10.627
   72   HD23  LEU   8          2HD2      LEU   8 -10.144 -13.445   9.058
   73    H    GLU   9           HN       GLU   9  -6.886 -12.676  13.650
   74    HA   GLU   9           HA       GLU   9  -4.719 -14.244  12.933
   75    HB2  GLU   9           2HB      GLU   9  -5.497 -13.075  15.596
   76    HB3  GLU   9           1HB      GLU   9  -3.964 -13.894  15.333
   77    HG2  GLU   9           2HG      GLU   9  -4.855 -11.561  13.670
   78    HG3  GLU   9           1HG      GLU   9  -3.959 -11.373  15.175
   79    H    ALA  10           HN       ALA  10  -7.403 -15.024  15.079
   80    HA   ALA  10           HA       ALA  10  -6.350 -17.472  16.054
   81    HB1  ALA  10           1HB      ALA  10  -8.183 -16.302  17.169
   82    HB2  ALA  10           2HB      ALA  10  -8.637 -17.955  16.756
   83    HB3  ALA  10           3HB      ALA  10  -9.229 -16.610  15.783
   84    H    MET  11           HN       MET  11  -8.326 -16.618  13.263
   85    HA   MET  11           HA       MET  11  -8.847 -19.277  12.409
   86    HB2  MET  11           2HB      MET  11 -10.237 -17.403  11.681
   87    HB3  MET  11           1HB      MET  11  -8.861 -16.675  10.863
   88    HG2  MET  11           2HG      MET  11  -8.772 -18.559   9.321
   89    HG3  MET  11           1HG      MET  11 -10.133 -19.309  10.151
   90    HE1  MET  11           3HE      MET  11 -12.608 -18.350  10.115
   91    HE2  MET  11           1HE      MET  11 -13.039 -16.808   9.375
   92    HE3  MET  11           2HE      MET  11 -11.995 -16.844  10.798
   93    H    LEU  12           HN       LEU  12  -6.364 -16.888  11.633
   94    HA   LEU  12           HA       LEU  12  -5.022 -18.308   9.627
   95    HB2  LEU  12           2HB      LEU  12  -4.286 -16.164  11.550
   96    HB3  LEU  12           1HB      LEU  12  -2.973 -17.013  10.762
   97    HG   LEU  12           HG       LEU  12  -3.503 -14.957   9.578
   98   HD11  LEU  12          1HD1      LEU  12  -4.339 -17.407   8.046
   99   HD12  LEU  12          2HD1      LEU  12  -2.686 -16.840   8.290
  100   HD13  LEU  12          3HD1      LEU  12  -3.819 -15.874   7.345
  101   HD21  LEU  12          3HD2      LEU  12  -6.241 -16.143   9.163
  102   HD22  LEU  12          1HD2      LEU  12  -5.634 -14.646   8.452
  103   HD23  LEU  12          2HD2      LEU  12  -5.855 -14.767  10.198
  104    H    ALA  13           HN       ALA  13  -4.856 -18.513  13.124
  105    HA   ALA  13           HA       ALA  13  -2.546 -20.185  13.219
  106    HB1  ALA  13           1HB      ALA  13  -3.198 -18.733  15.080
  107    HB2  ALA  13           2HB      ALA  13  -3.046 -20.416  15.581
  108    HB3  ALA  13           3HB      ALA  13  -4.643 -19.711  15.333
  109    H    GLN  14           HN       GLN  14  -5.675 -20.847  12.242
  110    HA   GLN  14           HA       GLN  14  -5.672 -23.595  13.224
  111    HB2  GLN  14           2HB      GLN  14  -7.659 -22.108  11.497
  112    HB3  GLN  14           1HB      GLN  14  -7.856 -23.762  12.057
  113    HG2  GLN  14           2HG      GLN  14  -7.684 -21.310  13.793
  114    HG3  GLN  14           1HG      GLN  14  -9.145 -22.222  13.414
  115   HE21  GLN  14          1HE2      GLN  14  -6.211 -22.140  15.242
  116   HE22  GLN  14          2HE2      GLN  14  -6.571 -23.480  16.277
  117    H    GLY  15           HN       GLY  15  -4.043 -22.104  10.891
  118    HA2  GLY  15           2HA      GLY  15  -2.827 -23.057   9.144
  119    HA3  GLY  15           1HA      GLY  15  -3.815 -24.506   9.280
  120    H    THR  16           HN       THR  16  -4.939 -21.205   8.891
  121    HA   THR  16           HA       THR  16  -5.921 -21.867   6.211
  122    HB   THR  16           HB       THR  16  -7.571 -20.348   8.240
  123    HG1  THR  16           1HG      THR  16  -7.450 -23.130   7.686
  124   HG21  THR  16          3HG2      THR  16  -8.113 -19.933   5.890
  125   HG22  THR  16          1HG2      THR  16  -9.405 -20.826   6.690
  126   HG23  THR  16          2HG2      THR  16  -8.287 -21.668   5.619
  127    H    ASP  17           HN       ASP  17  -4.395 -20.577   5.234
  128    HA   ASP  17           HA       ASP  17  -4.138 -17.790   6.067
  129    HB2  ASP  17           2HB      ASP  17  -2.627 -19.481   4.076
  130    HB3  ASP  17           1HB      ASP  17  -2.387 -17.744   4.221
  131    H    ASN  18           HN       ASN  18  -5.040 -19.691   3.212
  132    HA   ASN  18           HA       ASN  18  -6.208 -19.193   1.327
  133    HB2  ASN  18           2HB      ASN  18  -7.359 -17.025   3.105
  134    HB3  ASN  18           1HB      ASN  18  -7.980 -17.424   1.507
  135   HD21  ASN  18          1HD2      ASN  18  -9.344 -17.558   4.052
  136   HD22  ASN  18          2HD2      ASN  18  -9.847 -19.200   4.252
  137    H    MET  19           HN       MET  19  -6.980 -16.657   0.244
  138    HA   MET  19           HA       MET  19  -4.333 -15.434  -0.180
  139    HB2  MET  19           2HB      MET  19  -5.175 -16.389  -2.228
  140    HB3  MET  19           1HB      MET  19  -6.728 -15.586  -2.018
  141    HG2  MET  19           2HG      MET  19  -5.347 -14.489  -3.706
  142    HG3  MET  19           1HG      MET  19  -5.696 -13.425  -2.347
  143    HE1  MET  19           3HE      MET  19  -2.133 -12.214  -3.372
  144    HE2  MET  19           1HE      MET  19  -3.806 -11.753  -3.047
  145    HE3  MET  19           2HE      MET  19  -3.421 -12.746  -4.454
  146    H    LEU  20           HN       LEU  20  -7.791 -14.576  -0.251
  147    HA   LEU  20           HA       LEU  20  -7.321 -11.786  -0.049
  148    HB2  LEU  20           2HB      LEU  20  -9.368 -13.063  -0.951
  149    HB3  LEU  20           1HB      LEU  20  -9.873 -13.192   0.720
  150    HG   LEU  20           HG       LEU  20 -10.910 -11.332  -0.669
  151   HD11  LEU  20          1HD1      LEU  20  -9.530 -10.608   1.907
  152   HD12  LEU  20          2HD1      LEU  20 -11.111 -11.372   1.744
  153   HD13  LEU  20          3HD1      LEU  20 -10.866  -9.720   1.175
  154   HD21  LEU  20          3HD2      LEU  20  -8.901 -10.574  -1.799
  155   HD22  LEU  20          1HD2      LEU  20  -8.187 -10.111  -0.254
  156   HD23  LEU  20          2HD2      LEU  20  -9.611  -9.265  -0.855
  157    H    LEU  21           HN       LEU  21  -7.806 -14.335   2.261
  158    HA   LEU  21           HA       LEU  21  -8.536 -12.841   4.510
  159    HB2  LEU  21           2HB      LEU  21  -8.711 -15.292   4.307
  160    HB3  LEU  21           1HB      LEU  21  -6.964 -15.413   4.391
  161    HG   LEU  21           HG       LEU  21  -7.016 -14.499   6.678
  162   HD11  LEU  21          1HD1      LEU  21 -10.007 -14.587   6.300
  163   HD12  LEU  21          2HD1      LEU  21  -9.016 -13.149   6.548
  164   HD13  LEU  21          3HD1      LEU  21  -9.186 -14.337   7.841
  165   HD21  LEU  21          3HD2      LEU  21  -7.057 -16.914   6.322
  166   HD22  LEU  21          1HD2      LEU  21  -8.818 -16.881   6.251
  167   HD23  LEU  21          2HD2      LEU  21  -7.988 -16.467   7.749
  168    H    ARG  22           HN       ARG  22  -5.294 -14.129   3.708
  169    HA   ARG  22           HA       ARG  22  -3.991 -12.902   5.854
  170    HB2  ARG  22           2HB      ARG  22  -1.887 -13.342   4.539
  171    HB3  ARG  22           1HB      ARG  22  -2.920 -14.739   4.809
  172    HG2  ARG  22           2HG      ARG  22  -3.871 -14.254   2.486
  173    HG3  ARG  22           1HG      ARG  22  -2.470 -13.200   2.279
  174    HD2  ARG  22           2HD      ARG  22  -2.170 -16.048   3.174
  175    HD3  ARG  22           1HD      ARG  22  -2.301 -15.636   1.467
  176    HE   ARG  22           HE       ARG  22  -0.278 -14.208   1.869
  177   HH11  ARG  22          1HH1      ARG  22  -0.961 -16.905   3.966
  178   HH12  ARG  22          2HH1      ARG  22   0.705 -17.304   4.238
  179   HH21  ARG  22          1HH2      ARG  22   1.940 -14.730   2.185
  180   HH22  ARG  22          2HH2      ARG  22   2.367 -16.069   3.211
  181    H    PHE  23           HN       PHE  23  -4.804 -11.618   2.702
  182    HA   PHE  23           HA       PHE  23  -3.106  -9.338   2.838
  183    HB2  PHE  23           2HB      PHE  23  -4.048 -10.034   0.706
  184    HB3  PHE  23           1HB      PHE  23  -5.683  -9.786   1.312
  185    HD1  PHE  23           1HD      PHE  23  -2.529  -8.031   0.490
  186    HD2  PHE  23           2HD      PHE  23  -6.716  -7.691   1.154
  187    HE1  PHE  23           1HE      PHE  23  -2.457  -5.705  -0.296
  188    HE2  PHE  23           2HE      PHE  23  -6.653  -5.358   0.370
  189    HZ   PHE  23           HZ       PHE  23  -4.519  -4.363  -0.354
  190    H    THR  24           HN       THR  24  -6.393 -10.008   3.870
  191    HA   THR  24           HA       THR  24  -7.256  -7.415   4.397
  192    HB   THR  24           HB       THR  24  -8.058  -9.994   5.754
  193    HG1  THR  24           1HG      THR  24  -8.468 -10.055   3.539
  194   HG21  THR  24          3HG2      THR  24 -10.148  -8.833   6.311
  195   HG22  THR  24          1HG2      THR  24  -9.494  -7.337   5.648
  196   HG23  THR  24          2HG2      THR  24  -8.761  -8.062   7.079
  197    H    LEU  25           HN       LEU  25  -5.397  -9.637   6.422
  198    HA   LEU  25           HA       LEU  25  -5.594  -8.124   8.803
  199    HB2  LEU  25           2HB      LEU  25  -3.586 -10.154   7.863
  200    HB3  LEU  25           1HB      LEU  25  -3.413  -9.336   9.402
  201    HG   LEU  25           HG       LEU  25  -5.766 -10.225   9.929
  202   HD11  LEU  25          1HD1      LEU  25  -6.375 -10.918   7.682
  203   HD12  LEU  25          2HD1      LEU  25  -6.369 -12.296   8.784
  204   HD13  LEU  25          3HD1      LEU  25  -5.033 -12.062   7.657
  205   HD21  LEU  25          3HD2      LEU  25  -3.447 -12.130   9.671
  206   HD22  LEU  25          1HD2      LEU  25  -4.849 -12.340  10.721
  207   HD23  LEU  25          2HD2      LEU  25  -3.727 -11.008  11.001
  208    H    GLY  26           HN       GLY  26  -3.269  -8.074   6.135
  209    HA2  GLY  26           2HA      GLY  26  -1.305  -6.511   7.403
  210    HA3  GLY  26           1HA      GLY  26  -1.496  -6.687   5.666
  211    H    LYS  27           HN       LYS  27  -3.935  -5.517   5.219
  212    HA   LYS  27           HA       LYS  27  -3.234  -2.795   5.185
  213    HB2  LYS  27           2HB      LYS  27  -5.578  -2.440   4.391
  214    HB3  LYS  27           1HB      LYS  27  -4.662  -3.620   3.470
  215    HG2  LYS  27           2HG      LYS  27  -5.849  -5.422   4.413
  216    HG3  LYS  27           1HG      LYS  27  -6.558  -4.397   5.664
  217    HD2  LYS  27           2HD      LYS  27  -7.074  -4.044   2.716
  218    HD3  LYS  27           1HD      LYS  27  -8.107  -4.995   3.784
  219    HE2  LYS  27           2HE      LYS  27  -7.455  -2.077   4.163
  220    HE3  LYS  27           1HE      LYS  27  -8.930  -2.689   3.421
  221    HZ1  LYS  27           3HZ      LYS  27  -8.073  -3.337   6.189
  222    HZ2  LYS  27           1HZ      LYS  27  -9.553  -3.729   5.468
  223    HZ3  LYS  27           2HZ      LYS  27  -9.168  -2.109   5.800
  224    H    THR  28           HN       THR  28  -5.249  -4.665   7.357
  225    HA   THR  28           HA       THR  28  -6.462  -2.454   8.655
  226    HB   THR  28           HB       THR  28  -6.050  -5.233   9.775
  227    HG1  THR  28           1HG      THR  28  -7.205  -5.718   8.031
  228   HG21  THR  28          3HG2      THR  28  -8.140  -3.119  10.331
  229   HG22  THR  28          1HG2      THR  28  -6.840  -3.606  11.418
  230   HG23  THR  28          2HG2      THR  28  -8.123  -4.744  11.012
  231    H    TYR  29           HN       TYR  29  -3.524  -4.332   9.249
  232    HA   TYR  29           HA       TYR  29  -2.944  -3.135  11.756
  233    HB2  TYR  29           2HB      TYR  29  -1.254  -4.639   9.770
  234    HB3  TYR  29           1HB      TYR  29  -0.558  -3.936  11.227
  235    HD1  TYR  29           1HD      TYR  29  -2.290  -4.459  13.353
  236    HD2  TYR  29           2HD      TYR  29  -1.554  -6.925   9.969
  237    HE1  TYR  29           1HE      TYR  29  -2.963  -6.430  14.655
  238    HE2  TYR  29           2HE      TYR  29  -2.236  -8.910  11.257
  239    HH   TYR  29           HH       TYR  29  -2.474  -9.655  13.539
  240    H    ALA  30           HN       ALA  30  -2.154  -2.290   8.431
  241    HA   ALA  30           HA       ALA  30  -0.308  -0.237   8.985
  242    HB1  ALA  30           1HB      ALA  30  -0.603  -1.200   6.751
  243    HB2  ALA  30           2HB      ALA  30  -0.770   0.555   6.725
  244    HB3  ALA  30           3HB      ALA  30  -2.205  -0.468   6.647
  245    H    GLU  31           HN       GLU  31  -3.821  -0.175   8.526
  246    HA   GLU  31           HA       GLU  31  -4.126   2.613   8.916
  247    HB2  GLU  31           2HB      GLU  31  -6.016   0.285   8.991
  248    HB3  GLU  31           1HB      GLU  31  -6.561   1.900   9.418
  249    HG2  GLU  31           2HG      GLU  31  -5.234   1.216   6.807
  250    HG3  GLU  31           1HG      GLU  31  -6.979   1.234   7.051
  251    H    HIS  32           HN       HIS  32  -3.714  -0.006  11.105
  252    HA   HIS  32           HA       HIS  32  -4.740   1.526  13.363
  253    HB2  HIS  32           2HB      HIS  32  -4.545  -1.208  12.807
  254    HB3  HIS  32           1HB      HIS  32  -3.363  -0.916  14.078
  255    HD1  HIS  32           1HD      HIS  32  -4.342   0.205  16.328
  256    HD2  HIS  32           2HD      HIS  32  -7.153  -1.274  13.634
  257    HE1  HIS  32           1HE      HIS  32  -6.478  -0.032  17.633
  258    HE2  HIS  32           2HE      HIS  32  -8.168  -0.944  16.001
  259    H    GLU  33           HN       GLU  33  -2.195   2.065  11.714
  260    HA   GLU  33           HA       GLU  33  -0.256   3.168  12.113
  261    HB2  GLU  33           2HB      GLU  33  -1.685   4.172  13.981
  262    HB3  GLU  33           1HB      GLU  33  -0.866   3.058  15.066
  263    HG2  GLU  33           2HG      GLU  33   1.290   4.063  14.419
  264    HG3  GLU  33           1HG      GLU  33   0.424   5.214  13.404
  265    H    GLN  34           HN       GLN  34  -0.531   0.177  12.309
  266    HA   GLN  34           HA       GLN  34   2.090  -0.313  13.573
  267    HB2  GLN  34           2HB      GLN  34   0.039  -1.492  14.568
  268    HB3  GLN  34           1HB      GLN  34  -0.013  -2.420  13.075
  269    HG2  GLN  34           2HG      GLN  34   2.167  -3.336  13.503
  270    HG3  GLN  34           1HG      GLN  34   2.361  -2.309  14.923
  271   HE21  GLN  34          1HE2      GLN  34   0.813  -5.118  13.605
  272   HE22  GLN  34          2HE2      GLN  34   0.239  -5.760  15.102
  273    H    PHE  35           HN       PHE  35   1.950   0.787  11.150
  274    HA   PHE  35           HA       PHE  35   1.645  -0.828   8.906
  275    HB2  PHE  35           2HB      PHE  35   3.264   0.945   7.891
  276    HB3  PHE  35           1HB      PHE  35   1.661   1.432   8.423
  277    HD1  PHE  35           2HD      PHE  35   5.252   1.481   9.261
  278    HD2  PHE  35           1HD      PHE  35   1.377   2.967  10.212
  279    HE1  PHE  35           2HE      PHE  35   6.265   3.184  10.724
  280    HE2  PHE  35           1HE      PHE  35   2.383   4.674  11.665
  281    HZ   PHE  35           HZ       PHE  35   4.829   4.783  11.925
  282    H    ASP  36           HN       ASP  36   4.401  -0.377  11.002
  283    HA   ASP  36           HA       ASP  36   6.441  -1.433   9.431
  284    HB2  ASP  36           2HB      ASP  36   6.717  -0.393  11.694
  285    HB3  ASP  36           1HB      ASP  36   6.091  -1.873  12.403
  286    H    ALA  37           HN       ALA  37   4.192  -3.083  11.589
  287    HA   ALA  37           HA       ALA  37   5.185  -5.707  11.018
  288    HB1  ALA  37           1HB      ALA  37   2.601  -4.872  12.330
  289    HB2  ALA  37           2HB      ALA  37   4.128  -5.181  13.159
  290    HB3  ALA  37           3HB      ALA  37   3.290  -6.496  12.334
  291    H    ALA  38           HN       ALA  38   2.778  -3.611   9.685
  292    HA   ALA  38           HA       ALA  38   1.214  -5.523   8.325
  293    HB1  ALA  38           1HB      ALA  38   0.480  -3.219   8.765
  294    HB2  ALA  38           2HB      ALA  38   0.344  -3.651   7.060
  295    HB3  ALA  38           3HB      ALA  38   1.674  -2.631   7.609
  296    H    LEU  39           HN       LEU  39   4.166  -3.802   7.476
  297    HA   LEU  39           HA       LEU  39   4.129  -4.050   4.727
  298    HB2  LEU  39           2HB      LEU  39   6.360  -3.900   6.711
  299    HB3  LEU  39           1HB      LEU  39   6.717  -4.135   5.014
  300    HG   LEU  39           HG       LEU  39   5.115  -1.815   6.089
  301   HD11  LEU  39          1HD1      LEU  39   7.139  -0.487   5.674
  302   HD12  LEU  39          2HD1      LEU  39   8.020  -1.964   5.288
  303   HD13  LEU  39          3HD1      LEU  39   7.397  -1.709   6.918
  304   HD21  LEU  39          3HD2      LEU  39   5.475  -0.864   3.880
  305   HD22  LEU  39          1HD2      LEU  39   4.643  -2.415   3.757
  306   HD23  LEU  39          2HD2      LEU  39   6.364  -2.306   3.389
  307    HA   PRO  40           HA       PRO  40   6.480  -8.263   4.875
  308    HB2  PRO  40           2HB      PRO  40   6.200  -9.730   7.177
  309    HB3  PRO  40           1HB      PRO  40   7.599  -8.726   6.799
  310    HG2  PRO  40           2HG      PRO  40   5.270  -8.137   8.559
  311    HG3  PRO  40           1HG      PRO  40   6.980  -7.727   8.781
  312    HD2  PRO  40           2HD      PRO  40   5.146  -5.920   7.941
  313    HD3  PRO  40           1HD      PRO  40   6.844  -5.871   7.424
  314    H    HIS  41           HN       HIS  41   3.518  -7.876   6.729
  315    HA   HIS  41           HA       HIS  41   2.427 -10.421   6.036
  316    HB2  HIS  41           2HB      HIS  41   1.808  -8.627   7.951
  317    HB3  HIS  41           1HB      HIS  41   0.581  -8.212   6.757
  318    HD1  HIS  41           1HD      HIS  41  -1.025 -10.287   6.018
  319    HD2  HIS  41           2HD      HIS  41   1.245 -10.824   9.460
  320    HE1  HIS  41           1HE      HIS  41  -2.071 -12.226   7.224
  321    HE2  HIS  41           2HE      HIS  41  -0.792 -12.419   9.387
  322    H    LEU  42           HN       LEU  42   2.172  -7.159   4.722
  323    HA   LEU  42           HA       LEU  42   0.138  -7.764   2.823
  324    HB2  LEU  42           2HB      LEU  42   2.133  -5.522   3.045
  325    HB3  LEU  42           1HB      LEU  42   0.986  -5.623   1.725
  326    HG   LEU  42           HG       LEU  42   0.231  -5.452   4.643
  327   HD11  LEU  42          1HD1      LEU  42   1.279  -3.391   3.884
  328   HD12  LEU  42          2HD1      LEU  42  -0.458  -3.160   4.099
  329   HD13  LEU  42          3HD1      LEU  42   0.213  -3.350   2.480
  330   HD21  LEU  42          3HD2      LEU  42  -1.410  -6.624   3.259
  331   HD22  LEU  42          1HD2      LEU  42  -1.432  -5.266   2.133
  332   HD23  LEU  42          2HD2      LEU  42  -2.019  -5.052   3.782
  333    H    ARG  43           HN       ARG  43   3.668  -7.466   2.573
  334    HA   ARG  43           HA       ARG  43   3.815  -8.054  -0.175
  335    HB2  ARG  43           2HB      ARG  43   5.678  -7.013   1.018
  336    HB3  ARG  43           1HB      ARG  43   5.897  -8.467   1.986
  337    HG2  ARG  43           2HG      ARG  43   6.575  -9.721   0.067
  338    HG3  ARG  43           1HG      ARG  43   6.169  -8.383  -1.007
  339    HD2  ARG  43           2HD      ARG  43   7.968  -7.078  -0.221
  340    HD3  ARG  43           1HD      ARG  43   8.234  -8.140   1.163
  341    HE   ARG  43           HE       ARG  43   9.112  -9.795  -0.343
  342   HH11  ARG  43          1HH1      ARG  43   8.652  -6.610  -1.758
  343   HH12  ARG  43          2HH1      ARG  43   9.745  -6.912  -3.080
  344   HH21  ARG  43          1HH2      ARG  43  10.568 -10.159  -2.029
  345   HH22  ARG  43          2HH2      ARG  43  10.876  -8.914  -3.205
  346    H    ALA  44           HN       ALA  44   3.620 -10.101   2.660
  347    HA   ALA  44           HA       ALA  44   4.364 -12.550   1.525
  348    HB1  ALA  44           1HB      ALA  44   3.166 -13.580   3.366
  349    HB2  ALA  44           2HB      ALA  44   2.342 -12.057   3.702
  350    HB3  ALA  44           3HB      ALA  44   4.086 -12.186   3.928
  351    H    ALA  45           HN       ALA  45   1.321 -10.800   1.404
  352    HA   ALA  45           HA       ALA  45  -0.216 -12.921   0.283
  353    HB1  ALA  45           1HB      ALA  45  -0.660  -9.940   0.133
  354    HB2  ALA  45           2HB      ALA  45  -1.278 -11.019   1.385
  355    HB3  ALA  45           3HB      ALA  45  -1.844 -11.181  -0.279
  356    H    LEU  46           HN       LEU  46   1.505 -10.154  -1.083
  357    HA   LEU  46           HA       LEU  46   0.824 -10.623  -3.778
  358    HB2  LEU  46           2HB      LEU  46   3.069  -9.085  -2.502
  359    HB3  LEU  46           1HB      LEU  46   2.837  -9.147  -4.238
  360    HG   LEU  46           HG       LEU  46   0.850  -8.058  -2.245
  361   HD11  LEU  46          1HD1      LEU  46   1.395  -5.894  -3.257
  362   HD12  LEU  46          2HD1      LEU  46   2.649  -6.669  -4.224
  363   HD13  LEU  46          3HD1      LEU  46   2.792  -6.623  -2.467
  364   HD21  LEU  46          3HD2      LEU  46  -0.223  -9.067  -4.200
  365   HD22  LEU  46          1HD2      LEU  46   0.791  -8.091  -5.262
  366   HD23  LEU  46          2HD2      LEU  46  -0.389  -7.312  -4.209
  367    H    ASP  47           HN       ASP  47   3.209 -12.049  -1.731
  368    HA   ASP  47           HA       ASP  47   5.143 -12.854  -3.556
  369    HB2  ASP  47           2HB      ASP  47   5.300 -13.126  -1.090
  370    HB3  ASP  47           1HB      ASP  47   4.141 -14.446  -1.186
  371    H    PHE  48           HN       PHE  48   2.094 -14.367  -2.692
  372    HA   PHE  48           HA       PHE  48   2.520 -16.604  -4.458
  373    HB2  PHE  48           2HB      PHE  48   0.140 -15.742  -2.815
  374    HB3  PHE  48           1HB      PHE  48   0.157 -17.192  -3.815
  375    HD1  PHE  48           1HD      PHE  48   1.485 -19.113  -3.195
  376    HD2  PHE  48           2HD      PHE  48   1.411 -15.621  -0.768
  377    HE1  PHE  48           1HE      PHE  48   2.494 -20.386  -1.348
  378    HE2  PHE  48           2HE      PHE  48   2.421 -16.882   1.088
  379    HZ   PHE  48           HZ       PHE  48   2.964 -19.271   0.799
  380    H    ASP  49           HN       ASP  49   0.642 -13.608  -4.513
  381    HA   ASP  49           HA       ASP  49   0.291 -13.960  -7.384
  382    HB2  ASP  49           2HB      ASP  49  -1.784 -14.838  -6.150
  383    HB3  ASP  49           1HB      ASP  49  -2.100 -13.154  -5.741
  384    HA   PRO  50           HA       PRO  50   1.724  -9.773  -6.289
  385    HB2  PRO  50           2HB      PRO  50   2.853  -9.797  -8.984
  386    HB3  PRO  50           1HB      PRO  50   3.674  -9.649  -7.430
  387    HG2  PRO  50           2HG      PRO  50   3.872 -11.857  -8.978
  388    HG3  PRO  50           1HG      PRO  50   3.952 -11.913  -7.210
  389    HD2  PRO  50           2HD      PRO  50   1.670 -12.578  -9.024
  390    HD3  PRO  50           1HD      PRO  50   2.212 -13.398  -7.545
  391    H    THR  51           HN       THR  51  -0.576 -10.836  -8.454
  392    HA   THR  51           HA       THR  51  -0.703  -8.461 -10.100
  393    HB   THR  51           HB       THR  51  -2.971 -10.299 -10.272
  394    HG1  THR  51           1HG      THR  51  -1.559 -11.923  -9.779
  395   HG21  THR  51          3HG2      THR  51  -2.481  -8.642 -11.981
  396   HG22  THR  51          1HG2      THR  51  -2.325 -10.265 -12.654
  397   HG23  THR  51          2HG2      THR  51  -0.882  -9.344 -12.231
  398    H    TYR  52           HN       TYR  52  -1.520  -8.713  -7.031
  399    HA   TYR  52           HA       TYR  52  -4.272  -7.837  -7.169
  400    HB2  TYR  52           2HB      TYR  52  -3.146  -9.234  -5.279
  401    HB3  TYR  52           1HB      TYR  52  -2.595  -7.668  -4.685
  402    HD1  TYR  52           1HD      TYR  52  -5.659  -9.522  -5.666
  403    HD2  TYR  52           2HD      TYR  52  -4.013  -6.362  -3.349
  404    HE1  TYR  52           1HE      TYR  52  -7.841  -9.192  -4.584
  405    HE2  TYR  52           2HE      TYR  52  -6.189  -6.027  -2.252
  406    HH   TYR  52           HH       TYR  52  -8.535  -6.455  -2.641
  407    H    SER  53           HN       SER  53  -4.393  -5.949  -8.182
  408    HA   SER  53           HA       SER  53  -2.556  -3.901  -8.256
  409    HB2  SER  53           2HB      SER  53  -5.533  -3.550  -8.606
  410    HB3  SER  53           1HB      SER  53  -4.239  -2.652  -9.398
  411    HG   SER  53           HG       SER  53  -4.717  -4.111 -10.907
  412    H    VAL  54           HN       VAL  54  -5.165  -4.412  -5.959
  413    HA   VAL  54           HA       VAL  54  -5.254  -1.815  -4.875
  414    HB   VAL  54           HB       VAL  54  -5.857  -4.422  -3.463
  415   HG11  VAL  54          1HG1      VAL  54  -6.757  -1.603  -2.860
  416   HG12  VAL  54          2HG1      VAL  54  -5.628  -2.565  -1.906
  417   HG13  VAL  54          3HG1      VAL  54  -7.315  -3.055  -2.032
  418   HG21  VAL  54          3HG2      VAL  54  -8.178  -4.024  -4.118
  419   HG22  VAL  54          1HG2      VAL  54  -7.132  -4.206  -5.524
  420   HG23  VAL  54          2HG2      VAL  54  -7.678  -2.602  -5.032
  421    H    ALA  55           HN       ALA  55  -3.197  -4.578  -4.236
  422    HA   ALA  55           HA       ALA  55  -2.116  -3.602  -1.789
  423    HB1  ALA  55           1HB      ALA  55  -0.523  -5.423  -1.988
  424    HB2  ALA  55           2HB      ALA  55  -1.027  -5.700  -3.654
  425    HB3  ALA  55           3HB      ALA  55  -2.159  -5.981  -2.330
  426    H    TRP  56           HN       TRP  56  -1.306  -3.172  -5.154
  427    HA   TRP  56           HA       TRP  56   1.383  -2.413  -4.893
  428    HB2  TRP  56           2HB      TRP  56  -0.604  -1.337  -6.914
  429    HB3  TRP  56           1HB      TRP  56   1.147  -1.356  -7.073
  430    HD1  TRP  56           1HD      TRP  56   1.141  -4.558  -5.940
  431    HE1  TRP  56           1HE      TRP  56   0.653  -6.359  -7.708
  432    HE3  TRP  56           3HE      TRP  56  -1.098  -1.623  -9.460
  433    HZ2  TRP  56           2HZ      TRP  56  -0.536  -6.512 -10.256
  434    HZ3  TRP  56           3HZ      TRP  56  -1.889  -2.676 -11.534
  435    HH2  TRP  56           2HH      TRP  56  -1.614  -5.069 -11.923
  436    H    LYS  57           HN       LYS  57  -1.576  -0.473  -4.922
  437    HA   LYS  57           HA       LYS  57  -0.321   2.011  -4.438
  438    HB2  LYS  57           2HB      LYS  57  -2.533   1.885  -5.423
  439    HB3  LYS  57           1HB      LYS  57  -3.171   1.109  -3.990
  440    HG2  LYS  57           2HG      LYS  57  -2.771   3.146  -2.700
  441    HG3  LYS  57           1HG      LYS  57  -2.116   3.923  -4.144
  442    HD2  LYS  57           2HD      LYS  57  -4.397   4.623  -3.884
  443    HD3  LYS  57           1HD      LYS  57  -4.310   3.536  -5.269
  444    HE2  LYS  57           2HE      LYS  57  -5.049   1.682  -3.790
  445    HE3  LYS  57           1HE      LYS  57  -5.256   2.851  -2.488
  446    HZ1  LYS  57           3HZ      LYS  57  -7.365   2.587  -3.425
  447    HZ2  LYS  57           1HZ      LYS  57  -6.783   2.633  -5.016
  448    HZ3  LYS  57           2HZ      LYS  57  -6.811   4.048  -4.083
  449    H    TRP  58           HN       TRP  58  -1.568  -0.511  -2.332
  450    HA   TRP  58           HA       TRP  58  -1.446   0.935   0.094
  451    HB2  TRP  58           2HB      TRP  58  -1.717  -1.910  -0.671
  452    HB3  TRP  58           1HB      TRP  58  -1.087  -1.602   0.941
  453    HD1  TRP  58           1HD      TRP  58  -4.288  -1.772  -0.966
  454    HE1  TRP  58           1HE      TRP  58  -6.262  -1.090   0.556
  455    HE3  TRP  58           3HE      TRP  58  -1.639   0.195   2.938
  456    HZ2  TRP  58           2HZ      TRP  58  -6.623   0.123   3.078
  457    HZ3  TRP  58           3HZ      TRP  58  -2.874   1.095   4.866
  458    HH2  TRP  58           2HH      TRP  58  -5.313   1.060   4.931
  459    H    LEU  59           HN       LEU  59   0.959  -0.974  -1.647
  460    HA   LEU  59           HA       LEU  59   2.837  -1.310   0.377
  461    HB2  LEU  59           2HB      LEU  59   3.222  -0.973  -2.592
  462    HB3  LEU  59           1HB      LEU  59   4.523  -1.398  -1.498
  463    HG   LEU  59           HG       LEU  59   2.042  -3.039  -2.013
  464   HD11  LEU  59          1HD1      LEU  59   4.920  -3.483  -2.784
  465   HD12  LEU  59          2HD1      LEU  59   3.609  -3.043  -3.879
  466   HD13  LEU  59          3HD1      LEU  59   3.590  -4.607  -3.062
  467   HD21  LEU  59          3HD2      LEU  59   4.444  -3.597  -0.275
  468   HD22  LEU  59          1HD2      LEU  59   3.156  -4.744  -0.645
  469   HD23  LEU  59          2HD2      LEU  59   2.799  -3.288   0.284
  470    H    GLY  60           HN       GLY  60   2.700   1.289  -2.054
  471    HA2  GLY  60           2HA      GLY  60   4.871   2.762  -1.039
  472    HA3  GLY  60           1HA      GLY  60   3.583   3.408  -2.047
  473    H    LYS  61           HN       LYS  61   1.431   2.874  -0.303
  474    HA   LYS  61           HA       LYS  61   1.396   5.181   1.275
  475    HB2  LYS  61           2HB      LYS  61  -0.294   2.699   1.218
  476    HB3  LYS  61           1HB      LYS  61  -0.590   3.959   2.407
  477    HG2  LYS  61           2HG      LYS  61  -1.035   5.564   0.670
  478    HG3  LYS  61           1HG      LYS  61  -0.590   4.389  -0.572
  479    HD2  LYS  61           2HD      LYS  61  -3.049   4.661  -0.255
  480    HD3  LYS  61           1HD      LYS  61  -2.470   3.010  -0.034
  481    HE2  LYS  61           2HE      LYS  61  -4.080   3.551   1.690
  482    HE3  LYS  61           1HE      LYS  61  -2.481   3.362   2.406
  483    HZ1  LYS  61           3HZ      LYS  61  -2.263   5.767   2.480
  484    HZ2  LYS  61           1HZ      LYS  61  -3.659   5.268   3.306
  485    HZ3  LYS  61           2HZ      LYS  61  -3.792   5.952   1.762
  486    H    THR  62           HN       THR  62   2.005   1.815   2.120
  487    HA   THR  62           HA       THR  62   2.175   2.265   4.920
  488    HB   THR  62           HB       THR  62   3.400  -0.055   3.422
  489    HG1  THR  62           1HG      THR  62   1.265   0.088   2.714
  490   HG21  THR  62          3HG2      THR  62   3.899   0.090   5.821
  491   HG22  THR  62          1HG2      THR  62   2.857  -1.289   5.466
  492   HG23  THR  62          2HG2      THR  62   2.174   0.175   6.175
  493    H    LEU  63           HN       LEU  63   4.526   2.151   2.286
  494    HA   LEU  63           HA       LEU  63   6.842   2.249   3.926
  495    HB2  LEU  63           2HB      LEU  63   6.396   3.030   1.047
  496    HB3  LEU  63           1HB      LEU  63   7.972   3.044   1.821
  497    HG   LEU  63           HG       LEU  63   6.233   0.594   1.494
  498   HD11  LEU  63          1HD1      LEU  63   7.871  -0.089  -0.188
  499   HD12  LEU  63          2HD1      LEU  63   8.699   1.459  -0.012
  500   HD13  LEU  63          3HD1      LEU  63   7.057   1.404  -0.653
  501   HD21  LEU  63          3HD2      LEU  63   9.073   0.921   2.462
  502   HD22  LEU  63          1HD2      LEU  63   8.253  -0.614   2.183
  503   HD23  LEU  63          2HD2      LEU  63   7.680   0.471   3.447
  504    H    GLN  64           HN       GLN  64   4.755   4.709   2.526
  505    HA   GLN  64           HA       GLN  64   6.355   6.963   3.000
  506    HB2  GLN  64           2HB      GLN  64   4.216   6.896   1.661
  507    HB3  GLN  64           1HB      GLN  64   3.340   6.867   3.185
  508    HG2  GLN  64           2HG      GLN  64   4.657   9.015   3.729
  509    HG3  GLN  64           1HG      GLN  64   4.970   9.073   1.996
  510   HE21  GLN  64          1HE2      GLN  64   3.499  10.941   3.606
  511   HE22  GLN  64          2HE2      GLN  64   1.888  10.992   2.974
  512    H    GLY  65           HN       GLY  65   3.861   5.431   5.007
  513    HA2  GLY  65           2HA      GLY  65   4.178   7.204   7.216
  514    HA3  GLY  65           1HA      GLY  65   3.349   5.653   7.243
  515    H    GLN  66           HN       GLN  66   5.740   4.243   6.242
  516    HA   GLN  66           HA       GLN  66   6.934   3.588   8.718
  517    HB2  GLN  66           2HB      GLN  66   6.745   2.333   6.344
  518    HB3  GLN  66           1HB      GLN  66   8.378   2.960   6.194
  519    HG2  GLN  66           2HG      GLN  66   7.467   1.339   8.553
  520    HG3  GLN  66           1HG      GLN  66   8.142   0.620   7.095
  521   HE21  GLN  66          1HE2      GLN  66   9.139   0.573   9.833
  522   HE22  GLN  66          2HE2      GLN  66  10.725   1.257   9.779
  523    H    GLY  67           HN       GLY  67   7.935   5.626   6.008
  524    HA2  GLY  67           2HA      GLY  67   8.973   7.726   7.036
  525    HA3  GLY  67           1HA      GLY  67  10.159   6.602   7.676
  526    H    ASP  68           HN       ASP  68   9.534   5.264   4.804
  527    HA   ASP  68           HA       ASP  68  11.948   6.482   3.747
  528    HB2  ASP  68           2HB      ASP  68  11.764   3.999   3.921
  529    HB3  ASP  68           1HB      ASP  68  10.489   4.054   2.706
  530    H    ARG  69           HN       ARG  69  11.452   8.296   2.817
  531    HA   ARG  69           HA       ARG  69   9.197   8.938   1.281
  532    HB2  ARG  69           2HB      ARG  69  10.844  10.542   2.320
  533    HB3  ARG  69           1HB      ARG  69  11.960  10.142   1.024
  534    HG2  ARG  69           2HG      ARG  69  10.356  10.997  -0.617
  535    HG3  ARG  69           1HG      ARG  69   9.253  11.420   0.695
  536    HD2  ARG  69           2HD      ARG  69  10.278  13.430   0.502
  537    HD3  ARG  69           1HD      ARG  69  11.457  12.664   1.563
  538    HE   ARG  69           HE       ARG  69  11.771  12.820  -1.368
  539   HH11  ARG  69          1HH1      ARG  69  13.149  12.821   1.858
  540   HH12  ARG  69          2HH1      ARG  69  14.711  13.359   1.320
  541   HH21  ARG  69          1HH2      ARG  69  13.812  13.525  -2.075
  542   HH22  ARG  69          2HH2      ARG  69  15.087  13.775  -0.909
  543    H    ALA  70           HN       ALA  70  12.404   7.778   0.363
  544    HA   ALA  70           HA       ALA  70  12.005   7.953  -2.441
  545    HB1  ALA  70           1HB      ALA  70  13.937   6.222  -0.903
  546    HB2  ALA  70           2HB      ALA  70  14.228   7.885  -1.416
  547    HB3  ALA  70           3HB      ALA  70  14.029   6.613  -2.621
  548    H    GLY  71           HN       GLY  71  11.838   5.222  -0.165
  549    HA2  GLY  71           2HA      GLY  71  11.259   3.211  -2.015
  550    HA3  GLY  71           1HA      GLY  71  10.823   3.179  -0.313
  551    H    ALA  72           HN       ALA  72   9.032   5.299  -0.186
  552    HA   ALA  72           HA       ALA  72   6.640   4.153  -1.118
  553    HB1  ALA  72           1HB      ALA  72   5.583   6.275  -0.483
  554    HB2  ALA  72           2HB      ALA  72   7.176   7.013  -0.316
  555    HB3  ALA  72           3HB      ALA  72   6.695   5.705   0.763
  556    H    ARG  73           HN       ARG  73   8.659   6.737  -2.408
  557    HA   ARG  73           HA       ARG  73   7.008   7.494  -4.557
  558    HB2  ARG  73           2HB      ARG  73   8.958   8.779  -3.652
  559    HB3  ARG  73           1HB      ARG  73  10.024   7.613  -4.418
  560    HG2  ARG  73           2HG      ARG  73   9.162   8.249  -6.606
  561    HG3  ARG  73           1HG      ARG  73   8.068   9.405  -5.841
  562    HD2  ARG  73           2HD      ARG  73  10.058  10.551  -4.871
  563    HD3  ARG  73           1HD      ARG  73  11.085   9.461  -5.801
  564    HE   ARG  73           HE       ARG  73   9.536  10.531  -7.715
  565   HH11  ARG  73          1HH1      ARG  73  11.386  11.984  -5.107
  566   HH12  ARG  73          2HH1      ARG  73  11.662  13.469  -5.956
  567   HH21  ARG  73          1HH2      ARG  73   9.930  12.493  -8.845
  568   HH22  ARG  73          2HH2      ARG  73  10.816  13.767  -8.066
  569    H    GLN  74           HN       GLN  74   9.738   5.234  -4.370
  570    HA   GLN  74           HA       GLN  74   9.695   4.481  -7.092
  571    HB2  GLN  74           2HB      GLN  74  10.706   2.900  -4.722
  572    HB3  GLN  74           1HB      GLN  74  11.110   2.603  -6.406
  573    HG2  GLN  74           2HG      GLN  74  11.779   5.109  -4.880
  574    HG3  GLN  74           1HG      GLN  74  12.886   3.771  -5.176
  575   HE21  GLN  74          1HE2      GLN  74  14.311   5.141  -6.249
  576   HE22  GLN  74          2HE2      GLN  74  13.994   5.706  -7.860
  577    H    ALA  75           HN       ALA  75   8.142   3.134  -4.220
  578    HA   ALA  75           HA       ALA  75   7.158   0.775  -5.373
  579    HB1  ALA  75           1HB      ALA  75   5.917   2.387  -3.145
  580    HB2  ALA  75           2HB      ALA  75   7.214   1.205  -2.951
  581    HB3  ALA  75           3HB      ALA  75   5.622   0.685  -3.504
  582    H    TRP  76           HN       TRP  76   5.689   4.000  -5.091
  583    HA   TRP  76           HA       TRP  76   3.240   3.237  -6.292
  584    HB2  TRP  76           2HB      TRP  76   4.519   5.907  -5.769
  585    HB3  TRP  76           1HB      TRP  76   2.983   5.767  -6.616
  586    HD1  TRP  76           1HD      TRP  76   1.895   3.324  -4.709
  587    HE1  TRP  76           1HE      TRP  76   1.007   3.949  -2.378
  588    HE3  TRP  76           3HE      TRP  76   4.199   7.853  -4.158
  589    HZ2  TRP  76           2HZ      TRP  76   1.267   6.080  -0.540
  590    HZ3  TRP  76           3HZ      TRP  76   3.826   9.115  -2.082
  591    HH2  TRP  76           2HH      TRP  76   2.390   8.248  -0.313
  592    H    GLU  77           HN       GLU  77   6.240   4.592  -7.585
  593    HA   GLU  77           HA       GLU  77   5.214   4.944 -10.218
  594    HB2  GLU  77           2HB      GLU  77   8.022   4.772  -9.142
  595    HB3  GLU  77           1HB      GLU  77   7.667   5.030 -10.844
  596    HG2  GLU  77           2HG      GLU  77   6.315   7.032 -10.146
  597    HG3  GLU  77           1HG      GLU  77   6.982   6.819  -8.530
  598    H    SER  78           HN       SER  78   6.846   2.290  -8.572
  599    HA   SER  78           HA       SER  78   7.104   0.649 -10.887
  600    HB2  SER  78           2HB      SER  78   6.960  -0.151  -7.965
  601    HB3  SER  78           1HB      SER  78   7.500  -1.186  -9.286
  602    HG   SER  78           HG       SER  78   8.725   1.168  -8.284
  603    H    GLY  79           HN       GLY  79   4.676   0.942  -8.324
  604    HA2  GLY  79           2HA      GLY  79   2.951  -1.088  -9.278
  605    HA3  GLY  79           1HA      GLY  79   2.505   0.224  -8.198
  606    H    LEU  80           HN       LEU  80   3.444   2.219 -10.202
  607    HA   LEU  80           HA       LEU  80   1.008   2.733 -11.492
  608    HB2  LEU  80           2HB      LEU  80   3.074   4.260 -10.967
  609    HB3  LEU  80           1HB      LEU  80   3.614   3.755 -12.549
  610    HG   LEU  80           HG       LEU  80   1.477   4.628 -13.497
  611   HD11  LEU  80          1HD1      LEU  80   0.152   4.539 -11.439
  612   HD12  LEU  80          2HD1      LEU  80   0.148   6.152 -12.154
  613   HD13  LEU  80          3HD1      LEU  80   1.156   5.815 -10.745
  614   HD21  LEU  80          3HD2      LEU  80   3.223   6.588 -12.015
  615   HD22  LEU  80          1HD2      LEU  80   2.137   6.988 -13.348
  616   HD23  LEU  80          2HD2      LEU  80   3.520   5.927 -13.625
  617    H    ALA  81           HN       ALA  81   4.104   1.661 -12.811
  618    HA   ALA  81           HA       ALA  81   3.158   1.097 -15.413
  619    HB1  ALA  81           1HB      ALA  81   5.258  -0.058 -15.749
  620    HB2  ALA  81           2HB      ALA  81   5.533  -0.131 -14.011
  621    HB3  ALA  81           3HB      ALA  81   5.546   1.424 -14.841
  622    H    ALA  82           HN       ALA  82   3.243  -0.804 -12.471
  623    HA   ALA  82           HA       ALA  82   2.563  -3.284 -13.645
  624    HB1  ALA  82           1HB      ALA  82   3.402  -3.161 -11.369
  625    HB2  ALA  82           2HB      ALA  82   1.808  -3.916 -11.384
  626    HB3  ALA  82           3HB      ALA  82   1.984  -2.239 -10.871
  627    H    ALA  83           HN       ALA  83   0.626  -0.652 -12.282
  628    HA   ALA  83           HA       ALA  83  -1.909  -1.787 -12.766
  629    HB1  ALA  83           1HB      ALA  83  -1.533   0.075 -11.220
  630    HB2  ALA  83           2HB      ALA  83  -2.771   0.467 -12.415
  631    HB3  ALA  83           3HB      ALA  83  -1.138   1.125 -12.582
  632    H    GLN  84           HN       GLN  84   0.129   0.407 -14.678
  633    HA   GLN  84           HA       GLN  84  -1.563   0.754 -16.874
  634    HB2  GLN  84           2HB      GLN  84   1.431   0.727 -16.587
  635    HB3  GLN  84           1HB      GLN  84   0.657   1.027 -18.134
  636    HG2  GLN  84           2HG      GLN  84   0.075   2.635 -15.671
  637    HG3  GLN  84           1HG      GLN  84   1.328   3.060 -16.837
  638   HE21  GLN  84          1HE2      GLN  84   0.753   3.798 -18.860
  639   HE22  GLN  84          2HE2      GLN  84  -0.863   4.309 -19.241
  640    H    SER  85           HN       SER  85   0.911  -1.709 -16.257
  641    HA   SER  85           HA       SER  85   0.583  -3.171 -18.621
  642    HB2  SER  85           2HB      SER  85   2.475  -3.396 -16.975
  643    HB3  SER  85           1HB      SER  85   1.378  -4.288 -15.922
  644    HG   SER  85           HG       SER  85   1.171  -5.452 -18.233
  645    H    ARG  86           HN       ARG  86  -1.100  -3.432 -15.506
  646    HA   ARG  86           HA       ARG  86  -2.646  -5.698 -16.261
  647    HB2  ARG  86           2HB      ARG  86  -1.873  -4.522 -13.959
  648    HB3  ARG  86           1HB      ARG  86  -3.504  -3.890 -14.086
  649    HG2  ARG  86           2HG      ARG  86  -2.805  -6.805 -14.165
  650    HG3  ARG  86           1HG      ARG  86  -3.285  -5.913 -12.728
  651    HD2  ARG  86           2HD      ARG  86  -5.368  -5.254 -14.018
  652    HD3  ARG  86           1HD      ARG  86  -4.901  -6.480 -15.191
  653    HE   ARG  86           HE       ARG  86  -5.565  -7.038 -12.369
  654   HH11  ARG  86          1HH1      ARG  86  -5.418  -7.978 -15.728
  655   HH12  ARG  86          2HH1      ARG  86  -6.347  -9.429 -15.510
  656   HH21  ARG  86          1HH2      ARG  86  -6.824  -8.943 -12.060
  657   HH22  ARG  86          2HH2      ARG  86  -7.162  -9.967 -13.425
  658    H    GLY  87           HN       GLY  87  -2.903  -2.339 -16.869
  659    HA2  GLY  87           2HA      GLY  87  -4.516  -1.265 -18.173
  660    HA3  GLY  87           1HA      GLY  87  -5.527  -2.698 -18.060
  661    H    ASP  88           HN       ASP  88  -4.313  -1.636 -15.072
  662    HA   ASP  88           HA       ASP  88  -6.979  -0.897 -14.216
  663    HB2  ASP  88           2HB      ASP  88  -4.402  -1.433 -12.767
  664    HB3  ASP  88           1HB      ASP  88  -5.722  -0.606 -11.950
  665    H    GLN  89           HN       GLN  89  -7.102   1.010 -15.477
  666    HA   GLN  89           HA       GLN  89  -5.365   3.196 -15.276
  667    HB2  GLN  89           2HB      GLN  89  -8.298   3.047 -15.946
  668    HB3  GLN  89           1HB      GLN  89  -7.293   4.461 -16.193
  669    HG2  GLN  89           2HG      GLN  89  -6.937   1.774 -17.487
  670    HG3  GLN  89           1HG      GLN  89  -7.549   3.232 -18.259
  671   HE21  GLN  89          1HE2      GLN  89  -4.744   1.609 -17.019
  672   HE22  GLN  89          2HE2      GLN  89  -3.563   2.670 -17.710
  673    H    GLN  90           HN       GLN  90  -8.187   2.289 -13.406
  674    HA   GLN  90           HA       GLN  90  -8.573   4.587 -11.899
  675    HB2  GLN  90           2HB      GLN  90 -10.075   2.630 -11.834
  676    HB3  GLN  90           1HB      GLN  90  -8.841   1.715 -10.975
  677    HG2  GLN  90           2HG      GLN  90  -8.968   3.630  -9.248
  678    HG3  GLN  90           1HG      GLN  90 -10.511   3.998 -10.015
  679   HE21  GLN  90          1HE2      GLN  90 -12.206   2.501  -9.863
  680   HE22  GLN  90          2HE2      GLN  90 -12.192   1.240  -8.671
  681    H    VAL  91           HN       VAL  91  -6.399   1.848 -11.295
  682    HA   VAL  91           HA       VAL  91  -5.464   2.771  -8.791
  683    HB   VAL  91           HB       VAL  91  -4.096   0.881 -10.715
  684   HG11  VAL  91          1HG1      VAL  91  -2.570   1.716  -9.012
  685   HG12  VAL  91          2HG1      VAL  91  -2.965   0.024  -8.708
  686   HG13  VAL  91          3HG1      VAL  91  -3.726   1.293  -7.749
  687   HG21  VAL  91          3HG2      VAL  91  -5.120  -0.899  -9.367
  688   HG22  VAL  91          1HG2      VAL  91  -6.335   0.109 -10.154
  689   HG23  VAL  91          2HG2      VAL  91  -5.992   0.319  -8.437
  690    H    VAL  92           HN       VAL  92  -4.304   3.163 -12.091
  691    HA   VAL  92           HA       VAL  92  -1.841   4.376 -11.584
  692    HB   VAL  92           HB       VAL  92  -3.756   4.879 -13.870
  693   HG11  VAL  92          1HG1      VAL  92  -1.784   5.638 -15.120
  694   HG12  VAL  92          2HG1      VAL  92  -0.812   5.488 -13.655
  695   HG13  VAL  92          3HG1      VAL  92  -2.124   6.667 -13.728
  696   HG21  VAL  92          3HG2      VAL  92  -2.355   3.275 -15.094
  697   HG22  VAL  92          1HG2      VAL  92  -3.146   2.546 -13.697
  698   HG23  VAL  92          2HG2      VAL  92  -1.437   2.973 -13.619
  699    H    LYS  93           HN       LYS  93  -5.039   5.849 -12.083
  700    HA   LYS  93           HA       LYS  93  -4.130   8.504 -11.719
  701    HB2  LYS  93           2HB      LYS  93  -6.920   7.363 -11.523
  702    HB3  LYS  93           1HB      LYS  93  -6.533   9.079 -11.582
  703    HG2  LYS  93           2HG      LYS  93  -5.459   8.714 -13.785
  704    HG3  LYS  93           1HG      LYS  93  -5.992   7.036 -13.731
  705    HD2  LYS  93           2HD      LYS  93  -7.817   9.436 -13.641
  706    HD3  LYS  93           1HD      LYS  93  -7.467   8.485 -15.084
  707    HE2  LYS  93           2HE      LYS  93  -8.369   6.491 -13.935
  708    HE3  LYS  93           1HE      LYS  93  -8.802   7.512 -12.564
  709    HZ1  LYS  93           3HZ      LYS  93 -10.708   7.215 -13.959
  710    HZ2  LYS  93           1HZ      LYS  93  -9.849   7.713 -15.336
  711    HZ3  LYS  93           2HZ      LYS  93 -10.194   8.826 -14.104
  712    H    GLU  94           HN       GLU  94  -5.498   6.113  -9.498
  713    HA   GLU  94           HA       GLU  94  -5.734   7.690  -7.216
  714    HB2  GLU  94           2HB      GLU  94  -5.042   4.794  -7.635
  715    HB3  GLU  94           1HB      GLU  94  -5.218   5.487  -6.033
  716    HG2  GLU  94           2HG      GLU  94  -7.404   5.828  -8.021
  717    HG3  GLU  94           1HG      GLU  94  -7.209   4.292  -7.189
  718    H    LEU  95           HN       LEU  95  -2.978   5.828  -8.424
  719    HA   LEU  95           HA       LEU  95  -1.190   6.470  -6.351
  720    HB2  LEU  95           2HB      LEU  95  -0.713   5.611  -9.202
  721    HB3  LEU  95           1HB      LEU  95   0.562   5.751  -8.006
  722    HG   LEU  95           HG       LEU  95  -1.821   3.902  -7.723
  723   HD11  LEU  95          1HD1      LEU  95  -0.264   2.109  -8.265
  724   HD12  LEU  95          2HD1      LEU  95   1.013   3.290  -8.563
  725   HD13  LEU  95          3HD1      LEU  95  -0.406   3.241  -9.610
  726   HD21  LEU  95          3HD2      LEU  95  -0.513   2.914  -5.937
  727   HD22  LEU  95          1HD2      LEU  95  -0.822   4.622  -5.618
  728   HD23  LEU  95          2HD2      LEU  95   0.765   4.103  -6.191
  729    H    GLN  96           HN       GLN  96  -2.009   8.114  -9.341
  730    HA   GLN  96           HA       GLN  96   0.105   9.922  -9.520
  731    HB2  GLN  96           2HB      GLN  96  -2.801  10.191 -10.279
  732    HB3  GLN  96           1HB      GLN  96  -1.618  11.445 -10.615
  733    HG2  GLN  96           2HG      GLN  96  -1.511   8.614 -11.633
  734    HG3  GLN  96           1HG      GLN  96  -2.024  10.026 -12.555
  735   HE21  GLN  96          1HE2      GLN  96   0.655   8.293 -11.221
  736   HE22  GLN  96          2HE2      GLN  96   1.898   9.196 -12.011
  737    H    VAL  97           HN       VAL  97  -2.803  10.018  -7.538
  738    HA   VAL  97           HA       VAL  97  -2.617  12.689  -6.684
  739    HB   VAL  97           HB       VAL  97  -3.790  10.348  -5.173
  740   HG11  VAL  97          1HG1      VAL  97  -5.216  12.038  -4.110
  741   HG12  VAL  97          2HG1      VAL  97  -4.321  13.305  -4.951
  742   HG13  VAL  97          3HG1      VAL  97  -3.506  12.292  -3.761
  743   HG21  VAL  97          3HG2      VAL  97  -5.061  12.197  -7.190
  744   HG22  VAL  97          1HG2      VAL  97  -5.927  11.020  -6.201
  745   HG23  VAL  97          2HG2      VAL  97  -4.746  10.472  -7.390
  746    H    PHE  98           HN       PHE  98  -1.313   9.699  -5.315
  747    HA   PHE  98           HA       PHE  98  -0.394  10.880  -2.909
  748    HB2  PHE  98           2HB      PHE  98   0.358   8.291  -4.263
  749    HB3  PHE  98           1HB      PHE  98   0.883   8.750  -2.646
  750    HD1  PHE  98           2HD      PHE  98  -0.920   9.215  -0.908
  751    HD2  PHE  98           1HD      PHE  98  -1.679   7.224  -4.586
  752    HE1  PHE  98           2HE      PHE  98  -2.989   8.278   0.034
  753    HE2  PHE  98           1HE      PHE  98  -3.753   6.284  -3.654
  754    HZ   PHE  98           HZ       PHE  98  -4.408   6.808  -1.340
  755    H    LEU  99           HN       LEU  99   1.159  10.253  -6.016
  756    HA   LEU  99           HA       LEU  99   3.819  10.681  -5.289
  757    HB2  LEU  99           2HB      LEU  99   2.414  11.249  -7.895
  758    HB3  LEU  99           1HB      LEU  99   4.155  11.285  -7.691
  759    HG   LEU  99           HG       LEU  99   2.416   8.855  -7.260
  760   HD11  LEU  99          1HD1      LEU  99   3.440   8.026  -9.327
  761   HD12  LEU  99          2HD1      LEU  99   4.252   9.578  -9.541
  762   HD13  LEU  99          3HD1      LEU  99   2.490   9.486  -9.608
  763   HD21  LEU  99          3HD2      LEU  99   5.416   9.136  -7.342
  764   HD22  LEU  99          1HD2      LEU  99   4.510   7.637  -7.126
  765   HD23  LEU  99          2HD2      LEU  99   4.452   8.892  -5.885
  766    H    ARG 100           HN       ARG 100   1.274  12.957  -5.941
  767    HA   ARG 100           HA       ARG 100   2.828  15.278  -6.361
  768    HB2  ARG 100           2HB      ARG 100   0.079  15.172  -5.134
  769    HB3  ARG 100           1HB      ARG 100   0.783  16.463  -6.096
  770    HG2  ARG 100           2HG      ARG 100   0.544  13.796  -7.342
  771    HG3  ARG 100           1HG      ARG 100  -0.924  14.728  -7.079
  772    HD2  ARG 100           2HD      ARG 100  -0.316  16.353  -8.587
  773    HD3  ARG 100           1HD      ARG 100   1.408  16.096  -8.319
  774    HE   ARG 100           HE       ARG 100   1.382  14.342  -9.858
  775   HH11  ARG 100          1HH1      ARG 100  -1.809  15.766  -9.503
  776   HH12  ARG 100          2HH1      ARG 100  -2.440  14.973 -10.916
  777   HH21  ARG 100          1HH2      ARG 100   0.542  13.333 -11.718
  778   HH22  ARG 100          2HH2      ARG 100  -1.116  13.613 -12.172
  779    H    ARG 101           HN       ARG 101   1.219  13.922  -3.544
  780    HA   ARG 101           HA       ARG 101   1.956  15.787  -1.619
  781    HB2  ARG 101           2HB      ARG 101   1.768  12.790  -1.263
  782    HB3  ARG 101           1HB      ARG 101   1.779  13.965   0.041
  783    HG2  ARG 101           2HG      ARG 101  -0.326  14.914  -0.895
  784    HG3  ARG 101           1HG      ARG 101  -0.354  13.570  -2.043
  785    HD2  ARG 101           2HD      ARG 101  -0.300  11.997  -0.124
  786    HD3  ARG 101           1HD      ARG 101  -0.401  13.374   0.969
  787    HE   ARG 101           HE       ARG 101  -2.520  12.833  -1.002
  788   HH11  ARG 101          1HH1      ARG 101  -1.479  13.477   2.291
  789   HH12  ARG 101          2HH1      ARG 101  -3.097  13.409   2.938
  790   HH21  ARG 101          1HH2      ARG 101  -4.634  12.725  -0.135
  791   HH22  ARG 101          2HH2      ARG 101  -4.869  12.989   1.568
  792    H    LEU 102           HN       LEU 102   3.772  12.995  -2.841
  793    HA   LEU 102           HA       LEU 102   5.921  13.260  -1.024
  794    HB2  LEU 102           2HB      LEU 102   5.499  11.761  -3.562
  795    HB3  LEU 102           1HB      LEU 102   7.113  11.898  -2.907
  796    HG   LEU 102           HG       LEU 102   4.726  10.589  -1.633
  797   HD11  LEU 102          1HD1      LEU 102   5.938   9.255  -3.270
  798   HD12  LEU 102          2HD1      LEU 102   6.164   8.622  -1.639
  799   HD13  LEU 102          3HD1      LEU 102   7.447   9.557  -2.409
  800   HD21  LEU 102          3HD2      LEU 102   6.173  10.128   0.295
  801   HD22  LEU 102          1HD2      LEU 102   5.882  11.854   0.092
  802   HD23  LEU 102          2HD2      LEU 102   7.422  11.156  -0.404
  803    H    ALA 103           HN       ALA 103   5.286  14.678  -4.172
  804    HA   ALA 103           HA       ALA 103   7.870  15.611  -4.729
  805    HB1  ALA 103           1HB      ALA 103   6.823  17.201  -6.230
  806    HB2  ALA 103           2HB      ALA 103   5.267  16.970  -5.430
  807    HB3  ALA 103           3HB      ALA 103   5.989  15.649  -6.348
  808    H    ARG 104           HN       ARG 104   5.341  16.877  -2.648
  809    HA   ARG 104           HA       ARG 104   6.661  19.345  -2.075
  810    HB2  ARG 104           2HB      ARG 104   4.517  17.895  -0.513
  811    HB3  ARG 104           1HB      ARG 104   4.994  19.574  -0.286
  812    HG2  ARG 104           2HG      ARG 104   4.247  20.100  -2.546
  813    HG3  ARG 104           1HG      ARG 104   3.785  18.415  -2.790
  814    HD2  ARG 104           2HD      ARG 104   2.203  18.626  -0.895
  815    HD3  ARG 104           1HD      ARG 104   2.616  20.339  -0.786
  816    HE   ARG 104           HE       ARG 104   1.799  19.639  -3.423
  817   HH11  ARG 104          1HH1      ARG 104   0.560  20.351  -0.217
  818   HH12  ARG 104          2HH1      ARG 104  -0.990  20.873  -0.801
  819   HH21  ARG 104          1HH2      ARG 104  -0.251  20.301  -4.184
  820   HH22  ARG 104          2HH2      ARG 104  -1.449  20.850  -3.041
  821    H    GLU 105           HN       GLU 105   6.594  16.145  -0.631
  822    HA   GLU 105           HA       GLU 105   8.110  16.730   1.674
  823    HB2  GLU 105           2HB      GLU 105   7.633  14.225   0.070
  824    HB3  GLU 105           1HB      GLU 105   8.621  14.234   1.515
  825    HG2  GLU 105           2HG      GLU 105   5.794  15.222   1.519
  826    HG3  GLU 105           1HG      GLU 105   6.204  13.525   1.768
  827    H    ASP 106           HN       ASP 106   8.944  15.715  -1.591
  828    HA   ASP 106           HA       ASP 106  11.731  15.361  -1.121
  829    HB2  ASP 106           2HB      ASP 106  10.295  14.369  -2.975
  830    HB3  ASP 106           1HB      ASP 106  10.406  15.932  -3.765
  831    H    ALA 107           HN       ALA 107   9.730  17.974  -2.262
  832    HA   ALA 107           HA       ALA 107  11.740  19.721  -3.140
  833    HB1  ALA 107           1HB      ALA 107  10.074  21.478  -2.953
  834    HB2  ALA 107           2HB      ALA 107   9.051  20.427  -1.974
  835    HB3  ALA 107           3HB      ALA 107   9.370  20.026  -3.663
  836    H    LEU 108           HN       LEU 108  10.088  19.574   0.013
  837    HA   LEU 108           HA       LEU 108  11.756  21.646   1.092
  838    HB2  LEU 108           2HB      LEU 108   9.748  19.823   2.414
  839    HB3  LEU 108           1HB      LEU 108  10.512  21.194   3.172
  840    HG   LEU 108           HG       LEU 108   8.655  21.322   0.820
  841   HD11  LEU 108          1HD1      LEU 108   7.094  22.364   2.371
  842   HD12  LEU 108          2HD1      LEU 108   8.244  22.135   3.688
  843   HD13  LEU 108          3HD1      LEU 108   7.519  20.735   2.897
  844   HD21  LEU 108          3HD2      LEU 108   8.745  23.745   1.139
  845   HD22  LEU 108          1HD2      LEU 108  10.332  23.084   0.743
  846   HD23  LEU 108          2HD2      LEU 108   9.953  23.527   2.406
  847    H    GLU 109           HN       GLU 109  11.337  18.169   1.677
  848    HA   GLU 109           HA       GLU 109  12.575  16.606   2.711
  849    HB2  GLU 109           2HB      GLU 109  14.826  18.452   1.947
  850    HB3  GLU 109           1HB      GLU 109  15.079  16.873   2.676
  851    HG2  GLU 109           2HG      GLU 109  13.834  15.872   0.772
  852    HG3  GLU 109           1HG      GLU 109  13.798  17.469   0.025
  853    H    HIS 110           HN       HIS 110  11.967  19.409   4.145
  854    HA   HIS 110           HA       HIS 110  13.478  18.693   6.560
  855    HB2  HIS 110           2HB      HIS 110  13.668  21.071   5.513
  856    HB3  HIS 110           1HB      HIS 110  12.085  21.334   6.238
  857    HD1  HIS 110           1HD      HIS 110  12.003  21.760   8.748
  858    HD2  HIS 110           2HD      HIS 110  15.761  20.610   7.390
  859    HE1  HIS 110           1HE      HIS 110  13.558  22.079  10.696
  860    HE2  HIS 110           2HE      HIS 110  15.752  21.107   9.923
  861    H    HIS 111           HN       HIS 111  10.445  18.779   5.150
  862    HA   HIS 111           HA       HIS 111   8.892  18.843   7.579
  863    HB2  HIS 111           2HB      HIS 111   7.993  19.637   5.390
  864    HB3  HIS 111           1HB      HIS 111   8.082  17.987   4.784
  865    HD1  HIS 111           1HD      HIS 111   6.184  20.130   7.228
  866    HD2  HIS 111           2HD      HIS 111   5.950  16.360   5.492
  867    HE1  HIS 111           1HE      HIS 111   3.901  19.251   7.815
  868    HE2  HIS 111           2HE      HIS 111   3.694  17.102   6.517
  869    H    HIS 112           HN       HIS 112  10.575  16.558   5.687
  870    HA   HIS 112           HA       HIS 112   9.279  14.298   7.038
  871    HB2  HIS 112           2HB      HIS 112   9.534  14.484   4.452
  872    HB3  HIS 112           1HB      HIS 112  11.215  14.067   4.744
  873    HD1  HIS 112           1HD      HIS 112   7.784  12.645   4.671
  874    HD2  HIS 112           2HD      HIS 112  11.650  11.407   5.609
  875    HE1  HIS 112           1HE      HIS 112   7.687  10.123   4.806
  876    HE2  HIS 112           2HE      HIS 112  10.035   9.403   5.397
  877    H    HIS 113           HN       HIS 113  11.737  16.324   7.547
  878    HA   HIS 113           HA       HIS 113  13.343  14.292   8.898
  879    HB2  HIS 113           2HB      HIS 113  14.544  14.700   6.834
  880    HB3  HIS 113           1HB      HIS 113  14.462  16.438   7.084
  881    HD1  HIS 113           1HD      HIS 113  16.727  17.235   7.603
  882    HD2  HIS 113           2HD      HIS 113  15.900  13.618   9.484
  883    HE1  HIS 113           1HE      HIS 113  18.756  16.715   9.001
  884    HE2  HIS 113           2HE      HIS 113  18.127  14.656  10.307
  885    H    HIS 114           HN       HIS 114  12.349  14.972  10.773
  886    HA   HIS 114           HA       HIS 114  13.751  17.163  12.052
  887    HB2  HIS 114           2HB      HIS 114  11.605  18.142  11.083
  888    HB3  HIS 114           1HB      HIS 114  10.725  17.099  12.190
  889    HD1  HIS 114           1HD      HIS 114  10.143  19.949  12.587
  890    HD2  HIS 114           2HD      HIS 114  13.459  18.170  14.365
  891    HE1  HIS 114           1HE      HIS 114  10.722  21.401  14.555
  892    HE2  HIS 114           2HE      HIS 114  12.828  20.401  15.508
  893    H    HIS 115           HN       HIS 115  11.694  14.364  12.106
  894    HA   HIS 115           HA       HIS 115  12.574  13.833  14.866
  895    HB2  HIS 115           2HB      HIS 115  10.105  14.237  14.664
  896    HB3  HIS 115           1HB      HIS 115  10.009  12.858  13.578
  897    HD1  HIS 115           1HD      HIS 115   9.787  13.756  17.078
  898    HD2  HIS 115           2HD      HIS 115  10.814  10.347  14.922
  899    HE1  HIS 115           1HE      HIS 115   9.637  11.844  18.709
  900    HE2  HIS 115           2HE      HIS 115  10.460   9.829  17.431
  Start of MODEL   17
    1    H1   MET   1           H1       MET   1 -11.934  -0.556  19.496
    2    H2   MET   1           H2       MET   1 -10.534  -1.367  18.980
    3    H3   MET   1           H3       MET   1 -10.881  -1.237  20.634
    4    HA   MET   1           HA       MET   1 -12.814  -2.605  20.408
    5    HB2  MET   1           2HB      MET   1 -13.295  -3.748  18.284
    6    HB3  MET   1           1HB      MET   1 -13.460  -2.006  18.139
    7    HG2  MET   1           2HG      MET   1 -10.950  -3.430  17.325
    8    HG3  MET   1           1HG      MET   1 -12.327  -3.262  16.236
    9    HE1  MET   1           2HE      MET   1  -9.703  -0.664  14.877
   10    HE2  MET   1           3HE      MET   1 -10.665  -2.095  14.503
   11    HE3  MET   1           1HE      MET   1  -9.332  -2.206  15.651
   12    H    GLN   2           HN       GLN   2 -12.598  -5.120  19.533
   13    HA   GLN   2           HA       GLN   2 -10.340  -6.069  20.968
   14    HB2  GLN   2           2HB      GLN   2 -12.247  -7.607  19.202
   15    HB3  GLN   2           1HB      GLN   2 -11.220  -8.261  20.463
   16    HG2  GLN   2           2HG      GLN   2 -12.475  -6.873  22.108
   17    HG3  GLN   2           1HG      GLN   2 -13.584  -6.446  20.808
   18   HE21  GLN   2          1HE2      GLN   2 -14.127  -7.809  23.283
   19   HE22  GLN   2          2HE2      GLN   2 -14.796  -9.349  22.869
   20    H    ALA   3           HN       ALA   3  -8.808  -7.681  20.036
   21    HA   ALA   3           HA       ALA   3  -7.496  -6.479  17.797
   22    HB1  ALA   3           1HB      ALA   3  -6.818  -9.052  19.217
   23    HB2  ALA   3           2HB      ALA   3  -6.269  -7.446  19.697
   24    HB3  ALA   3           3HB      ALA   3  -5.763  -8.123  18.152
   25    H    ILE   4           HN       ILE   4  -8.932  -6.666  16.121
   26    HA   ILE   4           HA       ILE   4 -10.094  -9.071  15.226
   27    HB   ILE   4           HB       ILE   4  -9.506  -6.565  13.653
   28   HG12  ILE   4          2HG1      ILE   4 -11.992  -7.375  15.177
   29   HG13  ILE   4          1HG1      ILE   4 -10.837  -6.161  15.705
   30   HG21  ILE   4          1HG2      ILE   4 -11.376  -7.294  12.226
   31   HG22  ILE   4          2HG2      ILE   4 -11.476  -8.794  13.147
   32   HG23  ILE   4          3HG2      ILE   4 -10.033  -8.436  12.198
   33   HD11  ILE   4          3HD1      ILE   4 -12.564  -6.013  13.246
   34   HD12  ILE   4          1HD1      ILE   4 -11.387  -4.798  13.745
   35   HD13  ILE   4          2HD1      ILE   4 -12.799  -5.125  14.751
   36    H    THR   5           HN       THR   5  -7.058  -7.469  14.488
   37    HA   THR   5           HA       THR   5  -6.366  -8.832  12.150
   38    HB   THR   5           HB       THR   5  -3.977  -8.281  12.866
   39    HG1  THR   5           1HG      THR   5  -3.920  -8.015  14.998
   40   HG21  THR   5          3HG2      THR   5  -5.319  -6.825  11.413
   41   HG22  THR   5          1HG2      THR   5  -4.283  -5.886  12.487
   42   HG23  THR   5          2HG2      THR   5  -6.005  -6.037  12.836
   43    H    GLU   6           HN       GLU   6  -5.793  -9.648  15.534
   44    HA   GLU   6           HA       GLU   6  -4.017 -11.787  15.015
   45    HB2  GLU   6           2HB      GLU   6  -5.675 -11.478  17.514
   46    HB3  GLU   6           1HB      GLU   6  -4.094 -12.224  17.341
   47    HG2  GLU   6           2HG      GLU   6  -4.750  -9.298  17.169
   48    HG3  GLU   6           1HG      GLU   6  -3.843 -10.119  18.437
   49    H    ARG   7           HN       ARG   7  -7.496 -11.611  15.590
   50    HA   ARG   7           HA       ARG   7  -7.820 -14.446  15.679
   51    HB2  ARG   7           2HB      ARG   7 -10.268 -13.932  15.543
   52    HB3  ARG   7           1HB      ARG   7  -9.422 -13.162  16.875
   53    HG2  ARG   7           2HG      ARG   7  -9.297 -11.089  15.471
   54    HG3  ARG   7           1HG      ARG   7 -10.376 -11.890  14.326
   55    HD2  ARG   7           2HD      ARG   7 -11.551 -10.404  15.933
   56    HD3  ARG   7           1HD      ARG   7 -12.095 -12.080  15.988
   57    HE   ARG   7           HE       ARG   7 -10.146 -11.932  17.902
   58   HH11  ARG   7          1HH1      ARG   7 -13.095 -10.144  17.288
   59   HH12  ARG   7          2HH1      ARG   7 -13.438  -9.891  18.973
   60   HH21  ARG   7          1HH2      ARG   7 -10.603 -11.602  20.116
   61   HH22  ARG   7          2HH2      ARG   7 -12.022 -10.711  20.572
   62    H    LEU   8           HN       LEU   8  -8.001 -12.020  13.148
   63    HA   LEU   8           HA       LEU   8  -9.148 -13.709  11.181
   64    HB2  LEU   8           2HB      LEU   8  -7.442 -11.236  10.955
   65    HB3  LEU   8           1HB      LEU   8  -8.120 -12.062   9.565
   66    HG   LEU   8           HG       LEU   8  -9.708 -10.794  11.799
   67   HD11  LEU   8          1HD1      LEU   8 -10.378  -9.181  10.089
   68   HD12  LEU   8          2HD1      LEU   8  -9.288  -9.949   8.935
   69   HD13  LEU   8          3HD1      LEU   8  -8.638  -9.147  10.366
   70   HD21  LEU   8          3HD2      LEU   8 -10.610 -12.124   9.247
   71   HD22  LEU   8          1HD2      LEU   8 -11.651 -11.263  10.381
   72   HD23  LEU   8          2HD2      LEU   8 -10.836 -12.747  10.881
   73    H    GLU   9           HN       GLU   9  -5.769 -12.857  11.920
   74    HA   GLU   9           HA       GLU   9  -4.564 -14.450   9.960
   75    HB2  GLU   9           2HB      GLU   9  -3.458 -12.646  11.222
   76    HB3  GLU   9           1HB      GLU   9  -3.561 -13.611  12.686
   77    HG2  GLU   9           2HG      GLU   9  -1.363 -13.750  11.870
   78    HG3  GLU   9           1HG      GLU   9  -2.131 -15.307  11.598
   79    H    ALA  10           HN       ALA  10  -5.765 -15.150  13.172
   80    HA   ALA  10           HA       ALA  10  -4.647 -17.735  13.481
   81    HB1  ALA  10           1HB      ALA  10  -7.129 -16.588  14.748
   82    HB2  ALA  10           2HB      ALA  10  -5.489 -16.427  15.373
   83    HB3  ALA  10           3HB      ALA  10  -6.248 -18.016  15.290
   84    H    MET  11           HN       MET  11  -7.412 -16.544  11.770
   85    HA   MET  11           HA       MET  11  -9.062 -18.795  11.785
   86    HB2  MET  11           2HB      MET  11  -9.793 -16.566  11.037
   87    HB3  MET  11           1HB      MET  11  -8.779 -16.720   9.608
   88    HG2  MET  11           2HG      MET  11 -10.124 -18.592   8.838
   89    HG3  MET  11           1HG      MET  11 -11.106 -18.506  10.301
   90    HE1  MET  11           3HE      MET  11 -10.052 -16.686   6.992
   91    HE2  MET  11           1HE      MET  11  -9.682 -15.479   8.219
   92    HE3  MET  11           2HE      MET  11 -10.997 -15.199   7.079
   93    H    LEU  12           HN       LEU  12  -6.168 -18.157   9.985
   94    HA   LEU  12           HA       LEU  12  -6.452 -19.956   7.865
   95    HB2  LEU  12           2HB      LEU  12  -3.968 -19.283   9.437
   96    HB3  LEU  12           1HB      LEU  12  -3.989 -20.052   7.864
   97    HG   LEU  12           HG       LEU  12  -5.095 -17.293   8.365
   98   HD11  LEU  12          1HD1      LEU  12  -2.720 -17.316   8.880
   99   HD12  LEU  12          2HD1      LEU  12  -3.025 -16.459   7.368
  100   HD13  LEU  12          3HD1      LEU  12  -2.381 -18.099   7.335
  101   HD21  LEU  12          3HD2      LEU  12  -4.325 -18.737   5.833
  102   HD22  LEU  12          1HD2      LEU  12  -4.917 -17.079   5.942
  103   HD23  LEU  12          2HD2      LEU  12  -5.970 -18.424   6.385
  104    H    ALA  13           HN       ALA  13  -5.595 -20.473  11.229
  105    HA   ALA  13           HA       ALA  13  -4.831 -23.223  10.884
  106    HB1  ALA  13           1HB      ALA  13  -3.872 -21.824  12.659
  107    HB2  ALA  13           2HB      ALA  13  -4.647 -23.275  13.298
  108    HB3  ALA  13           3HB      ALA  13  -5.464 -21.716  13.414
  109    H    GLN  14           HN       GLN  14  -7.787 -21.708  10.850
  110    HA   GLN  14           HA       GLN  14  -9.268 -23.777  12.259
  111    HB2  GLN  14           2HB      GLN  14 -10.280 -21.435  10.633
  112    HB3  GLN  14           1HB      GLN  14 -11.252 -22.470  11.667
  113    HG2  GLN  14           2HG      GLN  14  -9.008 -20.701  12.615
  114    HG3  GLN  14           1HG      GLN  14 -10.722 -20.295  12.688
  115   HE21  GLN  14          1HE2      GLN  14  -8.179 -22.247  13.998
  116   HE22  GLN  14          2HE2      GLN  14  -9.038 -22.782  15.407
  117    H    GLY  15           HN       GLY  15  -7.774 -23.711   9.401
  118    HA2  GLY  15           2HA      GLY  15  -7.973 -25.474   7.821
  119    HA3  GLY  15           1HA      GLY  15  -9.678 -25.609   8.229
  120    H    THR  16           HN       THR  16  -7.900 -22.667   7.461
  121    HA   THR  16           HA       THR  16  -9.061 -22.540   4.804
  122    HB   THR  16           HB       THR  16  -9.594 -20.319   6.796
  123    HG1  THR  16           1HG      THR  16 -10.965 -22.641   6.252
  124   HG21  THR  16          3HG2      THR  16  -9.408 -19.589   4.459
  125   HG22  THR  16          1HG2      THR  16 -11.065 -19.447   5.044
  126   HG23  THR  16          2HG2      THR  16 -10.617 -20.784   3.986
  127    H    ASP  17           HN       ASP  17  -7.046 -22.432   3.884
  128    HA   ASP  17           HA       ASP  17  -5.294 -20.244   4.800
  129    HB2  ASP  17           2HB      ASP  17  -4.171 -22.286   5.260
  130    HB3  ASP  17           1HB      ASP  17  -4.584 -22.955   3.684
  131    H    ASN  18           HN       ASN  18  -5.612 -18.608   3.466
  132    HA   ASN  18           HA       ASN  18  -4.917 -18.969   0.661
  133    HB2  ASN  18           2HB      ASN  18  -7.454 -17.540   1.513
  134    HB3  ASN  18           1HB      ASN  18  -6.806 -17.578  -0.122
  135   HD21  ASN  18          1HD2      ASN  18  -8.533 -19.281   2.315
  136   HD22  ASN  18          2HD2      ASN  18  -9.028 -20.627   1.345
  137    H    MET  19           HN       MET  19  -4.459 -16.821  -0.365
  138    HA   MET  19           HA       MET  19  -3.423 -14.939   1.592
  139    HB2  MET  19           2HB      MET  19  -2.325 -13.850  -0.177
  140    HB3  MET  19           1HB      MET  19  -2.271 -15.544  -0.631
  141    HG2  MET  19           2HG      MET  19  -2.818 -14.516  -2.615
  142    HG3  MET  19           1HG      MET  19  -4.397 -14.998  -2.002
  143    HE1  MET  19           3HE      MET  19  -5.177 -11.588  -3.786
  144    HE2  MET  19           1HE      MET  19  -5.531 -13.316  -3.716
  145    HE3  MET  19           2HE      MET  19  -3.964 -12.758  -4.306
  146    H    LEU  20           HN       LEU  20  -6.180 -15.467  -0.333
  147    HA   LEU  20           HA       LEU  20  -7.158 -12.782  -0.413
  148    HB2  LEU  20           2HB      LEU  20  -7.671 -14.885  -1.933
  149    HB3  LEU  20           1HB      LEU  20  -8.936 -15.162  -0.755
  150    HG   LEU  20           HG       LEU  20  -9.696 -13.963  -2.798
  151   HD11  LEU  20          1HD1      LEU  20  -9.928 -12.351  -0.261
  152   HD12  LEU  20          2HD1      LEU  20 -10.936 -13.727  -0.703
  153   HD13  LEU  20          3HD1      LEU  20 -10.994 -12.249  -1.663
  154   HD21  LEU  20          3HD2      LEU  20  -7.931 -11.756  -1.753
  155   HD22  LEU  20          1HD2      LEU  20  -9.091 -11.606  -3.073
  156   HD23  LEU  20          2HD2      LEU  20  -7.695 -12.670  -3.244
  157    H    LEU  21           HN       LEU  21  -6.646 -12.681   1.958
  158    HA   LEU  21           HA       LEU  21  -9.042 -12.244   3.319
  159    HB2  LEU  21           2HB      LEU  21  -8.801 -13.815   5.208
  160    HB3  LEU  21           1HB      LEU  21  -9.165 -14.617   3.695
  161    HG   LEU  21           HG       LEU  21  -6.509 -14.899   3.657
  162   HD11  LEU  21          1HD1      LEU  21  -7.185 -14.820   6.593
  163   HD12  LEU  21          2HD1      LEU  21  -6.122 -13.702   5.740
  164   HD13  LEU  21          3HD1      LEU  21  -5.673 -15.399   5.899
  165   HD21  LEU  21          3HD2      LEU  21  -8.479 -16.602   5.173
  166   HD22  LEU  21          1HD2      LEU  21  -6.869 -17.126   4.685
  167   HD23  LEU  21          2HD2      LEU  21  -8.070 -16.715   3.463
  168    H    ARG  22           HN       ARG  22  -5.586 -12.737   3.407
  169    HA   ARG  22           HA       ARG  22  -5.093 -11.240   5.771
  170    HB2  ARG  22           2HB      ARG  22  -3.379 -12.234   3.523
  171    HB3  ARG  22           1HB      ARG  22  -2.719 -11.107   4.697
  172    HG2  ARG  22           2HG      ARG  22  -3.199 -12.663   6.497
  173    HG3  ARG  22           1HG      ARG  22  -3.929 -13.787   5.348
  174    HD2  ARG  22           2HD      ARG  22  -1.863 -14.215   4.297
  175    HD3  ARG  22           1HD      ARG  22  -1.095 -12.829   5.067
  176    HE   ARG  22           HE       ARG  22  -1.650 -14.268   7.210
  177   HH11  ARG  22          1HH1      ARG  22  -0.448 -15.394   4.112
  178   HH12  ARG  22          2HH1      ARG  22   0.471 -16.693   4.794
  179   HH21  ARG  22          1HH2      ARG  22  -0.403 -15.935   8.116
  180   HH22  ARG  22          2HH2      ARG  22   0.515 -16.996   7.077
  181    H    PHE  23           HN       PHE  23  -5.978 -10.282   2.650
  182    HA   PHE  23           HA       PHE  23  -4.508  -7.905   2.361
  183    HB2  PHE  23           2HB      PHE  23  -6.158  -7.250   0.695
  184    HB3  PHE  23           1HB      PHE  23  -5.747  -8.948   0.499
  185    HD1  PHE  23           1HD      PHE  23  -7.371 -10.696   1.186
  186    HD2  PHE  23           2HD      PHE  23  -8.365  -6.554   1.212
  187    HE1  PHE  23           1HE      PHE  23  -9.759 -11.272   1.261
  188    HE2  PHE  23           2HE      PHE  23 -10.757  -7.129   1.298
  189    HZ   PHE  23           HZ       PHE  23 -11.455  -9.490   1.323
  190    H    THR  24           HN       THR  24  -7.590  -8.581   3.966
  191    HA   THR  24           HA       THR  24  -8.158  -5.850   4.517
  192    HB   THR  24           HB       THR  24  -9.925  -7.598   4.475
  193    HG1  THR  24           1HG      THR  24 -11.097  -6.464   5.859
  194   HG21  THR  24          3HG2      THR  24 -10.269  -9.010   6.456
  195   HG22  THR  24          1HG2      THR  24  -8.731  -8.448   7.114
  196   HG23  THR  24          2HG2      THR  24  -8.760  -9.397   5.626
  197    H    LEU  25           HN       LEU  25  -6.412  -8.392   6.211
  198    HA   LEU  25           HA       LEU  25  -6.078  -7.051   8.669
  199    HB2  LEU  25           2HB      LEU  25  -4.354  -9.093   7.268
  200    HB3  LEU  25           1HB      LEU  25  -3.955  -8.449   8.847
  201    HG   LEU  25           HG       LEU  25  -6.243  -9.330   9.595
  202   HD11  LEU  25          1HD1      LEU  25  -7.134 -11.189   8.313
  203   HD12  LEU  25          2HD1      LEU  25  -5.930 -10.913   7.054
  204   HD13  LEU  25          3HD1      LEU  25  -7.171  -9.700   7.368
  205   HD21  LEU  25          3HD2      LEU  25  -4.127 -10.323  10.260
  206   HD22  LEU  25          1HD2      LEU  25  -4.078 -11.254   8.763
  207   HD23  LEU  25          2HD2      LEU  25  -5.336 -11.572   9.957
  208    H    GLY  26           HN       GLY  26  -4.052  -7.196   5.760
  209    HA2  GLY  26           2HA      GLY  26  -1.971  -5.565   6.696
  210    HA3  GLY  26           1HA      GLY  26  -2.366  -5.838   5.006
  211    H    LYS  27           HN       LYS  27  -4.898  -4.733   4.885
  212    HA   LYS  27           HA       LYS  27  -4.337  -1.994   4.612
  213    HB2  LYS  27           2HB      LYS  27  -6.074  -3.216   3.327
  214    HB3  LYS  27           1HB      LYS  27  -7.042  -3.337   4.787
  215    HG2  LYS  27           2HG      LYS  27  -7.350  -0.969   4.862
  216    HG3  LYS  27           1HG      LYS  27  -6.202  -0.731   3.544
  217    HD2  LYS  27           2HD      LYS  27  -7.683  -1.922   2.018
  218    HD3  LYS  27           1HD      LYS  27  -8.820  -2.220   3.334
  219    HE2  LYS  27           2HE      LYS  27  -7.995   0.532   2.424
  220    HE3  LYS  27           1HE      LYS  27  -9.414  -0.315   1.812
  221    HZ1  LYS  27           3HZ      LYS  27 -10.370  -0.327   3.982
  222    HZ2  LYS  27           1HZ      LYS  27  -9.889   1.261   3.641
  223    HZ3  LYS  27           2HZ      LYS  27  -8.960   0.298   4.688
  224    H    THR  28           HN       THR  28  -5.933  -3.843   7.163
  225    HA   THR  28           HA       THR  28  -6.755  -1.598   8.687
  226    HB   THR  28           HB       THR  28  -6.243  -4.423   9.649
  227    HG1  THR  28           1HG      THR  28  -7.804  -4.416   8.012
  228   HG21  THR  28          3HG2      THR  28  -7.930  -2.210  10.834
  229   HG22  THR  28          1HG2      THR  28  -6.396  -2.790  11.478
  230   HG23  THR  28          2HG2      THR  28  -7.801  -3.855  11.454
  231    H    TYR  29           HN       TYR  29  -3.824  -3.610   8.732
  232    HA   TYR  29           HA       TYR  29  -2.581  -2.410  10.947
  233    HB2  TYR  29           2HB      TYR  29  -1.410  -3.601   8.430
  234    HB3  TYR  29           1HB      TYR  29  -0.407  -2.976   9.729
  235    HD1  TYR  29           1HD      TYR  29  -1.117  -3.981  12.142
  236    HD2  TYR  29           2HD      TYR  29  -1.753  -5.853   8.381
  237    HE1  TYR  29           1HE      TYR  29  -1.186  -6.176  13.254
  238    HE2  TYR  29           2HE      TYR  29  -1.826  -8.051   9.475
  239    HH   TYR  29           HH       TYR  29  -1.857  -8.387  12.953
  240    H    ALA  30           HN       ALA  30  -2.557  -1.544   7.514
  241    HA   ALA  30           HA       ALA  30  -0.795   0.643   7.727
  242    HB1  ALA  30           1HB      ALA  30  -1.592   1.280   5.516
  243    HB2  ALA  30           2HB      ALA  30  -2.957   0.176   5.676
  244    HB3  ALA  30           3HB      ALA  30  -1.314  -0.460   5.600
  245    H    GLU  31           HN       GLU  31  -4.338   0.472   7.764
  246    HA   GLU  31           HA       GLU  31  -4.776   3.247   8.016
  247    HB2  GLU  31           2HB      GLU  31  -6.471   0.872   8.779
  248    HB3  GLU  31           1HB      GLU  31  -7.030   2.535   8.911
  249    HG2  GLU  31           2HG      GLU  31  -6.678   2.831   6.502
  250    HG3  GLU  31           1HG      GLU  31  -6.164   1.150   6.382
  251    H    HIS  32           HN       HIS  32  -3.790   0.862  10.293
  252    HA   HIS  32           HA       HIS  32  -4.502   2.502  12.597
  253    HB2  HIS  32           2HB      HIS  32  -4.394  -0.195  12.253
  254    HB3  HIS  32           1HB      HIS  32  -2.812   0.099  12.966
  255    HD1  HIS  32           1HD      HIS  32  -2.768   0.105  15.451
  256    HD2  HIS  32           2HD      HIS  32  -6.562   0.937  13.941
  257    HE1  HIS  32           1HE      HIS  32  -4.287   0.239  17.454
  258    HE2  HIS  32           2HE      HIS  32  -6.537   0.897  16.536
  259    H    GLU  33           HN       GLU  33  -2.274   2.783  10.373
  260    HA   GLU  33           HA       GLU  33  -0.296   3.851  10.159
  261    HB2  GLU  33           2HB      GLU  33  -1.291   5.226  12.136
  262    HB3  GLU  33           1HB      GLU  33  -0.129   4.340  13.117
  263    HG2  GLU  33           2HG      GLU  33   1.664   5.149  11.582
  264    HG3  GLU  33           1HG      GLU  33   0.457   6.170  10.802
  265    H    GLN  34           HN       GLN  34  -0.660   0.982  11.146
  266    HA   GLN  34           HA       GLN  34   1.952   0.510  12.381
  267    HB2  GLN  34           2HB      GLN  34  -0.317  -0.570  13.112
  268    HB3  GLN  34           1HB      GLN  34  -0.065  -1.623  11.727
  269    HG2  GLN  34           2HG      GLN  34   0.737  -2.701  13.718
  270    HG3  GLN  34           1HG      GLN  34   2.101  -2.307  12.672
  271   HE21  GLN  34          1HE2      GLN  34   3.579  -0.767  13.329
  272   HE22  GLN  34          2HE2      GLN  34   3.621  -0.136  14.935
  273    H    PHE  35           HN       PHE  35   2.100   1.497   9.861
  274    HA   PHE  35           HA       PHE  35   1.999  -0.226   7.681
  275    HB2  PHE  35           2HB      PHE  35   3.963   2.023   8.172
  276    HB3  PHE  35           1HB      PHE  35   3.612   1.299   6.610
  277    HD1  PHE  35           2HD      PHE  35   1.286   1.540   5.669
  278    HD2  PHE  35           1HD      PHE  35   2.667   3.773   9.016
  279    HE1  PHE  35           2HE      PHE  35  -0.502   3.184   5.300
  280    HE2  PHE  35           1HE      PHE  35   0.875   5.423   8.658
  281    HZ   PHE  35           HZ       PHE  35  -0.711   5.131   6.796
  282    H    ASP  36           HN       ASP  36   4.480   0.212  10.094
  283    HA   ASP  36           HA       ASP  36   6.627  -1.142   9.013
  284    HB2  ASP  36           2HB      ASP  36   6.671   0.086  11.140
  285    HB3  ASP  36           1HB      ASP  36   5.663  -1.143  11.884
  286    H    ALA  37           HN       ALA  37   3.975  -2.454  10.939
  287    HA   ALA  37           HA       ALA  37   4.809  -5.186  10.630
  288    HB1  ALA  37           1HB      ALA  37   3.647  -4.472  12.650
  289    HB2  ALA  37           2HB      ALA  37   2.738  -5.734  11.820
  290    HB3  ALA  37           3HB      ALA  37   2.225  -4.050  11.698
  291    H    ALA  38           HN       ALA  38   2.683  -3.007   8.981
  292    HA   ALA  38           HA       ALA  38   1.062  -4.911   7.664
  293    HB1  ALA  38           1HB      ALA  38   0.420  -2.559   7.908
  294    HB2  ALA  38           2HB      ALA  38   0.386  -3.075   6.222
  295    HB3  ALA  38           3HB      ALA  38   1.725  -2.095   6.818
  296    H    LEU  39           HN       LEU  39   4.136  -3.416   6.873
  297    HA   LEU  39           HA       LEU  39   4.206  -3.842   4.138
  298    HB2  LEU  39           2HB      LEU  39   5.859  -2.680   5.862
  299    HB3  LEU  39           1HB      LEU  39   6.728  -4.189   5.678
  300    HG   LEU  39           HG       LEU  39   5.995  -2.346   3.402
  301   HD11  LEU  39          1HD1      LEU  39   7.605  -1.313   4.924
  302   HD12  LEU  39          2HD1      LEU  39   8.353  -1.732   3.383
  303   HD13  LEU  39          3HD1      LEU  39   8.635  -2.739   4.803
  304   HD21  LEU  39          3HD2      LEU  39   7.555  -3.691   2.101
  305   HD22  LEU  39          1HD2      LEU  39   6.242  -4.689   2.727
  306   HD23  LEU  39          2HD2      LEU  39   7.829  -4.740   3.492
  307    HA   PRO  40           HA       PRO  40   6.273  -8.146   4.672
  308    HB2  PRO  40           2HB      PRO  40   6.171  -9.377   7.090
  309    HB3  PRO  40           1HB      PRO  40   7.514  -8.348   6.585
  310    HG2  PRO  40           2HG      PRO  40   5.200  -7.711   8.366
  311    HG3  PRO  40           1HG      PRO  40   6.904  -7.245   8.524
  312    HD2  PRO  40           2HD      PRO  40   4.986  -5.564   7.574
  313    HD3  PRO  40           1HD      PRO  40   6.687  -5.477   7.078
  314    H    HIS  41           HN       HIS  41   3.426  -7.463   6.619
  315    HA   HIS  41           HA       HIS  41   2.255 -10.045   6.372
  316    HB2  HIS  41           2HB      HIS  41   1.720  -7.844   7.903
  317    HB3  HIS  41           1HB      HIS  41   0.413  -7.771   6.728
  318    HD1  HIS  41           1HD      HIS  41   1.376  -9.337   9.845
  319    HD2  HIS  41           2HD      HIS  41  -1.153 -10.286   6.677
  320    HE1  HIS  41           1HE      HIS  41  -0.180 -11.101  10.724
  321    HE2  HIS  41           2HE      HIS  41  -1.564 -11.811   8.742
  322    H    LEU  42           HN       LEU  42   1.908  -7.000   4.613
  323    HA   LEU  42           HA       LEU  42  -0.003  -7.990   2.739
  324    HB2  LEU  42           2HB      LEU  42   1.839  -5.607   2.723
  325    HB3  LEU  42           1HB      LEU  42   0.760  -5.968   1.389
  326    HG   LEU  42           HG       LEU  42  -0.147  -5.466   4.225
  327   HD11  LEU  42          1HD1      LEU  42  -0.904  -3.296   3.394
  328   HD12  LEU  42          2HD1      LEU  42  -0.178  -3.639   1.823
  329   HD13  LEU  42          3HD1      LEU  42   0.844  -3.461   3.248
  330   HD21  LEU  42          3HD2      LEU  42  -1.651  -6.885   2.917
  331   HD22  LEU  42          1HD2      LEU  42  -1.682  -5.673   1.634
  332   HD23  LEU  42          2HD2      LEU  42  -2.362  -5.300   3.218
  333    H    ARG  43           HN       ARG  43   3.512  -7.578   2.705
  334    HA   ARG  43           HA       ARG  43   3.964  -8.283   0.039
  335    HB2  ARG  43           2HB      ARG  43   5.672  -7.233   1.442
  336    HB3  ARG  43           1HB      ARG  43   5.774  -8.686   2.428
  337    HG2  ARG  43           2HG      ARG  43   6.597  -9.940   0.498
  338    HG3  ARG  43           1HG      ARG  43   6.497  -8.481  -0.490
  339    HD2  ARG  43           2HD      ARG  43   8.148  -7.385   0.894
  340    HD3  ARG  43           1HD      ARG  43   8.184  -8.764   1.993
  341    HE   ARG  43           HE       ARG  43   8.891  -9.956  -0.254
  342   HH11  ARG  43          1HH1      ARG  43   9.983  -6.910   1.099
  343   HH12  ARG  43          2HH1      ARG  43  11.519  -6.956   0.290
  344   HH21  ARG  43          1HH2      ARG  43  10.925 -10.036  -1.299
  345   HH22  ARG  43          2HH2      ARG  43  12.052  -8.725  -1.079
  346    H    ALA  44           HN       ALA  44   3.687 -10.304   2.924
  347    HA   ALA  44           HA       ALA  44   4.463 -12.745   1.786
  348    HB1  ALA  44           1HB      ALA  44   3.274 -13.799   3.634
  349    HB2  ALA  44           2HB      ALA  44   2.457 -12.278   3.991
  350    HB3  ALA  44           3HB      ALA  44   4.204 -12.411   4.198
  351    H    ALA  45           HN       ALA  45   1.283 -11.190   1.966
  352    HA   ALA  45           HA       ALA  45  -0.122 -13.335   0.730
  353    HB1  ALA  45           1HB      ALA  45  -0.908 -10.425   0.905
  354    HB2  ALA  45           2HB      ALA  45  -1.222 -11.642   2.143
  355    HB3  ALA  45           3HB      ALA  45  -1.976 -11.786   0.556
  356    H    LEU  46           HN       LEU  46   1.275 -10.314  -0.438
  357    HA   LEU  46           HA       LEU  46   0.405 -10.521  -3.111
  358    HB2  LEU  46           2HB      LEU  46   2.734  -9.054  -1.881
  359    HB3  LEU  46           1HB      LEU  46   2.285  -8.907  -3.569
  360    HG   LEU  46           HG       LEU  46   0.544  -8.149  -1.222
  361   HD11  LEU  46          1HD1      LEU  46   0.918  -5.855  -1.990
  362   HD12  LEU  46          2HD1      LEU  46   2.025  -6.450  -3.227
  363   HD13  LEU  46          3HD1      LEU  46   2.428  -6.632  -1.521
  364   HD21  LEU  46          3HD2      LEU  46   0.109  -7.873  -4.194
  365   HD22  LEU  46          1HD2      LEU  46  -0.927  -7.185  -2.944
  366   HD23  LEU  46          2HD2      LEU  46  -0.777  -8.935  -3.100
  367    H    ASP  47           HN       ASP  47   3.004 -12.027  -1.397
  368    HA   ASP  47           HA       ASP  47   4.629 -12.662  -3.624
  369    HB2  ASP  47           2HB      ASP  47   5.076 -12.838  -1.028
  370    HB3  ASP  47           1HB      ASP  47   4.480 -14.480  -1.255
  371    H    PHE  48           HN       PHE  48   1.817 -14.170  -2.172
  372    HA   PHE  48           HA       PHE  48   2.016 -16.578  -3.730
  373    HB2  PHE  48           2HB      PHE  48  -0.318 -15.455  -2.165
  374    HB3  PHE  48           1HB      PHE  48  -0.237 -17.071  -2.854
  375    HD1  PHE  48           1HD      PHE  48   2.179 -18.234  -2.144
  376    HD2  PHE  48           2HD      PHE  48  -0.092 -15.422   0.099
  377    HE1  PHE  48           1HE      PHE  48   3.196 -19.074  -0.069
  378    HE2  PHE  48           2HE      PHE  48   0.928 -16.252   2.179
  379    HZ   PHE  48           HZ       PHE  48   2.572 -18.081   2.094
  380    H    ASP  49           HN       ASP  49   0.097 -13.603  -3.853
  381    HA   ASP  49           HA       ASP  49  -0.404 -14.064  -6.682
  382    HB2  ASP  49           2HB      ASP  49  -2.321 -15.080  -5.331
  383    HB3  ASP  49           1HB      ASP  49  -2.735 -13.431  -4.872
  384    HA   PRO  50           HA       PRO  50   0.809  -9.793  -5.677
  385    HB2  PRO  50           2HB      PRO  50   2.065  -9.322  -8.031
  386    HB3  PRO  50           1HB      PRO  50   2.822 -10.191  -6.691
  387    HG2  PRO  50           2HG      PRO  50   1.522 -11.271  -9.160
  388    HG3  PRO  50           1HG      PRO  50   3.028 -11.777  -8.374
  389    HD2  PRO  50           2HD      PRO  50   0.693 -13.121  -8.063
  390    HD3  PRO  50           1HD      PRO  50   1.927 -13.038  -6.790
  391    H    THR  51           HN       THR  51  -1.464 -11.015  -7.773
  392    HA   THR  51           HA       THR  51  -1.820  -8.840  -9.572
  393    HB   THR  51           HB       THR  51  -4.134 -10.596  -9.017
  394    HG1  THR  51           1HG      THR  51  -2.711 -12.220  -8.784
  395   HG21  THR  51          3HG2      THR  51  -4.107 -10.783 -11.469
  396   HG22  THR  51          1HG2      THR  51  -2.606  -9.859 -11.517
  397   HG23  THR  51          2HG2      THR  51  -4.092  -9.100 -10.943
  398    H    TYR  52           HN       TYR  52  -2.404  -8.914  -6.310
  399    HA   TYR  52           HA       TYR  52  -4.992  -7.664  -6.312
  400    HB2  TYR  52           2HB      TYR  52  -3.689  -9.064  -4.418
  401    HB3  TYR  52           1HB      TYR  52  -3.295  -7.427  -3.897
  402    HD1  TYR  52           1HD      TYR  52  -6.135  -9.645  -4.774
  403    HD2  TYR  52           2HD      TYR  52  -4.880  -6.149  -2.701
  404    HE1  TYR  52           1HE      TYR  52  -8.359  -9.463  -3.752
  405    HE2  TYR  52           2HE      TYR  52  -7.106  -5.961  -1.668
  406    HH   TYR  52           HH       TYR  52  -9.442  -8.476  -1.868
  407    H    SER  53           HN       SER  53  -4.827  -5.893  -7.552
  408    HA   SER  53           HA       SER  53  -2.821  -4.008  -7.674
  409    HB2  SER  53           2HB      SER  53  -4.709  -2.546  -8.615
  410    HB3  SER  53           1HB      SER  53  -4.394  -4.087  -9.416
  411    HG   SER  53           HG       SER  53  -6.510  -4.233  -9.114
  412    H    VAL  54           HN       VAL  54  -5.603  -4.107  -5.518
  413    HA   VAL  54           HA       VAL  54  -5.556  -1.489  -4.561
  414    HB   VAL  54           HB       VAL  54  -6.253  -3.968  -2.977
  415   HG11  VAL  54          1HG1      VAL  54  -7.735  -2.458  -1.711
  416   HG12  VAL  54          2HG1      VAL  54  -7.099  -1.090  -2.622
  417   HG13  VAL  54          3HG1      VAL  54  -6.037  -2.010  -1.557
  418   HG21  VAL  54          3HG2      VAL  54  -8.551  -3.611  -3.749
  419   HG22  VAL  54          1HG2      VAL  54  -7.455  -3.905  -5.100
  420   HG23  VAL  54          2HG2      VAL  54  -8.007  -2.267  -4.753
  421    H    ALA  55           HN       ALA  55  -3.606  -4.269  -3.668
  422    HA   ALA  55           HA       ALA  55  -2.563  -3.139  -1.279
  423    HB1  ALA  55           1HB      ALA  55  -1.481  -5.401  -2.947
  424    HB2  ALA  55           2HB      ALA  55  -2.646  -5.550  -1.629
  425    HB3  ALA  55           3HB      ALA  55  -1.002  -5.000  -1.298
  426    H    TRP  56           HN       TRP  56  -1.635  -2.963  -4.646
  427    HA   TRP  56           HA       TRP  56   1.079  -2.248  -4.306
  428    HB2  TRP  56           2HB      TRP  56  -0.721  -1.276  -6.533
  429    HB3  TRP  56           1HB      TRP  56   1.023  -1.478  -6.583
  430    HD1  TRP  56           1HD      TRP  56   0.640  -4.564  -5.174
  431    HE1  TRP  56           1HE      TRP  56   0.035  -6.453  -6.815
  432    HE3  TRP  56           3HE      TRP  56  -1.122  -1.741  -9.060
  433    HZ2  TRP  56           2HZ      TRP  56  -1.043  -6.714  -9.394
  434    HZ3  TRP  56           3HZ      TRP  56  -1.927  -2.900 -11.076
  435    HH2  TRP  56           2HH      TRP  56  -1.888  -5.333 -11.237
  436    H    LYS  57           HN       LYS  57  -1.844  -0.326  -4.667
  437    HA   LYS  57           HA       LYS  57  -0.677   2.210  -4.553
  438    HB2  LYS  57           2HB      LYS  57  -2.770   2.438  -5.327
  439    HB3  LYS  57           1HB      LYS  57  -3.349   1.028  -4.470
  440    HG2  LYS  57           2HG      LYS  57  -3.520   2.403  -2.414
  441    HG3  LYS  57           1HG      LYS  57  -3.051   3.814  -3.372
  442    HD2  LYS  57           2HD      LYS  57  -4.992   3.589  -4.761
  443    HD3  LYS  57           1HD      LYS  57  -5.418   2.054  -4.002
  444    HE2  LYS  57           2HE      LYS  57  -5.796   3.221  -1.879
  445    HE3  LYS  57           1HE      LYS  57  -5.371   4.752  -2.650
  446    HZ1  LYS  57           3HZ      LYS  57  -7.238   4.489  -4.149
  447    HZ2  LYS  57           1HZ      LYS  57  -7.769   4.446  -2.539
  448    HZ3  LYS  57           2HZ      LYS  57  -7.649   3.008  -3.426
  449    H    TRP  58           HN       TRP  58  -1.942   0.127  -1.974
  450    HA   TRP  58           HA       TRP  58  -1.497   2.087   0.065
  451    HB2  TRP  58           2HB      TRP  58  -2.205  -0.830   0.125
  452    HB3  TRP  58           1HB      TRP  58  -1.804   0.040   1.602
  453    HD1  TRP  58           1HD      TRP  58  -4.579  -0.433  -0.921
  454    HE1  TRP  58           1HE      TRP  58  -6.679   0.844  -0.136
  455    HE3  TRP  58           3HE      TRP  58  -2.511   2.232   2.932
  456    HZ2  TRP  58           2HZ      TRP  58  -7.359   2.720   1.860
  457    HZ3  TRP  58           3HZ      TRP  58  -3.961   3.737   4.231
  458    HH2  TRP  58           2HH      TRP  58  -6.332   3.978   3.701
  459    H    LEU  59           HN       LEU  59   0.401  -0.443  -1.377
  460    HA   LEU  59           HA       LEU  59   2.320  -0.847   0.610
  461    HB2  LEU  59           2HB      LEU  59   1.964  -2.109  -1.585
  462    HB3  LEU  59           1HB      LEU  59   2.895  -0.840  -2.350
  463    HG   LEU  59           HG       LEU  59   4.048  -2.416  -0.062
  464   HD11  LEU  59          1HD1      LEU  59   3.280  -4.035  -1.728
  465   HD12  LEU  59          2HD1      LEU  59   5.040  -3.942  -1.672
  466   HD13  LEU  59          3HD1      LEU  59   4.158  -3.158  -2.982
  467   HD21  LEU  59          3HD2      LEU  59   5.214  -0.377  -0.760
  468   HD22  LEU  59          1HD2      LEU  59   5.297  -0.991  -2.411
  469   HD23  LEU  59          2HD2      LEU  59   6.162  -1.819  -1.118
  470    H    GLY  60           HN       GLY  60   2.166   1.581  -1.976
  471    HA2  GLY  60           2HA      GLY  60   4.612   2.850  -1.447
  472    HA3  GLY  60           1HA      GLY  60   3.210   3.624  -2.174
  473    H    LYS  61           HN       LYS  61   1.394   3.457  -0.098
  474    HA   LYS  61           HA       LYS  61   2.189   5.606   1.569
  475    HB2  LYS  61           2HB      LYS  61  -0.178   3.748   1.603
  476    HB3  LYS  61           1HB      LYS  61   0.051   4.971   2.847
  477    HG2  LYS  61           2HG      LYS  61   0.053   6.711   1.118
  478    HG3  LYS  61           1HG      LYS  61  -0.218   5.474  -0.110
  479    HD2  LYS  61           2HD      LYS  61  -2.282   6.686   0.604
  480    HD3  LYS  61           1HD      LYS  61  -2.364   4.937   0.811
  481    HE2  LYS  61           2HE      LYS  61  -2.061   5.102   3.147
  482    HE3  LYS  61           1HE      LYS  61  -1.556   6.785   3.040
  483    HZ1  LYS  61           3HZ      LYS  61  -3.725   7.488   2.622
  484    HZ2  LYS  61           1HZ      LYS  61  -3.898   6.328   3.845
  485    HZ3  LYS  61           2HZ      LYS  61  -4.272   5.930   2.237
  486    H    THR  62           HN       THR  62   2.425   2.178   1.844
  487    HA   THR  62           HA       THR  62   2.667   1.933   4.637
  488    HB   THR  62           HB       THR  62   3.932   0.223   2.485
  489    HG1  THR  62           1HG      THR  62   1.546   0.489   2.493
  490   HG21  THR  62          3HG2      THR  62   3.927  -1.540   4.199
  491   HG22  THR  62          1HG2      THR  62   3.329  -0.377   5.385
  492   HG23  THR  62          2HG2      THR  62   4.931  -0.173   4.676
  493    H    LEU  63           HN       LEU  63   5.165   2.252   2.102
  494    HA   LEU  63           HA       LEU  63   7.330   2.491   3.888
  495    HB2  LEU  63           2HB      LEU  63   6.886   3.258   1.024
  496    HB3  LEU  63           1HB      LEU  63   8.377   3.678   1.841
  497    HG   LEU  63           HG       LEU  63   8.560   1.643   0.481
  498   HD11  LEU  63          1HD1      LEU  63  10.037   1.949   2.385
  499   HD12  LEU  63          2HD1      LEU  63   9.639   0.244   2.174
  500   HD13  LEU  63          3HD1      LEU  63   8.849   1.183   3.443
  501   HD21  LEU  63          3HD2      LEU  63   6.337   0.746   0.690
  502   HD22  LEU  63          1HD2      LEU  63   6.573   0.491   2.419
  503   HD23  LEU  63          2HD2      LEU  63   7.513  -0.440   1.253
  504    H    GLN  64           HN       GLN  64   5.150   4.829   2.435
  505    HA   GLN  64           HA       GLN  64   6.500   7.196   3.086
  506    HB2  GLN  64           2HB      GLN  64   4.406   6.727   1.588
  507    HB3  GLN  64           1HB      GLN  64   3.502   6.995   3.068
  508    HG2  GLN  64           2HG      GLN  64   5.453   9.008   1.999
  509    HG3  GLN  64           1HG      GLN  64   3.773   8.958   1.481
  510   HE21  GLN  64          1HE2      GLN  64   5.137  11.091   2.814
  511   HE22  GLN  64          2HE2      GLN  64   4.322  11.353   4.319
  512    H    GLY  65           HN       GLY  65   3.915   5.474   4.841
  513    HA2  GLY  65           2HA      GLY  65   4.013   7.260   7.082
  514    HA3  GLY  65           1HA      GLY  65   3.136   5.740   6.999
  515    H    GLN  66           HN       GLN  66   5.719   4.392   6.194
  516    HA   GLN  66           HA       GLN  66   6.576   3.612   8.789
  517    HB2  GLN  66           2HB      GLN  66   6.614   2.182   6.705
  518    HB3  GLN  66           1HB      GLN  66   7.990   3.125   6.158
  519    HG2  GLN  66           2HG      GLN  66   8.099   1.776   8.814
  520    HG3  GLN  66           1HG      GLN  66   8.332   0.832   7.346
  521   HE21  GLN  66          1HE2      GLN  66   9.604   3.077   5.949
  522   HE22  GLN  66          2HE2      GLN  66  11.196   3.201   6.608
  523    H    GLY  67           HN       GLY  67   7.640   5.980   6.468
  524    HA2  GLY  67           2HA      GLY  67   8.776   7.909   7.529
  525    HA3  GLY  67           1HA      GLY  67   9.803   6.734   8.333
  526    H    ASP  68           HN       ASP  68   9.130   5.765   5.190
  527    HA   ASP  68           HA       ASP  68  11.698   6.876   4.259
  528    HB2  ASP  68           2HB      ASP  68  11.595   4.374   4.576
  529    HB3  ASP  68           1HB      ASP  68  10.379   4.322   3.306
  530    H    ARG  69           HN       ARG  69  10.930   8.706   3.272
  531    HA   ARG  69           HA       ARG  69   8.576   8.791   1.694
  532    HB2  ARG  69           2HB      ARG  69   9.963  10.718   2.807
  533    HB3  ARG  69           1HB      ARG  69  10.824  10.725   1.273
  534    HG2  ARG  69           2HG      ARG  69   8.547  10.934   0.166
  535    HG3  ARG  69           1HG      ARG  69   7.919  11.279   1.777
  536    HD2  ARG  69           2HD      ARG  69   9.913  12.859   0.175
  537    HD3  ARG  69           1HD      ARG  69   8.325  13.367   0.739
  538    HE   ARG  69           HE       ARG  69  10.792  13.490   2.173
  539   HH11  ARG  69          1HH1      ARG  69   7.298  13.150   2.587
  540   HH12  ARG  69          2HH1      ARG  69   7.323  13.793   4.206
  541   HH21  ARG  69          1HH2      ARG  69  10.788  14.372   4.267
  542   HH22  ARG  69          2HH2      ARG  69   9.288  14.517   5.149
  543    H    ALA  70           HN       ALA  70  11.979   8.297   0.923
  544    HA   ALA  70           HA       ALA  70  11.705   8.449  -1.895
  545    HB1  ALA  70           1HB      ALA  70  13.804   7.071  -0.224
  546    HB2  ALA  70           2HB      ALA  70  13.861   8.734  -0.807
  547    HB3  ALA  70           3HB      ALA  70  13.922   7.397  -1.955
  548    H    GLY  71           HN       GLY  71  11.569   5.829   0.445
  549    HA2  GLY  71           2HA      GLY  71  11.339   3.715  -1.427
  550    HA3  GLY  71           1HA      GLY  71  10.858   3.654   0.264
  551    H    ALA  72           HN       ALA  72   9.061   5.945  -0.041
  552    HA   ALA  72           HA       ALA  72   6.691   4.578  -0.732
  553    HB1  ALA  72           1HB      ALA  72   6.777   6.435   0.876
  554    HB2  ALA  72           2HB      ALA  72   5.570   6.693  -0.384
  555    HB3  ALA  72           3HB      ALA  72   7.113   7.547  -0.450
  556    H    ARG  73           HN       ARG  73   8.505   7.152  -2.406
  557    HA   ARG  73           HA       ARG  73   6.658   7.298  -4.557
  558    HB2  ARG  73           2HB      ARG  73   8.382   8.632  -5.724
  559    HB3  ARG  73           1HB      ARG  73   8.041   9.206  -4.100
  560    HG2  ARG  73           2HG      ARG  73  10.084   8.314  -3.270
  561    HG3  ARG  73           1HG      ARG  73  10.387   7.455  -4.783
  562    HD2  ARG  73           2HD      ARG  73  10.577   9.590  -5.960
  563    HD3  ARG  73           1HD      ARG  73  10.265  10.452  -4.454
  564    HE   ARG  73           HE       ARG  73  12.429  10.044  -3.791
  565   HH11  ARG  73          1HH1      ARG  73  11.695   8.092  -6.602
  566   HH12  ARG  73          2HH1      ARG  73  13.349   7.634  -6.878
  567   HH21  ARG  73          1HH2      ARG  73  14.595   9.476  -4.156
  568   HH22  ARG  73          2HH2      ARG  73  15.013   8.443  -5.496
  569    H    GLN  74           HN       GLN  74   9.739   5.570  -4.169
  570    HA   GLN  74           HA       GLN  74   9.847   4.640  -6.835
  571    HB2  GLN  74           2HB      GLN  74  11.520   3.048  -6.075
  572    HB3  GLN  74           1HB      GLN  74  11.817   4.626  -5.366
  573    HG2  GLN  74           2HG      GLN  74  12.166   3.305  -3.554
  574    HG3  GLN  74           1HG      GLN  74  10.443   3.622  -3.367
  575   HE21  GLN  74          1HE2      GLN  74  10.060   1.762  -2.205
  576   HE22  GLN  74          2HE2      GLN  74  10.116   0.187  -2.914
  577    H    ALA  75           HN       ALA  75   8.232   3.453  -3.976
  578    HA   ALA  75           HA       ALA  75   7.550   0.886  -4.912
  579    HB1  ALA  75           1HB      ALA  75   7.348   1.509  -2.559
  580    HB2  ALA  75           2HB      ALA  75   5.808   0.918  -3.182
  581    HB3  ALA  75           3HB      ALA  75   6.065   2.648  -2.959
  582    H    TRP  76           HN       TRP  76   5.915   4.022  -5.179
  583    HA   TRP  76           HA       TRP  76   3.640   2.979  -6.532
  584    HB2  TRP  76           2HB      TRP  76   4.728   5.774  -6.223
  585    HB3  TRP  76           1HB      TRP  76   3.271   5.423  -7.147
  586    HD1  TRP  76           1HD      TRP  76   1.869   3.353  -5.238
  587    HE1  TRP  76           1HE      TRP  76   0.900   4.125  -2.981
  588    HE3  TRP  76           3HE      TRP  76   4.621   7.622  -4.596
  589    HZ2  TRP  76           2HZ      TRP  76   1.263   6.263  -1.169
  590    HZ3  TRP  76           3HZ      TRP  76   4.244   8.970  -2.575
  591    HH2  TRP  76           2HH      TRP  76   2.599   8.305  -0.898
  592    H    GLU  77           HN       GLU  77   6.709   4.390  -7.595
  593    HA   GLU  77           HA       GLU  77   6.141   4.477 -10.342
  594    HB2  GLU  77           2HB      GLU  77   8.775   3.997  -8.934
  595    HB3  GLU  77           1HB      GLU  77   8.618   4.296 -10.659
  596    HG2  GLU  77           2HG      GLU  77   7.582   6.492 -10.125
  597    HG3  GLU  77           1HG      GLU  77   7.923   6.186  -8.422
  598    H    SER  78           HN       SER  78   7.333   1.868  -8.288
  599    HA   SER  78           HA       SER  78   7.674   0.001 -10.426
  600    HB2  SER  78           2HB      SER  78   8.819  -0.061  -8.145
  601    HB3  SER  78           1HB      SER  78   7.298  -0.673  -7.500
  602    HG   SER  78           HG       SER  78   7.672  -2.566  -8.377
  603    H    GLY  79           HN       GLY  79   5.117   0.654  -8.058
  604    HA2  GLY  79           2HA      GLY  79   3.475  -1.557  -8.700
  605    HA3  GLY  79           1HA      GLY  79   2.955  -0.090  -7.889
  606    H    LEU  80           HN       LEU  80   3.813   1.597 -10.161
  607    HA   LEU  80           HA       LEU  80   1.413   1.737 -11.584
  608    HB2  LEU  80           2HB      LEU  80   3.408   3.417 -11.334
  609    HB3  LEU  80           1HB      LEU  80   3.983   2.654 -12.797
  610    HG   LEU  80           HG       LEU  80   1.898   3.267 -13.954
  611   HD11  LEU  80          1HD1      LEU  80   1.233   4.727 -11.404
  612   HD12  LEU  80          2HD1      LEU  80   0.419   3.285 -12.010
  613   HD13  LEU  80          3HD1      LEU  80   0.322   4.798 -12.910
  614   HD21  LEU  80          3HD2      LEU  80   3.311   5.574 -12.621
  615   HD22  LEU  80          1HD2      LEU  80   2.307   5.686 -14.068
  616   HD23  LEU  80          2HD2      LEU  80   3.808   4.761 -14.105
  617    H    ALA  81           HN       ALA  81   4.550   0.433 -12.528
  618    HA   ALA  81           HA       ALA  81   3.857  -0.518 -15.078
  619    HB1  ALA  81           1HB      ALA  81   6.169  -0.294 -14.308
  620    HB2  ALA  81           2HB      ALA  81   5.843  -1.914 -14.925
  621    HB3  ALA  81           3HB      ALA  81   5.923  -1.632 -13.185
  622    H    ALA  82           HN       ALA  82   3.451  -1.981 -11.908
  623    HA   ALA  82           HA       ALA  82   2.714  -4.555 -12.815
  624    HB1  ALA  82           1HB      ALA  82   3.311  -4.114 -10.488
  625    HB2  ALA  82           2HB      ALA  82   1.713  -4.851 -10.604
  626    HB3  ALA  82           3HB      ALA  82   1.866  -3.122 -10.297
  627    H    ALA  83           HN       ALA  83   0.863  -1.620 -12.162
  628    HA   ALA  83           HA       ALA  83  -1.677  -2.718 -12.829
  629    HB1  ALA  83           1HB      ALA  83  -1.418  -0.707 -11.442
  630    HB2  ALA  83           2HB      ALA  83  -2.461  -0.413 -12.834
  631    HB3  ALA  83           3HB      ALA  83  -0.797   0.171 -12.838
  632    H    GLN  84           HN       GLN  84   0.753  -0.877 -14.612
  633    HA   GLN  84           HA       GLN  84  -0.571  -0.605 -17.044
  634    HB2  GLN  84           2HB      GLN  84   2.349  -0.907 -16.358
  635    HB3  GLN  84           1HB      GLN  84   1.795  -0.591 -17.992
  636    HG2  GLN  84           2HG      GLN  84   1.109   1.174 -15.665
  637    HG3  GLN  84           1HG      GLN  84   2.542   1.410 -16.662
  638   HE21  GLN  84          1HE2      GLN  84   2.319   2.130 -18.748
  639   HE22  GLN  84          2HE2      GLN  84   0.849   2.813 -19.352
  640    H    SER  85           HN       SER  85   1.421  -3.252 -15.812
  641    HA   SER  85           HA       SER  85   1.498  -4.862 -18.071
  642    HB2  SER  85           2HB      SER  85   1.335  -5.726 -15.178
  643    HB3  SER  85           1HB      SER  85   1.834  -6.759 -16.518
  644    HG   SER  85           HG       SER  85   3.115  -4.347 -15.716
  645    H    ARG  86           HN       ARG  86  -1.066  -4.659 -15.626
  646    HA   ARG  86           HA       ARG  86  -2.645  -6.655 -17.029
  647    HB2  ARG  86           2HB      ARG  86  -2.844  -5.208 -14.438
  648    HB3  ARG  86           1HB      ARG  86  -4.325  -5.826 -15.152
  649    HG2  ARG  86           2HG      ARG  86  -1.877  -7.454 -14.514
  650    HG3  ARG  86           1HG      ARG  86  -3.352  -7.386 -13.553
  651    HD2  ARG  86           2HD      ARG  86  -4.507  -8.071 -15.788
  652    HD3  ARG  86           1HD      ARG  86  -2.893  -8.603 -16.248
  653    HE   ARG  86           HE       ARG  86  -4.488  -9.685 -14.019
  654   HH11  ARG  86          1HH1      ARG  86  -1.772  -9.964 -16.228
  655   HH12  ARG  86          2HH1      ARG  86  -1.527 -11.661 -15.896
  656   HH21  ARG  86          1HH2      ARG  86  -4.197 -11.891 -13.627
  657   HH22  ARG  86          2HH2      ARG  86  -2.939 -12.771 -14.450
  658    H    GLY  87           HN       GLY  87  -2.195  -3.320 -17.175
  659    HA2  GLY  87           2HA      GLY  87  -3.273  -1.701 -18.407
  660    HA3  GLY  87           1HA      GLY  87  -4.344  -2.950 -19.013
  661    H    ASP  88           HN       ASP  88  -3.785  -2.080 -15.677
  662    HA   ASP  88           HA       ASP  88  -6.644  -1.677 -15.330
  663    HB2  ASP  88           2HB      ASP  88  -5.300  -3.162 -13.751
  664    HB3  ASP  88           1HB      ASP  88  -4.559  -1.684 -13.141
  665    H    GLN  89           HN       GLN  89  -6.890   0.266 -16.269
  666    HA   GLN  89           HA       GLN  89  -5.283   2.518 -15.965
  667    HB2  GLN  89           2HB      GLN  89  -8.212   2.278 -16.632
  668    HB3  GLN  89           1HB      GLN  89  -7.258   3.729 -16.839
  669    HG2  GLN  89           2HG      GLN  89  -6.810   1.101 -18.223
  670    HG3  GLN  89           1HG      GLN  89  -7.516   2.546 -18.939
  671   HE21  GLN  89          1HE2      GLN  89  -4.595   1.056 -17.784
  672   HE22  GLN  89          2HE2      GLN  89  -3.496   2.172 -18.514
  673    H    GLN  90           HN       GLN  90  -8.008   1.399 -14.083
  674    HA   GLN  90           HA       GLN  90  -8.533   3.683 -12.583
  675    HB2  GLN  90           2HB      GLN  90  -9.988   1.740 -12.483
  676    HB3  GLN  90           1HB      GLN  90  -8.702   0.777 -11.768
  677    HG2  GLN  90           2HG      GLN  90  -8.725   2.395  -9.837
  678    HG3  GLN  90           1HG      GLN  90 -10.201   3.066 -10.526
  679   HE21  GLN  90          1HE2      GLN  90 -11.407   2.480  -8.727
  680   HE22  GLN  90          2HE2      GLN  90 -11.841   0.835  -8.397
  681    H    VAL  91           HN       VAL  91  -6.253   1.039 -11.939
  682    HA   VAL  91           HA       VAL  91  -5.365   2.155  -9.468
  683    HB   VAL  91           HB       VAL  91  -4.099   0.042 -11.216
  684   HG11  VAL  91          1HG1      VAL  91  -2.427   1.100  -9.750
  685   HG12  VAL  91          2HG1      VAL  91  -2.765  -0.560  -9.260
  686   HG13  VAL  91          3HG1      VAL  91  -3.461   0.785  -8.357
  687   HG21  VAL  91          3HG2      VAL  91  -5.783  -0.152  -8.723
  688   HG22  VAL  91          1HG2      VAL  91  -5.021  -1.504  -9.556
  689   HG23  VAL  91          2HG2      VAL  91  -6.289  -0.579 -10.358
  690    H    VAL  92           HN       VAL  92  -4.209   2.279 -12.780
  691    HA   VAL  92           HA       VAL  92  -1.752   3.550 -12.353
  692    HB   VAL  92           HB       VAL  92  -3.649   3.878 -14.690
  693   HG11  VAL  92          1HG1      VAL  92  -1.679   4.609 -15.948
  694   HG12  VAL  92          2HG1      VAL  92  -0.712   4.531 -14.475
  695   HG13  VAL  92          3HG1      VAL  92  -2.028   5.698 -14.603
  696   HG21  VAL  92          3HG2      VAL  92  -2.259   2.199 -15.786
  697   HG22  VAL  92          1HG2      VAL  92  -2.945   1.560 -14.293
  698   HG23  VAL  92          2HG2      VAL  92  -1.258   2.071 -14.340
  699    H    LYS  93           HN       LYS  93  -4.952   4.969 -12.988
  700    HA   LYS  93           HA       LYS  93  -4.147   7.653 -12.797
  701    HB2  LYS  93           2HB      LYS  93  -6.849   6.373 -12.362
  702    HB3  LYS  93           1HB      LYS  93  -6.588   8.114 -12.385
  703    HG2  LYS  93           2HG      LYS  93  -5.745   7.959 -14.677
  704    HG3  LYS  93           1HG      LYS  93  -6.017   6.217 -14.655
  705    HD2  LYS  93           2HD      LYS  93  -8.186   8.266 -14.231
  706    HD3  LYS  93           1HD      LYS  93  -7.812   7.541 -15.793
  707    HE2  LYS  93           2HE      LYS  93  -8.318   5.330 -14.902
  708    HE3  LYS  93           1HE      LYS  93  -8.650   6.031 -13.319
  709    HZ1  LYS  93           3HZ      LYS  93 -10.159   6.663 -15.803
  710    HZ2  LYS  93           1HZ      LYS  93 -10.503   7.235 -14.244
  711    HZ3  LYS  93           2HZ      LYS  93 -10.681   5.589 -14.598
  712    H    GLU  94           HN       GLU  94  -5.348   5.410 -10.324
  713    HA   GLU  94           HA       GLU  94  -5.523   7.173  -8.182
  714    HB2  GLU  94           2HB      GLU  94  -4.881   4.246  -8.391
  715    HB3  GLU  94           1HB      GLU  94  -4.965   5.062  -6.840
  716    HG2  GLU  94           2HG      GLU  94  -7.233   5.291  -8.752
  717    HG3  GLU  94           1HG      GLU  94  -7.038   3.833  -7.787
  718    H    LEU  95           HN       LEU  95  -2.778   5.221  -9.287
  719    HA   LEU  95           HA       LEU  95  -1.025   6.067  -7.227
  720    HB2  LEU  95           2HB      LEU  95  -0.483   4.790  -9.904
  721    HB3  LEU  95           1HB      LEU  95   0.748   5.064  -8.685
  722    HG   LEU  95           HG       LEU  95  -1.691   3.305  -8.341
  723   HD11  LEU  95          1HD1      LEU  95  -0.103   1.460  -8.364
  724   HD12  LEU  95          2HD1      LEU  95   1.219   2.588  -8.667
  725   HD13  LEU  95          3HD1      LEU  95  -0.041   2.359  -9.880
  726   HD21  LEU  95          3HD2      LEU  95  -0.669   2.639  -6.249
  727   HD22  LEU  95          1HD2      LEU  95  -0.981   4.373  -6.260
  728   HD23  LEU  95          2HD2      LEU  95   0.657   3.770  -6.514
  729    H    GLN  96           HN       GLN  96  -1.724   7.288 -10.443
  730    HA   GLN  96           HA       GLN  96   0.397   9.065 -10.767
  731    HB2  GLN  96           2HB      GLN  96  -2.488   9.288 -11.632
  732    HB3  GLN  96           1HB      GLN  96  -1.243  10.430 -12.124
  733    HG2  GLN  96           2HG      GLN  96  -1.063   7.477 -12.646
  734    HG3  GLN  96           1HG      GLN  96  -1.806   8.615 -13.768
  735   HE21  GLN  96          1HE2      GLN  96  -0.292   8.140 -15.348
  736   HE22  GLN  96          2HE2      GLN  96   1.336   8.716 -15.270
  737    H    VAL  97           HN       VAL  97  -2.572   9.388  -8.881
  738    HA   VAL  97           HA       VAL  97  -2.257  12.143  -8.257
  739    HB   VAL  97           HB       VAL  97  -3.729  10.032  -6.664
  740   HG11  VAL  97          1HG1      VAL  97  -5.057  11.940  -5.846
  741   HG12  VAL  97          2HG1      VAL  97  -3.972  13.036  -6.702
  742   HG13  VAL  97          3HG1      VAL  97  -3.361  12.042  -5.379
  743   HG21  VAL  97          3HG2      VAL  97  -4.738  11.843  -8.853
  744   HG22  VAL  97          1HG2      VAL  97  -5.719  10.741  -7.884
  745   HG23  VAL  97          2HG2      VAL  97  -4.494  10.101  -8.980
  746    H    PHE  98           HN       PHE  98  -1.280   9.151  -6.646
  747    HA   PHE  98           HA       PHE  98  -0.291  10.354  -4.287
  748    HB2  PHE  98           2HB      PHE  98   0.319   7.703  -5.589
  749    HB3  PHE  98           1HB      PHE  98   0.996   8.188  -4.039
  750    HD1  PHE  98           2HD      PHE  98  -0.810   9.029  -2.292
  751    HD2  PHE  98           1HD      PHE  98  -1.609   6.457  -5.581
  752    HE1  PHE  98           2HE      PHE  98  -2.821   8.195  -1.143
  753    HE2  PHE  98           1HE      PHE  98  -3.619   5.614  -4.440
  754    HZ   PHE  98           HZ       PHE  98  -4.225   6.483  -2.214
  755    H    LEU  99           HN       LEU  99   1.149   9.733  -7.420
  756    HA   LEU  99           HA       LEU  99   3.839  10.167  -6.729
  757    HB2  LEU  99           2HB      LEU  99   2.396  10.638  -9.337
  758    HB3  LEU  99           1HB      LEU  99   4.138  10.733  -9.152
  759    HG   LEU  99           HG       LEU  99   2.451   8.270  -8.700
  760   HD11  LEU  99          1HD1      LEU  99   2.614   8.841 -11.049
  761   HD12  LEU  99          2HD1      LEU  99   3.592   7.417 -10.694
  762   HD13  LEU  99          3HD1      LEU  99   4.368   8.986 -10.914
  763   HD21  LEU  99          3HD2      LEU  99   5.445   8.636  -8.608
  764   HD22  LEU  99          1HD2      LEU  99   4.583   7.104  -8.460
  765   HD23  LEU  99          2HD2      LEU  99   4.395   8.345  -7.221
  766    H    ARG 100           HN       ARG 100   1.247  12.399  -7.508
  767    HA   ARG 100           HA       ARG 100   2.880  14.731  -7.736
  768    HB2  ARG 100           2HB      ARG 100  -0.006  14.763  -6.885
  769    HB3  ARG 100           1HB      ARG 100   0.862  15.927  -7.875
  770    HG2  ARG 100           2HG      ARG 100   1.011  14.242  -9.648
  771    HG3  ARG 100           1HG      ARG 100   0.033  13.159  -8.669
  772    HD2  ARG 100           2HD      ARG 100  -1.795  14.785  -8.689
  773    HD3  ARG 100           1HD      ARG 100  -0.816  15.872  -9.677
  774    HE   ARG 100           HE       ARG 100  -0.834  14.043 -11.378
  775   HH11  ARG 100          1HH1      ARG 100  -3.424  14.397  -9.039
  776   HH12  ARG 100          2HH1      ARG 100  -4.569  13.499  -9.995
  777   HH21  ARG 100          1HH2      ARG 100  -2.344  12.875 -12.630
  778   HH22  ARG 100          2HH2      ARG 100  -3.974  12.666 -12.044
  779    H    ARG 101           HN       ARG 101   0.890  13.269  -5.295
  780    HA   ARG 101           HA       ARG 101   1.153  15.101  -3.220
  781    HB2  ARG 101           2HB      ARG 101  -0.424  13.218  -3.209
  782    HB3  ARG 101           1HB      ARG 101   0.914  12.090  -3.069
  783    HG2  ARG 101           2HG      ARG 101  -0.051  12.305  -0.926
  784    HG3  ARG 101           1HG      ARG 101   1.486  13.171  -0.888
  785    HD2  ARG 101           2HD      ARG 101   0.349  15.284  -1.132
  786    HD3  ARG 101           1HD      ARG 101  -1.203  14.467  -1.328
  787    HE   ARG 101           HE       ARG 101   0.387  14.485   1.166
  788   HH11  ARG 101          1HH1      ARG 101  -2.678  14.333  -0.534
  789   HH12  ARG 101          2HH1      ARG 101  -3.629  14.288   0.919
  790   HH21  ARG 101          1HH2      ARG 101  -0.862  14.460   3.082
  791   HH22  ARG 101          2HH2      ARG 101  -2.601  14.380   2.979
  792    H    LEU 102           HN       LEU 102   3.157  12.262  -3.982
  793    HA   LEU 102           HA       LEU 102   4.944  12.637  -1.803
  794    HB2  LEU 102           2HB      LEU 102   4.450  10.566  -3.371
  795    HB3  LEU 102           1HB      LEU 102   5.779  11.231  -4.299
  796    HG   LEU 102           HG       LEU 102   6.469   9.438  -2.753
  797   HD11  LEU 102          1HD1      LEU 102   8.087  11.129  -3.430
  798   HD12  LEU 102          2HD1      LEU 102   8.387  10.582  -1.781
  799   HD13  LEU 102          3HD1      LEU 102   7.609  12.139  -2.066
  800   HD21  LEU 102          3HD2      LEU 102   6.511   9.844  -0.353
  801   HD22  LEU 102          1HD2      LEU 102   4.861   9.865  -0.972
  802   HD23  LEU 102          2HD2      LEU 102   5.679  11.380  -0.592
  803    H    ALA 103           HN       ALA 103   5.014  13.564  -5.214
  804    HA   ALA 103           HA       ALA 103   7.648  14.458  -5.362
  805    HB1  ALA 103           1HB      ALA 103   6.946  15.728  -7.322
  806    HB2  ALA 103           2HB      ALA 103   5.256  15.512  -6.865
  807    HB3  ALA 103           3HB      ALA 103   6.230  14.116  -7.325
  808    H    ARG 104           HN       ARG 104   4.737  16.152  -4.293
  809    HA   ARG 104           HA       ARG 104   5.865  18.707  -4.058
  810    HB2  ARG 104           2HB      ARG 104   3.562  17.372  -2.657
  811    HB3  ARG 104           1HB      ARG 104   4.037  19.025  -2.285
  812    HG2  ARG 104           2HG      ARG 104   3.703  19.621  -4.649
  813    HG3  ARG 104           1HG      ARG 104   3.147  17.977  -4.964
  814    HD2  ARG 104           2HD      ARG 104   1.262  18.253  -3.540
  815    HD3  ARG 104           1HD      ARG 104   1.881  19.780  -2.913
  816    HE   ARG 104           HE       ARG 104   1.630  20.419  -5.455
  817   HH11  ARG 104          1HH1      ARG 104  -0.559  18.559  -3.469
  818   HH12  ARG 104          2HH1      ARG 104  -1.987  19.099  -4.295
  819   HH21  ARG 104          1HH2      ARG 104  -0.245  21.139  -6.571
  820   HH22  ARG 104          2HH2      ARG 104  -1.812  20.567  -6.066
  821    H    GLU 105           HN       GLU 105   5.960  15.924  -1.907
  822    HA   GLU 105           HA       GLU 105   7.060  17.360   0.297
  823    HB2  GLU 105           2HB      GLU 105   7.070  14.399  -0.291
  824    HB3  GLU 105           1HB      GLU 105   7.443  15.147   1.245
  825    HG2  GLU 105           2HG      GLU 105   5.101  16.102   1.195
  826    HG3  GLU 105           1HG      GLU 105   4.799  14.991  -0.141
  827    H    ASP 106           HN       ASP 106   8.400  15.223  -2.223
  828    HA   ASP 106           HA       ASP 106  11.049  15.251  -1.192
  829    HB2  ASP 106           2HB      ASP 106  10.032  13.593  -2.864
  830    HB3  ASP 106           1HB      ASP 106  10.364  14.804  -4.092
  831    H    ALA 107           HN       ALA 107   9.340  17.168  -3.552
  832    HA   ALA 107           HA       ALA 107  11.426  18.670  -4.619
  833    HB1  ALA 107           1HB      ALA 107   9.140  18.698  -5.505
  834    HB2  ALA 107           2HB      ALA 107   9.756  20.326  -5.221
  835    HB3  ALA 107           3HB      ALA 107   8.610  19.604  -4.091
  836    H    LEU 108           HN       LEU 108   9.853  18.924  -1.503
  837    HA   LEU 108           HA       LEU 108  10.884  21.519  -0.894
  838    HB2  LEU 108           2HB      LEU 108   9.782  19.347   0.886
  839    HB3  LEU 108           1HB      LEU 108  10.185  20.959   1.419
  840    HG   LEU 108           HG       LEU 108   8.073  20.288  -0.603
  841   HD11  LEU 108          1HD1      LEU 108   7.865  21.154   2.273
  842   HD12  LEU 108          2HD1      LEU 108   7.429  19.575   1.618
  843   HD13  LEU 108          3HD1      LEU 108   6.510  21.006   1.153
  844   HD21  LEU 108          3HD2      LEU 108   9.114  22.473  -0.993
  845   HD22  LEU 108          1HD2      LEU 108   8.780  22.922   0.678
  846   HD23  LEU 108          2HD2      LEU 108   7.448  22.635  -0.442
  847    H    GLU 109           HN       GLU 109  11.988  18.223  -0.488
  848    HA   GLU 109           HA       GLU 109  14.063  19.020   1.365
  849    HB2  GLU 109           2HB      GLU 109  13.563  16.280   0.204
  850    HB3  GLU 109           1HB      GLU 109  14.550  16.668   1.608
  851    HG2  GLU 109           2HG      GLU 109  12.508  17.477   2.757
  852    HG3  GLU 109           1HG      GLU 109  11.559  16.933   1.376
  853    H    HIS 110           HN       HIS 110  13.672  18.541  -1.927
  854    HA   HIS 110           HA       HIS 110  16.575  18.619  -2.369
  855    HB2  HIS 110           2HB      HIS 110  14.382  17.194  -3.845
  856    HB3  HIS 110           1HB      HIS 110  15.876  17.620  -4.654
  857    HD1  HIS 110           1HD      HIS 110  17.886  16.142  -4.256
  858    HD2  HIS 110           2HD      HIS 110  14.708  15.303  -1.700
  859    HE1  HIS 110           1HE      HIS 110  18.510  14.014  -3.065
  860    HE2  HIS 110           2HE      HIS 110  16.657  13.626  -1.400
  861    H    HIS 111           HN       HIS 111  14.539  20.784  -2.037
  862    HA   HIS 111           HA       HIS 111  13.729  21.846  -4.484
  863    HB2  HIS 111           2HB      HIS 111  12.833  22.534  -2.276
  864    HB3  HIS 111           1HB      HIS 111  14.335  23.395  -1.958
  865    HD1  HIS 111           1HD      HIS 111  11.176  23.604  -3.953
  866    HD2  HIS 111           2HD      HIS 111  14.636  25.822  -3.343
  867    HE1  HIS 111           1HE      HIS 111  10.727  25.853  -4.983
  868    HE2  HIS 111           2HE      HIS 111  12.918  27.089  -4.800
  869    H    HIS 112           HN       HIS 112  16.400  23.139  -2.468
  870    HA   HIS 112           HA       HIS 112  17.570  24.133  -4.986
  871    HB2  HIS 112           2HB      HIS 112  16.672  25.797  -3.177
  872    HB3  HIS 112           1HB      HIS 112  18.165  25.403  -2.334
  873    HD1  HIS 112           1HD      HIS 112  17.457  28.245  -3.543
  874    HD2  HIS 112           2HD      HIS 112  19.880  25.374  -5.334
  875    HE1  HIS 112           1HE      HIS 112  18.927  29.497  -5.151
  876    HE2  HIS 112           2HE      HIS 112  20.224  27.717  -6.372
  877    H    HIS 113           HN       HIS 113  18.322  21.710  -4.608
  878    HA   HIS 113           HA       HIS 113  20.717  21.551  -2.987
  879    HB2  HIS 113           2HB      HIS 113  19.276  19.564  -3.296
  880    HB3  HIS 113           1HB      HIS 113  19.594  19.611  -5.025
  881    HD1  HIS 113           1HD      HIS 113  21.163  18.692  -1.754
  882    HD2  HIS 113           2HD      HIS 113  22.092  18.593  -5.810
  883    HE1  HIS 113           1HE      HIS 113  23.215  17.244  -1.949
  884    HE2  HIS 113           2HE      HIS 113  23.781  17.221  -4.409
  885    H    HIS 114           HN       HIS 114  22.615  22.352  -3.665
  886    HA   HIS 114           HA       HIS 114  22.889  23.162  -6.419
  887    HB2  HIS 114           2HB      HIS 114  25.112  24.054  -5.722
  888    HB3  HIS 114           1HB      HIS 114  23.761  24.696  -4.806
  889    HD1  HIS 114           1HD      HIS 114  23.797  24.385  -2.297
  890    HD2  HIS 114           2HD      HIS 114  26.801  22.263  -4.246
  891    HE1  HIS 114           1HE      HIS 114  25.366  23.611  -0.495
  892    HE2  HIS 114           2HE      HIS 114  27.241  22.448  -1.701
  893    H    HIS 115           HN       HIS 115  23.982  22.251  -7.979
  894    HA   HIS 115           HA       HIS 115  25.010  20.667  -9.219
  895    HB2  HIS 115           2HB      HIS 115  26.504  19.987  -6.671
  896    HB3  HIS 115           1HB      HIS 115  26.940  19.455  -8.287
  897    HD1  HIS 115           1HD      HIS 115  28.382  21.474  -6.042
  898    HD2  HIS 115           2HD      HIS 115  26.899  22.321  -9.840
  899    HE1  HIS 115           1HE      HIS 115  29.571  23.561  -6.786
  900    HE2  HIS 115           2HE      HIS 115  28.796  23.953  -9.149
  Start of MODEL   18
    1    H1   MET   1           H1       MET   1  -6.301  -8.855  27.217
    2    H2   MET   1           H2       MET   1  -5.227  -9.729  26.240
    3    H3   MET   1           H3       MET   1  -6.856 -10.199  26.346
    4    HA   MET   1           HA       MET   1  -7.533  -8.112  25.332
    5    HB2  MET   1           2HB      MET   1  -4.544  -7.715  25.139
    6    HB3  MET   1           1HB      MET   1  -5.685  -6.840  24.132
    7    HG2  MET   1           2HG      MET   1  -5.068  -5.449  25.965
    8    HG3  MET   1           1HG      MET   1  -6.744  -5.952  26.186
    9    HE1  MET   1           2HE      MET   1  -5.013  -4.656  28.500
   10    HE2  MET   1           3HE      MET   1  -5.453  -5.693  29.860
   11    HE3  MET   1           1HE      MET   1  -6.684  -5.184  28.703
   12    H    GLN   2           HN       GLN   2  -8.515  -9.278  23.786
   13    HA   GLN   2           HA       GLN   2  -7.042 -10.913  21.925
   14    HB2  GLN   2           2HB      GLN   2  -9.297 -11.190  20.885
   15    HB3  GLN   2           1HB      GLN   2  -9.224 -11.664  22.570
   16    HG2  GLN   2           2HG      GLN   2 -10.330  -9.664  23.250
   17    HG3  GLN   2           1HG      GLN   2 -10.226  -8.991  21.624
   18   HE21  GLN   2          1HE2      GLN   2 -11.622  -9.706  20.044
   19   HE22  GLN   2          2HE2      GLN   2 -13.041 -10.634  20.406
   20    H    ALA   3           HN       ALA   3  -7.598 -10.552  19.498
   21    HA   ALA   3           HA       ALA   3  -7.839  -7.756  18.764
   22    HB1  ALA   3           1HB      ALA   3  -5.445  -7.983  19.232
   23    HB2  ALA   3           2HB      ALA   3  -5.749  -7.688  17.520
   24    HB3  ALA   3           3HB      ALA   3  -5.350  -9.313  18.077
   25    H    ILE   4           HN       ILE   4  -8.568  -7.441  16.739
   26    HA   ILE   4           HA       ILE   4  -9.874  -9.480  15.344
   27    HB   ILE   4           HB       ILE   4  -8.926  -6.782  14.370
   28   HG12  ILE   4          2HG1      ILE   4 -11.629  -7.688  15.386
   29   HG13  ILE   4          1HG1      ILE   4 -10.473  -6.724  16.297
   30   HG21  ILE   4          1HG2      ILE   4 -10.950  -8.660  13.150
   31   HG22  ILE   4          2HG2      ILE   4  -9.372  -8.248  12.479
   32   HG23  ILE   4          3HG2      ILE   4 -10.625  -7.012  12.608
   33   HD11  ILE   4          3HD1      ILE   4 -11.870  -5.895  13.766
   34   HD12  ILE   4          1HD1      ILE   4 -10.679  -4.931  14.640
   35   HD13  ILE   4          2HD1      ILE   4 -12.222  -5.326  15.398
   36    H    THR   5           HN       THR   5  -6.662  -8.099  14.930
   37    HA   THR   5           HA       THR   5  -6.068  -9.195  12.423
   38    HB   THR   5           HB       THR   5  -3.652  -8.897  13.179
   39    HG1  THR   5           1HG      THR   5  -3.402  -8.655  15.257
   40   HG21  THR   5          3HG2      THR   5  -3.791  -6.460  13.065
   41   HG22  THR   5          1HG2      THR   5  -5.521  -6.532  13.402
   42   HG23  THR   5          2HG2      THR   5  -4.887  -7.202  11.900
   43    H    GLU   6           HN       GLU   6  -5.326 -10.429  15.686
   44    HA   GLU   6           HA       GLU   6  -3.807 -12.621  14.774
   45    HB2  GLU   6           2HB      GLU   6  -4.070 -13.482  17.087
   46    HB3  GLU   6           1HB      GLU   6  -3.502 -11.823  17.007
   47    HG2  GLU   6           2HG      GLU   6  -5.772 -11.035  17.479
   48    HG3  GLU   6           1HG      GLU   6  -6.310 -12.709  17.610
   49    H    ARG   7           HN       ARG   7  -7.247 -12.305  15.557
   50    HA   ARG   7           HA       ARG   7  -7.735 -15.100  15.258
   51    HB2  ARG   7           2HB      ARG   7 -10.101 -14.568  15.371
   52    HB3  ARG   7           1HB      ARG   7  -9.224 -13.713  16.623
   53    HG2  ARG   7           2HG      ARG   7 -10.596 -12.053  15.928
   54    HG3  ARG   7           1HG      ARG   7  -9.250 -11.779  14.820
   55    HD2  ARG   7           2HD      ARG   7 -10.377 -12.973  13.066
   56    HD3  ARG   7           1HD      ARG   7 -11.667 -13.460  14.164
   57    HE   ARG   7           HE       ARG   7 -11.664 -10.714  14.239
   58   HH11  ARG   7          1HH1      ARG   7 -12.044 -13.176  11.786
   59   HH12  ARG   7          2HH1      ARG   7 -13.051 -12.202  10.762
   60   HH21  ARG   7          1HH2      ARG   7 -13.005  -9.411  12.891
   61   HH22  ARG   7          2HH2      ARG   7 -13.580 -10.051  11.377
   62    H    LEU   8           HN       LEU   8  -7.752 -12.337  13.104
   63    HA   LEU   8           HA       LEU   8  -8.763 -13.655  10.817
   64    HB2  LEU   8           2HB      LEU   8  -6.879 -11.333  11.164
   65    HB3  LEU   8           1HB      LEU   8  -7.322 -11.936   9.578
   66    HG   LEU   8           HG       LEU   8  -9.309 -10.923  11.613
   67   HD11  LEU   8          1HD1      LEU   8  -9.436  -8.917  10.219
   68   HD12  LEU   8          2HD1      LEU   8  -8.122  -9.529   9.216
   69   HD13  LEU   8          3HD1      LEU   8  -7.827  -9.124  10.907
   70   HD21  LEU   8          3HD2      LEU   8 -10.248 -12.499  10.016
   71   HD22  LEU   8          1HD2      LEU   8  -9.565 -11.576   8.678
   72   HD23  LEU   8          2HD2      LEU   8 -10.827 -10.866   9.687
   73    H    GLU   9           HN       GLU   9  -5.461 -13.259  12.069
   74    HA   GLU   9           HA       GLU   9  -4.104 -14.680  10.074
   75    HB2  GLU   9           2HB      GLU   9  -3.440 -14.416  13.013
   76    HB3  GLU   9           1HB      GLU   9  -2.332 -15.007  11.784
   77    HG2  GLU   9           2HG      GLU   9  -2.437 -12.840  10.654
   78    HG3  GLU   9           1HG      GLU   9  -3.533 -12.250  11.903
   79    H    ALA  10           HN       ALA  10  -5.795 -15.765  12.954
   80    HA   ALA  10           HA       ALA  10  -4.952 -18.435  12.975
   81    HB1  ALA  10           1HB      ALA  10  -6.934 -18.873  14.326
   82    HB2  ALA  10           2HB      ALA  10  -7.593 -17.299  13.876
   83    HB3  ALA  10           3HB      ALA  10  -6.121 -17.395  14.844
   84    H    MET  11           HN       MET  11  -7.412 -16.800  11.073
   85    HA   MET  11           HA       MET  11  -8.823 -19.042  10.165
   86    HB2  MET  11           2HB      MET  11  -8.323 -16.385   8.812
   87    HB3  MET  11           1HB      MET  11  -9.490 -17.576   8.268
   88    HG2  MET  11           2HG      MET  11 -10.696 -17.368  10.381
   89    HG3  MET  11           1HG      MET  11  -9.530 -16.164  10.920
   90    HE1  MET  11           3HE      MET  11 -12.394 -16.958   8.303
   91    HE2  MET  11           1HE      MET  11 -10.977 -16.616   7.312
   92    HE3  MET  11           2HE      MET  11 -12.339 -15.498   7.315
   93    H    LEU  12           HN       LEU  12  -5.811 -17.585   9.102
   94    HA   LEU  12           HA       LEU  12  -5.567 -19.215   6.757
   95    HB2  LEU  12           2HB      LEU  12  -3.533 -17.598   8.296
   96    HB3  LEU  12           1HB      LEU  12  -3.152 -18.482   6.832
   97    HG   LEU  12           HG       LEU  12  -3.440 -16.285   6.117
   98   HD11  LEU  12          1HD1      LEU  12  -4.657 -17.840   4.714
   99   HD12  LEU  12          2HD1      LEU  12  -5.477 -16.279   4.768
  100   HD13  LEU  12          3HD1      LEU  12  -6.099 -17.635   5.709
  101   HD21  LEU  12          3HD2      LEU  12  -5.287 -14.835   6.754
  102   HD22  LEU  12          1HD2      LEU  12  -4.392 -15.380   8.173
  103   HD23  LEU  12          2HD2      LEU  12  -5.948 -16.111   7.778
  104    H    ALA  13           HN       ALA  13  -4.722 -19.505  10.118
  105    HA   ALA  13           HA       ALA  13  -2.893 -21.675   9.834
  106    HB1  ALA  13           1HB      ALA  13  -4.446 -20.753  12.253
  107    HB2  ALA  13           2HB      ALA  13  -2.833 -20.215  11.780
  108    HB3  ALA  13           3HB      ALA  13  -3.097 -21.890  12.267
  109    H    GLN  14           HN       GLN  14  -6.365 -21.425  10.488
  110    HA   GLN  14           HA       GLN  14  -6.694 -24.249  10.780
  111    HB2  GLN  14           2HB      GLN  14  -8.530 -21.903  10.586
  112    HB3  GLN  14           1HB      GLN  14  -9.181 -23.520  10.362
  113    HG2  GLN  14           2HG      GLN  14  -9.486 -22.890  12.626
  114    HG3  GLN  14           1HG      GLN  14  -8.263 -24.151  12.571
  115   HE21  GLN  14          1HE2      GLN  14  -6.150 -23.649  13.135
  116   HE22  GLN  14          2HE2      GLN  14  -5.743 -22.172  13.953
  117    H    GLY  15           HN       GLY  15  -6.193 -22.278   8.096
  118    HA2  GLY  15           2HA      GLY  15  -5.741 -23.212   5.980
  119    HA3  GLY  15           1HA      GLY  15  -6.752 -24.586   6.394
  120    H    THR  16           HN       THR  16  -8.032 -21.433   6.976
  121    HA   THR  16           HA       THR  16  -9.928 -21.841   4.781
  122    HB   THR  16           HB       THR  16 -10.089 -19.711   6.926
  123    HG1  THR  16           1HG      THR  16 -10.840 -22.459   6.977
  124   HG21  THR  16          3HG2      THR  16 -12.210 -21.083   5.256
  125   HG22  THR  16          1HG2      THR  16 -11.592 -19.453   4.992
  126   HG23  THR  16          2HG2      THR  16 -12.492 -19.827   6.461
  127    H    ASP  17           HN       ASP  17  -7.461 -21.177   3.863
  128    HA   ASP  17           HA       ASP  17  -7.100 -18.353   3.604
  129    HB2  ASP  17           2HB      ASP  17  -5.182 -19.892   3.482
  130    HB3  ASP  17           1HB      ASP  17  -5.832 -20.586   2.000
  131    H    ASN  18           HN       ASN  18  -7.422 -17.068   1.862
  132    HA   ASN  18           HA       ASN  18  -9.026 -18.032  -0.373
  133    HB2  ASN  18           2HB      ASN  18 -10.016 -16.236   1.804
  134    HB3  ASN  18           1HB      ASN  18 -10.562 -15.969   0.159
  135   HD21  ASN  18          1HD2      ASN  18 -10.650 -18.102   2.904
  136   HD22  ASN  18          2HD2      ASN  18 -11.932 -19.107   2.331
  137    H    MET  19           HN       MET  19  -6.802 -15.979   1.001
  138    HA   MET  19           HA       MET  19  -5.487 -14.291   0.286
  139    HB2  MET  19           2HB      MET  19  -6.780 -14.991  -2.315
  140    HB3  MET  19           1HB      MET  19  -5.854 -13.501  -2.188
  141    HG2  MET  19           2HG      MET  19  -4.830 -16.266  -1.582
  142    HG3  MET  19           1HG      MET  19  -4.504 -15.340  -3.047
  143    HE1  MET  19           3HE      MET  19  -2.352 -12.370  -1.694
  144    HE2  MET  19           1HE      MET  19  -4.092 -12.415  -1.981
  145    HE3  MET  19           2HE      MET  19  -2.990 -13.169  -3.134
  146    H    LEU  20           HN       LEU  20  -8.788 -13.915  -0.978
  147    HA   LEU  20           HA       LEU  20  -8.874 -11.101  -0.459
  148    HB2  LEU  20           2HB      LEU  20 -10.982 -13.150  -1.110
  149    HB3  LEU  20           1HB      LEU  20 -11.397 -11.489  -0.744
  150    HG   LEU  20           HG       LEU  20 -11.382 -11.739  -3.116
  151   HD11  LEU  20          1HD1      LEU  20 -10.494  -9.646  -2.277
  152   HD12  LEU  20          2HD1      LEU  20  -9.699 -10.108  -3.781
  153   HD13  LEU  20          3HD1      LEU  20  -8.870 -10.333  -2.239
  154   HD21  LEU  20          3HD2      LEU  20  -9.449 -12.499  -4.379
  155   HD22  LEU  20          1HD2      LEU  20  -9.999 -13.751  -3.265
  156   HD23  LEU  20          2HD2      LEU  20  -8.568 -12.796  -2.880
  157    H    LEU  21           HN       LEU  21  -7.924 -11.721   1.761
  158    HA   LEU  21           HA       LEU  21  -9.952 -11.302   3.747
  159    HB2  LEU  21           2HB      LEU  21  -9.939 -13.809   3.350
  160    HB3  LEU  21           1HB      LEU  21  -8.294 -13.826   3.946
  161    HG   LEU  21           HG       LEU  21 -10.124 -14.534   5.565
  162   HD11  LEU  21          1HD1      LEU  21  -9.087 -13.416   7.481
  163   HD12  LEU  21          2HD1      LEU  21  -8.276 -12.297   6.383
  164   HD13  LEU  21          3HD1      LEU  21  -7.888 -14.017   6.336
  165   HD21  LEU  21          3HD2      LEU  21 -11.732 -12.783   5.012
  166   HD22  LEU  21          1HD2      LEU  21 -10.627 -11.562   5.643
  167   HD23  LEU  21          2HD2      LEU  21 -11.323 -12.768   6.726
  168    H    ARG  22           HN       ARG  22  -6.590 -12.278   3.135
  169    HA   ARG  22           HA       ARG  22  -5.597 -11.245   5.582
  170    HB2  ARG  22           2HB      ARG  22  -3.336 -11.523   4.417
  171    HB3  ARG  22           1HB      ARG  22  -4.307 -12.965   4.675
  172    HG2  ARG  22           2HG      ARG  22  -4.986 -12.993   2.380
  173    HG3  ARG  22           1HG      ARG  22  -4.216 -11.432   2.087
  174    HD2  ARG  22           2HD      ARG  22  -2.926 -13.444   1.294
  175    HD3  ARG  22           1HD      ARG  22  -2.047 -12.346   2.354
  176    HE   ARG  22           HE       ARG  22  -2.334 -13.948   4.136
  177   HH11  ARG  22          1HH1      ARG  22  -3.116 -15.114   0.922
  178   HH12  ARG  22          2HH1      ARG  22  -2.873 -16.779   1.338
  179   HH21  ARG  22          1HH2      ARG  22  -1.941 -16.139   4.657
  180   HH22  ARG  22          2HH2      ARG  22  -2.182 -17.365   3.438
  181    H    PHE  23           HN       PHE  23  -6.549  -9.618   2.790
  182    HA   PHE  23           HA       PHE  23  -4.605  -7.543   2.786
  183    HB2  PHE  23           2HB      PHE  23  -6.080  -6.344   1.303
  184    HB3  PHE  23           1HB      PHE  23  -6.070  -8.037   0.837
  185    HD1  PHE  23           2HD      PHE  23  -8.036  -9.480   1.549
  186    HD2  PHE  23           1HD      PHE  23  -8.066  -5.232   1.786
  187    HE1  PHE  23           2HE      PHE  23 -10.494  -9.504   1.635
  188    HE2  PHE  23           1HE      PHE  23 -10.522  -5.251   1.872
  189    HZ   PHE  23           HZ       PHE  23 -11.742  -7.391   1.800
  190    H    THR  24           HN       THR  24  -7.558  -8.107   4.544
  191    HA   THR  24           HA       THR  24  -7.974  -5.486   5.505
  192    HB   THR  24           HB       THR  24  -8.794  -8.087   6.811
  193    HG1  THR  24           1HG      THR  24 -10.357  -8.193   5.356
  194   HG21  THR  24          3HG2      THR  24 -10.614  -6.771   7.774
  195   HG22  THR  24          1HG2      THR  24  -9.985  -5.318   6.996
  196   HG23  THR  24          2HG2      THR  24  -9.048  -6.118   8.257
  197    H    LEU  25           HN       LEU  25  -5.994  -8.156   6.613
  198    HA   LEU  25           HA       LEU  25  -5.490  -7.365   9.235
  199    HB2  LEU  25           2HB      LEU  25  -3.806  -8.890   7.258
  200    HB3  LEU  25           1HB      LEU  25  -3.263  -8.590   8.895
  201    HG   LEU  25           HG       LEU  25  -5.299  -9.806   9.716
  202   HD11  LEU  25          1HD1      LEU  25  -5.588 -10.550   6.811
  203   HD12  LEU  25          2HD1      LEU  25  -6.707  -9.564   7.752
  204   HD13  LEU  25          3HD1      LEU  25  -6.480 -11.265   8.157
  205   HD21  LEU  25          3HD2      LEU  25  -3.119 -10.878   9.606
  206   HD22  LEU  25          1HD2      LEU  25  -3.416 -11.341   7.929
  207   HD23  LEU  25          2HD2      LEU  25  -4.401 -12.025   9.222
  208    H    GLY  26           HN       GLY  26  -3.786  -6.512   6.252
  209    HA2  GLY  26           2HA      GLY  26  -1.727  -5.005   7.453
  210    HA3  GLY  26           1HA      GLY  26  -2.246  -4.881   5.779
  211    H    LYS  27           HN       LYS  27  -4.976  -4.165   6.452
  212    HA   LYS  27           HA       LYS  27  -4.726  -1.378   6.499
  213    HB2  LYS  27           2HB      LYS  27  -7.100  -3.149   7.061
  214    HB3  LYS  27           1HB      LYS  27  -7.197  -1.403   6.929
  215    HG2  LYS  27           2HG      LYS  27  -6.403  -1.534   4.616
  216    HG3  LYS  27           1HG      LYS  27  -6.331  -3.295   4.754
  217    HD2  LYS  27           2HD      LYS  27  -8.706  -3.401   5.146
  218    HD3  LYS  27           1HD      LYS  27  -8.822  -1.645   5.161
  219    HE2  LYS  27           2HE      LYS  27  -8.122  -1.599   2.811
  220    HE3  LYS  27           1HE      LYS  27  -8.039  -3.361   2.810
  221    HZ1  LYS  27           3HZ      LYS  27 -10.416  -3.406   3.371
  222    HZ2  LYS  27           1HZ      LYS  27 -10.128  -2.635   1.884
  223    HZ3  LYS  27           2HZ      LYS  27 -10.471  -1.711   3.265
  224    H    THR  28           HN       THR  28  -5.648  -3.663   9.064
  225    HA   THR  28           HA       THR  28  -6.325  -1.798  11.013
  226    HB   THR  28           HB       THR  28  -5.098  -4.525  11.466
  227    HG1  THR  28           1HG      THR  28  -7.765  -3.657  10.990
  228   HG21  THR  28          3HG2      THR  28  -6.315  -4.471  13.592
  229   HG22  THR  28          1HG2      THR  28  -6.879  -2.841  13.234
  230   HG23  THR  28          2HG2      THR  28  -5.160  -3.138  13.493
  231    H    TYR  29           HN       TYR  29  -3.168  -3.235  10.271
  232    HA   TYR  29           HA       TYR  29  -1.759  -2.056  12.407
  233    HB2  TYR  29           2HB      TYR  29  -0.735  -2.819   9.662
  234    HB3  TYR  29           1HB      TYR  29   0.269  -2.467  11.063
  235    HD1  TYR  29           2HD      TYR  29  -0.538  -3.933  13.235
  236    HD2  TYR  29           1HD      TYR  29  -0.957  -5.045   9.151
  237    HE1  TYR  29           2HE      TYR  29  -0.621  -6.303  13.894
  238    HE2  TYR  29           1HE      TYR  29  -1.053  -7.414   9.800
  239    HH   TYR  29           HH       TYR  29  -1.435  -8.421  13.038
  240    H    ALA  30           HN       ALA  30  -2.469  -0.969   9.130
  241    HA   ALA  30           HA       ALA  30  -0.838   1.358   9.228
  242    HB1  ALA  30           1HB      ALA  30  -1.993   2.024   7.183
  243    HB2  ALA  30           2HB      ALA  30  -3.192   0.756   7.436
  244    HB3  ALA  30           3HB      ALA  30  -1.512   0.329   7.113
  245    H    GLU  31           HN       GLU  31  -4.241   0.731   9.919
  246    HA   GLU  31           HA       GLU  31  -4.935   3.461  10.346
  247    HB2  GLU  31           2HB      GLU  31  -6.289   0.931  11.299
  248    HB3  GLU  31           1HB      GLU  31  -6.986   2.544  11.389
  249    HG2  GLU  31           2HG      GLU  31  -6.878   2.716   8.946
  250    HG3  GLU  31           1HG      GLU  31  -6.205   1.091   8.873
  251    H    HIS  32           HN       HIS  32  -3.401   1.067  12.298
  252    HA   HIS  32           HA       HIS  32  -3.741   2.601  14.751
  253    HB2  HIS  32           2HB      HIS  32  -2.443  -0.017  14.062
  254    HB3  HIS  32           1HB      HIS  32  -2.013   0.799  15.558
  255    HD1  HIS  32           1HD      HIS  32  -3.183  -0.369  17.384
  256    HD2  HIS  32           2HD      HIS  32  -5.616   0.103  14.037
  257    HE1  HIS  32           1HE      HIS  32  -5.425  -1.309  18.030
  258    HE2  HIS  32           2HE      HIS  32  -6.823  -1.170  15.942
  259    H    GLU  33           HN       GLU  33  -2.094   3.223  12.134
  260    HA   GLU  33           HA       GLU  33  -0.269   4.396  11.557
  261    HB2  GLU  33           2HB      GLU  33  -0.298   5.032  14.500
  262    HB3  GLU  33           1HB      GLU  33   0.882   5.709  13.393
  263    HG2  GLU  33           2HG      GLU  33  -0.955   6.665  12.059
  264    HG3  GLU  33           1HG      GLU  33  -2.097   6.058  13.257
  265    H    GLN  34           HN       GLN  34  -0.089   1.542  12.564
  266    HA   GLN  34           HA       GLN  34   2.817   1.509  13.032
  267    HB2  GLN  34           2HB      GLN  34   0.739  -0.643  13.493
  268    HB3  GLN  34           1HB      GLN  34   2.469  -0.857  13.725
  269    HG2  GLN  34           2HG      GLN  34   2.481   0.765  15.504
  270    HG3  GLN  34           1HG      GLN  34   0.783   1.141  15.215
  271   HE21  GLN  34          1HE2      GLN  34   2.186   0.134  17.602
  272   HE22  GLN  34          2HE2      GLN  34   1.363  -1.333  18.039
  273    H    PHE  35           HN       PHE  35   2.933   2.080  10.740
  274    HA   PHE  35           HA       PHE  35   1.973   0.350   8.715
  275    HB2  PHE  35           2HB      PHE  35   4.190   2.407   8.602
  276    HB3  PHE  35           1HB      PHE  35   3.409   1.664   7.209
  277    HD1  PHE  35           1HD      PHE  35   3.022   4.050   9.960
  278    HD2  PHE  35           2HD      PHE  35   1.199   2.318   6.525
  279    HE1  PHE  35           1HE      PHE  35   1.312   5.815   9.984
  280    HE2  PHE  35           2HE      PHE  35  -0.519   4.080   6.549
  281    HZ   PHE  35           HZ       PHE  35  -0.464   5.830   8.278
  282    H    ASP  36           HN       ASP  36   4.948   0.575  10.512
  283    HA   ASP  36           HA       ASP  36   6.664  -1.034   9.046
  284    HB2  ASP  36           2HB      ASP  36   7.170   0.273  11.144
  285    HB3  ASP  36           1HB      ASP  36   6.438  -1.037  12.057
  286    H    ALA  37           HN       ALA  37   4.123  -1.904  11.267
  287    HA   ALA  37           HA       ALA  37   4.717  -4.695  11.370
  288    HB1  ALA  37           1HB      ALA  37   2.175  -3.247  12.109
  289    HB2  ALA  37           2HB      ALA  37   3.524  -3.586  13.194
  290    HB3  ALA  37           3HB      ALA  37   2.574  -4.912  12.523
  291    H    ALA  38           HN       ALA  38   2.837  -2.661   9.285
  292    HA   ALA  38           HA       ALA  38   1.197  -4.701   8.184
  293    HB1  ALA  38           1HB      ALA  38   0.551  -2.359   8.062
  294    HB2  ALA  38           2HB      ALA  38   0.668  -3.057   6.446
  295    HB3  ALA  38           3HB      ALA  38   1.953  -2.010   7.049
  296    H    LEU  39           HN       LEU  39   4.366  -3.396   7.377
  297    HA   LEU  39           HA       LEU  39   4.609  -4.109   4.730
  298    HB2  LEU  39           2HB      LEU  39   6.546  -3.704   6.923
  299    HB3  LEU  39           1HB      LEU  39   7.140  -4.567   5.520
  300    HG   LEU  39           HG       LEU  39   6.343  -2.611   4.119
  301   HD11  LEU  39          1HD1      LEU  39   6.121  -1.316   6.828
  302   HD12  LEU  39          2HD1      LEU  39   4.791  -1.643   5.719
  303   HD13  LEU  39          3HD1      LEU  39   6.042  -0.483   5.277
  304   HD21  LEU  39          3HD2      LEU  39   8.466  -2.085   6.194
  305   HD22  LEU  39          1HD2      LEU  39   8.294  -1.250   4.650
  306   HD23  LEU  39          2HD2      LEU  39   8.692  -2.968   4.685
  307    HA   PRO  40           HA       PRO  40   6.540  -8.422   5.858
  308    HB2  PRO  40           2HB      PRO  40   5.651  -9.518   8.227
  309    HB3  PRO  40           1HB      PRO  40   7.204  -8.709   8.016
  310    HG2  PRO  40           2HG      PRO  40   4.654  -7.650   9.149
  311    HG3  PRO  40           1HG      PRO  40   6.322  -7.377   9.685
  312    HD2  PRO  40           2HD      PRO  40   4.967  -5.537   8.272
  313    HD3  PRO  40           1HD      PRO  40   6.713  -5.773   8.065
  314    H    HIS  41           HN       HIS  41   3.325  -7.762   7.196
  315    HA   HIS  41           HA       HIS  41   2.258 -10.296   6.428
  316    HB2  HIS  41           2HB      HIS  41   0.875  -7.743   7.271
  317    HB3  HIS  41           1HB      HIS  41   0.051  -9.275   6.998
  318    HD1  HIS  41           1HD      HIS  41   0.401 -11.146   8.769
  319    HD2  HIS  41           2HD      HIS  41   2.338  -7.571   9.644
  320    HE1  HIS  41           1HE      HIS  41   1.068 -11.307  11.190
  321    HE2  HIS  41           2HE      HIS  41   2.344  -9.183  11.666
  322    H    LEU  42           HN       LEU  42   2.143  -7.034   5.053
  323    HA   LEU  42           HA       LEU  42   0.391  -7.677   2.922
  324    HB2  LEU  42           2HB      LEU  42   2.438  -5.474   3.191
  325    HB3  LEU  42           1HB      LEU  42   1.284  -5.587   1.876
  326    HG   LEU  42           HG       LEU  42   0.596  -5.230   4.794
  327   HD11  LEU  42          1HD1      LEU  42  -0.127  -2.999   4.110
  328   HD12  LEU  42          2HD1      LEU  42   0.444  -3.315   2.470
  329   HD13  LEU  42          3HD1      LEU  42   1.594  -3.241   3.806
  330   HD21  LEU  42          3HD2      LEU  42  -1.186  -5.263   2.359
  331   HD22  LEU  42          1HD2      LEU  42  -1.692  -4.919   4.014
  332   HD23  LEU  42          2HD2      LEU  42  -1.097  -6.524   3.589
  333    H    ARG  43           HN       ARG  43   3.916  -7.633   3.219
  334    HA   ARG  43           HA       ARG  43   4.433  -8.181   0.488
  335    HB2  ARG  43           2HB      ARG  43   6.019  -7.321   2.392
  336    HB3  ARG  43           1HB      ARG  43   6.322  -9.034   2.647
  337    HG2  ARG  43           2HG      ARG  43   7.105  -9.285   0.388
  338    HG3  ARG  43           1HG      ARG  43   6.664  -7.619   0.014
  339    HD2  ARG  43           2HD      ARG  43   8.267  -6.985   1.922
  340    HD3  ARG  43           1HD      ARG  43   8.879  -8.632   1.766
  341    HE   ARG  43           HE       ARG  43   8.874  -7.592  -0.783
  342   HH11  ARG  43          1HH1      ARG  43  10.452  -6.884   2.268
  343   HH12  ARG  43          2HH1      ARG  43  11.786  -6.057   1.514
  344   HH21  ARG  43          1HH2      ARG  43  10.618  -6.506  -1.751
  345   HH22  ARG  43          2HH2      ARG  43  11.888  -5.853  -0.755
  346    H    ALA  44           HN       ALA  44   3.783 -10.197   3.274
  347    HA   ALA  44           HA       ALA  44   4.469 -12.691   2.188
  348    HB1  ALA  44           1HB      ALA  44   2.893 -13.628   3.830
  349    HB2  ALA  44           2HB      ALA  44   2.291 -12.002   4.160
  350    HB3  ALA  44           3HB      ALA  44   3.960 -12.420   4.545
  351    H    ALA  45           HN       ALA  45   1.492 -10.785   1.986
  352    HA   ALA  45           HA       ALA  45  -0.033 -12.675   0.539
  353    HB1  ALA  45           1HB      ALA  45  -1.501 -10.793  -0.001
  354    HB2  ALA  45           2HB      ALA  45  -0.272  -9.666   0.582
  355    HB3  ALA  45           3HB      ALA  45  -1.048 -10.784   1.704
  356    H    LEU  46           HN       LEU  46   2.170 -10.119  -0.422
  357    HA   LEU  46           HA       LEU  46   1.694 -10.205  -3.198
  358    HB2  LEU  46           2HB      LEU  46   4.172  -9.418  -1.674
  359    HB3  LEU  46           1HB      LEU  46   3.928  -9.134  -3.386
  360    HG   LEU  46           HG       LEU  46   2.229  -7.965  -1.183
  361   HD11  LEU  46          1HD1      LEU  46   3.321  -5.858  -1.715
  362   HD12  LEU  46          2HD1      LEU  46   4.348  -6.673  -2.894
  363   HD13  LEU  46          3HD1      LEU  46   4.498  -7.055  -1.179
  364   HD21  LEU  46          3HD2      LEU  46   2.273  -7.441  -4.153
  365   HD22  LEU  46          1HD2      LEU  46   1.307  -6.564  -2.964
  366   HD23  LEU  46          2HD2      LEU  46   0.999  -8.275  -3.261
  367    H    ASP  47           HN       ASP  47   3.513 -12.236  -1.083
  368    HA   ASP  47           HA       ASP  47   5.182 -13.436  -3.057
  369    HB2  ASP  47           2HB      ASP  47   5.564 -13.471  -0.564
  370    HB3  ASP  47           1HB      ASP  47   4.273 -14.658  -0.448
  371    H    PHE  48           HN       PHE  48   2.011 -14.123  -1.740
  372    HA   PHE  48           HA       PHE  48   1.740 -16.626  -3.140
  373    HB2  PHE  48           2HB      PHE  48  -0.225 -14.937  -1.591
  374    HB3  PHE  48           1HB      PHE  48  -0.671 -16.446  -2.380
  375    HD1  PHE  48           2HD      PHE  48   0.337 -18.579  -1.612
  376    HD2  PHE  48           1HD      PHE  48   0.923 -14.919   0.477
  377    HE1  PHE  48           2HE      PHE  48   1.049 -19.834   0.380
  378    HE2  PHE  48           1HE      PHE  48   1.641 -16.168   2.469
  379    HZ   PHE  48           HZ       PHE  48   1.706 -18.629   2.424
  380    H    ASP  49           HN       ASP  49   0.468 -13.337  -3.548
  381    HA   ASP  49           HA       ASP  49   0.090 -13.918  -6.376
  382    HB2  ASP  49           2HB      ASP  49  -2.118 -14.378  -5.341
  383    HB3  ASP  49           1HB      ASP  49  -2.155 -12.722  -4.740
  384    HA   PRO  50           HA       PRO  50   2.127  -9.877  -5.765
  385    HB2  PRO  50           2HB      PRO  50   3.549 -10.023  -8.074
  386    HB3  PRO  50           1HB      PRO  50   4.075 -10.792  -6.573
  387    HG2  PRO  50           2HG      PRO  50   2.657 -11.998  -8.921
  388    HG3  PRO  50           1HG      PRO  50   4.035 -12.634  -8.003
  389    HD2  PRO  50           2HD      PRO  50   1.518 -13.500  -7.586
  390    HD3  PRO  50           1HD      PRO  50   2.698 -13.369  -6.266
  391    H    THR  51           HN       THR  51  -0.172 -11.078  -7.857
  392    HA   THR  51           HA       THR  51  -0.240  -8.793  -9.659
  393    HB   THR  51           HB       THR  51  -2.375 -10.875  -9.686
  394    HG1  THR  51           1HG      THR  51  -0.819 -12.353  -9.588
  395   HG21  THR  51          3HG2      THR  51  -0.702  -9.565 -11.839
  396   HG22  THR  51          1HG2      THR  51  -2.332  -9.089 -11.361
  397   HG23  THR  51          2HG2      THR  51  -2.057 -10.661 -12.111
  398    H    TYR  52           HN       TYR  52  -1.140  -9.159  -6.607
  399    HA   TYR  52           HA       TYR  52  -3.883  -8.373  -6.620
  400    HB2  TYR  52           2HB      TYR  52  -2.476  -9.538  -4.753
  401    HB3  TYR  52           1HB      TYR  52  -2.015  -7.899  -4.313
  402    HD1  TYR  52           1HD      TYR  52  -4.878 -10.214  -4.643
  403    HD2  TYR  52           2HD      TYR  52  -3.508  -6.491  -3.107
  404    HE1  TYR  52           1HE      TYR  52  -6.942 -10.006  -3.321
  405    HE2  TYR  52           2HE      TYR  52  -5.565  -6.274  -1.782
  406    HH   TYR  52           HH       TYR  52  -7.931  -7.149  -1.898
  407    H    SER  53           HN       SER  53  -4.190  -6.537  -7.796
  408    HA   SER  53           HA       SER  53  -2.469  -4.357  -7.972
  409    HB2  SER  53           2HB      SER  53  -4.473  -3.171  -8.953
  410    HB3  SER  53           1HB      SER  53  -4.067  -4.710  -9.707
  411    HG   SER  53           HG       SER  53  -6.392  -4.041  -8.817
  412    H    VAL  54           HN       VAL  54  -5.124  -4.962  -5.739
  413    HA   VAL  54           HA       VAL  54  -5.367  -2.334  -4.753
  414    HB   VAL  54           HB       VAL  54  -5.904  -4.944  -3.324
  415   HG11  VAL  54          1HG1      VAL  54  -7.336  -3.648  -1.833
  416   HG12  VAL  54          2HG1      VAL  54  -6.847  -2.160  -2.642
  417   HG13  VAL  54          3HG1      VAL  54  -5.662  -3.102  -1.738
  418   HG21  VAL  54          3HG2      VAL  54  -8.250  -4.505  -3.925
  419   HG22  VAL  54          1HG2      VAL  54  -7.219  -4.725  -5.341
  420   HG23  VAL  54          2HG2      VAL  54  -7.728  -3.107  -4.864
  421    H    ALA  55           HN       ALA  55  -3.182  -4.955  -3.963
  422    HA   ALA  55           HA       ALA  55  -2.169  -3.806  -1.560
  423    HB1  ALA  55           1HB      ALA  55  -0.477  -5.538  -1.654
  424    HB2  ALA  55           2HB      ALA  55  -0.905  -5.899  -3.325
  425    HB3  ALA  55           3HB      ALA  55  -2.059  -6.220  -2.031
  426    H    TRP  56           HN       TRP  56  -1.304  -3.589  -4.951
  427    HA   TRP  56           HA       TRP  56   1.266  -2.519  -4.729
  428    HB2  TRP  56           2HB      TRP  56  -0.811  -1.765  -6.800
  429    HB3  TRP  56           1HB      TRP  56   0.929  -1.575  -6.953
  430    HD1  TRP  56           1HD      TRP  56   1.227  -4.741  -5.659
  431    HE1  TRP  56           1HE      TRP  56   0.986  -6.640  -7.381
  432    HE3  TRP  56           3HE      TRP  56  -1.134  -2.160  -9.384
  433    HZ2  TRP  56           2HZ      TRP  56  -0.061  -6.991  -9.967
  434    HZ3  TRP  56           3HZ      TRP  56  -1.724  -3.355 -11.449
  435    HH2  TRP  56           2HH      TRP  56  -1.199  -5.719 -11.734
  436    H    LYS  57           HN       LYS  57  -1.881  -0.916  -4.808
  437    HA   LYS  57           HA       LYS  57  -0.907   1.720  -4.543
  438    HB2  LYS  57           2HB      LYS  57  -3.082   1.410  -5.434
  439    HB3  LYS  57           1HB      LYS  57  -3.595   0.465  -4.054
  440    HG2  LYS  57           2HG      LYS  57  -3.593   2.420  -2.650
  441    HG3  LYS  57           1HG      LYS  57  -2.921   3.396  -3.959
  442    HD2  LYS  57           2HD      LYS  57  -5.347   3.729  -3.711
  443    HD3  LYS  57           1HD      LYS  57  -4.931   3.044  -5.281
  444    HE2  LYS  57           2HE      LYS  57  -5.505   0.799  -4.410
  445    HE3  LYS  57           1HE      LYS  57  -6.010   1.543  -2.894
  446    HZ1  LYS  57           3HZ      LYS  57  -7.865   1.088  -4.439
  447    HZ2  LYS  57           1HZ      LYS  57  -7.191   2.185  -5.547
  448    HZ3  LYS  57           2HZ      LYS  57  -7.734   2.728  -4.034
  449    H    TRP  58           HN       TRP  58  -1.867  -0.720  -2.181
  450    HA   TRP  58           HA       TRP  58  -1.810   0.998   0.073
  451    HB2  TRP  58           2HB      TRP  58  -1.901  -1.941  -0.352
  452    HB3  TRP  58           1HB      TRP  58  -1.351  -1.376   1.222
  453    HD1  TRP  58           1HD      TRP  58  -4.459  -2.071  -0.702
  454    HE1  TRP  58           1HE      TRP  58  -6.528  -1.297   0.638
  455    HE3  TRP  58           3HE      TRP  58  -2.094   0.689   2.893
  456    HZ2  TRP  58           2HZ      TRP  58  -7.065   0.286   2.916
  457    HZ3  TRP  58           3HZ      TRP  58  -3.454   1.803   4.615
  458    HH2  TRP  58           2HH      TRP  58  -5.889   1.605   4.623
  459    H    LEU  59           HN       LEU  59   0.667  -0.879  -1.565
  460    HA   LEU  59           HA       LEU  59   2.619  -0.953   0.414
  461    HB2  LEU  59           2HB      LEU  59   2.904  -0.732  -2.577
  462    HB3  LEU  59           1HB      LEU  59   4.250  -1.022  -1.496
  463    HG   LEU  59           HG       LEU  59   1.868  -2.844  -1.844
  464   HD11  LEU  59          1HD1      LEU  59   3.310  -2.803  -3.808
  465   HD12  LEU  59          2HD1      LEU  59   3.456  -4.335  -2.947
  466   HD13  LEU  59          3HD1      LEU  59   4.717  -3.113  -2.791
  467   HD21  LEU  59          3HD2      LEU  59   4.411  -3.188  -0.258
  468   HD22  LEU  59          1HD2      LEU  59   3.169  -4.418  -0.495
  469   HD23  LEU  59          2HD2      LEU  59   2.796  -2.947   0.407
  470    H    GLY  60           HN       GLY  60   2.202   1.490  -2.141
  471    HA2  GLY  60           2HA      GLY  60   4.317   3.153  -1.344
  472    HA3  GLY  60           1HA      GLY  60   2.925   3.667  -2.287
  473    H    LYS  61           HN       LYS  61   0.898   3.201  -0.449
  474    HA   LYS  61           HA       LYS  61   0.902   5.526   1.102
  475    HB2  LYS  61           2HB      LYS  61  -0.732   3.004   1.412
  476    HB3  LYS  61           1HB      LYS  61  -1.073   4.518   2.236
  477    HG2  LYS  61           2HG      LYS  61  -1.503   5.614   0.127
  478    HG3  LYS  61           1HG      LYS  61  -1.052   4.153  -0.755
  479    HD2  LYS  61           2HD      LYS  61  -3.492   4.424  -0.572
  480    HD3  LYS  61           1HD      LYS  61  -2.920   2.953   0.216
  481    HE2  LYS  61           2HE      LYS  61  -4.565   4.036   1.618
  482    HE3  LYS  61           1HE      LYS  61  -2.984   4.119   2.388
  483    HZ1  LYS  61           3HZ      LYS  61  -4.315   6.311   0.884
  484    HZ2  LYS  61           1HZ      LYS  61  -2.765   6.403   1.576
  485    HZ3  LYS  61           2HZ      LYS  61  -4.128   6.221   2.568
  486    H    THR  62           HN       THR  62   1.563   2.172   1.981
  487    HA   THR  62           HA       THR  62   1.696   2.564   4.761
  488    HB   THR  62           HB       THR  62   3.060   0.399   3.148
  489    HG1  THR  62           1HG      THR  62   0.856   0.409   2.650
  490   HG21  THR  62          3HG2      THR  62   3.775   0.501   5.488
  491   HG22  THR  62          1HG2      THR  62   2.799  -0.936   5.184
  492   HG23  THR  62          2HG2      THR  62   2.089   0.455   6.008
  493    H    LEU  63           HN       LEU  63   4.309   2.328   2.323
  494    HA   LEU  63           HA       LEU  63   6.435   2.675   4.107
  495    HB2  LEU  63           2HB      LEU  63   6.075   3.075   1.168
  496    HB3  LEU  63           1HB      LEU  63   7.558   3.610   1.931
  497    HG   LEU  63           HG       LEU  63   7.675   1.360   0.875
  498   HD11  LEU  63          1HD1      LEU  63   8.874   0.299   2.735
  499   HD12  LEU  63          2HD1      LEU  63   8.149   1.456   3.849
  500   HD13  LEU  63          3HD1      LEU  63   9.263   2.016   2.602
  501   HD21  LEU  63          3HD2      LEU  63   5.866   0.545   3.136
  502   HD22  LEU  63          1HD2      LEU  63   6.701  -0.552   2.038
  503   HD23  LEU  63          2HD2      LEU  63   5.455   0.532   1.422
  504    H    GLN  64           HN       GLN  64   4.636   5.058   2.180
  505    HA   GLN  64           HA       GLN  64   6.130   7.315   2.948
  506    HB2  GLN  64           2HB      GLN  64   4.581   7.303   1.033
  507    HB3  GLN  64           1HB      GLN  64   3.220   7.155   2.133
  508    HG2  GLN  64           2HG      GLN  64   3.378   9.421   1.401
  509    HG3  GLN  64           1HG      GLN  64   3.819   9.349   3.104
  510   HE21  GLN  64          1HE2      GLN  64   4.430  11.355   1.085
  511   HE22  GLN  64          2HE2      GLN  64   6.152  11.472   1.034
  512    H    GLY  65           HN       GLY  65   3.276   5.788   4.345
  513    HA2  GLY  65           2HA      GLY  65   2.761   7.702   6.346
  514    HA3  GLY  65           1HA      GLY  65   2.268   6.016   6.391
  515    H    GLN  66           HN       GLN  66   4.777   4.784   6.365
  516    HA   GLN  66           HA       GLN  66   5.466   4.937   9.111
  517    HB2  GLN  66           2HB      GLN  66   5.704   2.892   7.698
  518    HB3  GLN  66           1HB      GLN  66   7.050   3.664   6.870
  519    HG2  GLN  66           2HG      GLN  66   7.879   2.130   8.531
  520    HG3  GLN  66           1HG      GLN  66   8.274   3.785   8.991
  521   HE21  GLN  66          1HE2      GLN  66   8.511   3.234  11.151
  522   HE22  GLN  66          2HE2      GLN  66   7.162   2.856  12.171
  523    H    GLY  67           HN       GLY  67   6.935   6.228   6.178
  524    HA2  GLY  67           2HA      GLY  67   7.913   8.505   6.613
  525    HA3  GLY  67           1HA      GLY  67   8.818   7.723   7.898
  526    H    ASP  68           HN       ASP  68   8.365   5.866   5.057
  527    HA   ASP  68           HA       ASP  68  11.143   6.432   4.259
  528    HB2  ASP  68           2HB      ASP  68  10.567   4.072   4.971
  529    HB3  ASP  68           1HB      ASP  68   9.516   3.976   3.563
  530    H    ARG  69           HN       ARG  69  10.617   8.222   2.998
  531    HA   ARG  69           HA       ARG  69   8.555   8.271   1.078
  532    HB2  ARG  69           2HB      ARG  69   9.639  10.295   2.046
  533    HB3  ARG  69           1HB      ARG  69  11.083   9.932   1.109
  534    HG2  ARG  69           2HG      ARG  69   9.828  10.194  -0.957
  535    HG3  ARG  69           1HG      ARG  69   8.360  10.510  -0.034
  536    HD2  ARG  69           2HD      ARG  69   9.245  12.601  -0.774
  537    HD3  ARG  69           1HD      ARG  69   9.486  12.482   0.968
  538    HE   ARG  69           HE       ARG  69  11.823  12.009   0.534
  539   HH11  ARG  69          1HH1      ARG  69   9.959  13.253  -2.155
  540   HH12  ARG  69          2HH1      ARG  69  11.340  13.907  -2.990
  541   HH21  ARG  69          1HH2      ARG  69  13.648  12.839  -0.565
  542   HH22  ARG  69          2HH2      ARG  69  13.431  13.649  -2.087
  543    H    ALA  70           HN       ALA  70  11.913   7.286   0.926
  544    HA   ALA  70           HA       ALA  70  12.122   7.166  -1.901
  545    HB1  ALA  70           1HB      ALA  70  13.704   5.681   0.192
  546    HB2  ALA  70           2HB      ALA  70  14.088   7.274  -0.456
  547    HB3  ALA  70           3HB      ALA  70  14.144   5.859  -1.507
  548    H    GLY  71           HN       GLY  71  11.465   4.719   0.585
  549    HA2  GLY  71           2HA      GLY  71  11.068   2.549  -1.191
  550    HA3  GLY  71           1HA      GLY  71  10.458   2.659   0.454
  551    H    ALA  72           HN       ALA  72   8.886   4.986   0.117
  552    HA   ALA  72           HA       ALA  72   6.470   3.966  -0.843
  553    HB1  ALA  72           1HB      ALA  72   7.268   6.859  -0.528
  554    HB2  ALA  72           2HB      ALA  72   6.607   5.828   0.741
  555    HB3  ALA  72           3HB      ALA  72   5.618   6.246  -0.658
  556    H    ARG  73           HN       ARG  73   8.715   6.285  -2.357
  557    HA   ARG  73           HA       ARG  73   7.327   6.566  -4.779
  558    HB2  ARG  73           2HB      ARG  73   9.115   8.098  -4.238
  559    HB3  ARG  73           1HB      ARG  73  10.289   6.787  -4.203
  560    HG2  ARG  73           2HG      ARG  73   9.816   6.392  -6.618
  561    HG3  ARG  73           1HG      ARG  73   8.811   7.838  -6.603
  562    HD2  ARG  73           2HD      ARG  73  10.685   9.226  -6.105
  563    HD3  ARG  73           1HD      ARG  73  11.719   7.824  -5.816
  564    HE   ARG  73           HE       ARG  73  10.899   7.453  -8.368
  565   HH11  ARG  73          1HH1      ARG  73  12.454  10.132  -6.707
  566   HH12  ARG  73          2HH1      ARG  73  13.192  10.760  -8.151
  567   HH21  ARG  73          1HH2      ARG  73  11.876   8.265 -10.244
  568   HH22  ARG  73          2HH2      ARG  73  12.857   9.692 -10.164
  569    H    GLN  74           HN       GLN  74   9.843   4.290  -3.792
  570    HA   GLN  74           HA       GLN  74  10.257   2.987  -6.223
  571    HB2  GLN  74           2HB      GLN  74  11.551   2.704  -4.042
  572    HB3  GLN  74           1HB      GLN  74  10.267   1.615  -3.533
  573    HG2  GLN  74           2HG      GLN  74  10.740   0.236  -5.558
  574    HG3  GLN  74           1HG      GLN  74  12.139   1.264  -5.859
  575   HE21  GLN  74          1HE2      GLN  74  10.797  -1.252  -3.950
  576   HE22  GLN  74          2HE2      GLN  74  12.226  -1.640  -3.054
  577    H    ALA  75           HN       ALA  75   7.923   2.326  -3.640
  578    HA   ALA  75           HA       ALA  75   6.751   0.062  -4.865
  579    HB1  ALA  75           1HB      ALA  75   5.564   1.938  -2.820
  580    HB2  ALA  75           2HB      ALA  75   6.551   0.518  -2.474
  581    HB3  ALA  75           3HB      ALA  75   4.965   0.327  -3.221
  582    H    TRP  76           HN       TRP  76   5.964   3.517  -4.934
  583    HA   TRP  76           HA       TRP  76   3.511   3.254  -6.299
  584    HB2  TRP  76           2HB      TRP  76   5.418   5.537  -5.915
  585    HB3  TRP  76           1HB      TRP  76   4.012   5.710  -6.960
  586    HD1  TRP  76           1HD      TRP  76   1.975   4.024  -5.129
  587    HE1  TRP  76           1HE      TRP  76   1.078   5.096  -2.970
  588    HE3  TRP  76           3HE      TRP  76   5.604   7.556  -4.399
  589    HZ2  TRP  76           2HZ      TRP  76   1.807   7.151  -1.190
  590    HZ3  TRP  76           3HZ      TRP  76   5.421   9.037  -2.441
  591    HH2  TRP  76           2HH      TRP  76   3.563   8.838  -0.874
  592    H    GLU  77           HN       GLU  77   6.792   3.965  -7.564
  593    HA   GLU  77           HA       GLU  77   5.967   4.061 -10.269
  594    HB2  GLU  77           2HB      GLU  77   8.658   3.481  -9.033
  595    HB3  GLU  77           1HB      GLU  77   8.407   3.616 -10.767
  596    HG2  GLU  77           2HG      GLU  77   7.546   5.918 -10.404
  597    HG3  GLU  77           1HG      GLU  77   7.977   5.764  -8.702
  598    H    SER  78           HN       SER  78   7.066   1.425  -8.208
  599    HA   SER  78           HA       SER  78   7.273  -0.537 -10.231
  600    HB2  SER  78           2HB      SER  78   8.228  -0.671  -7.885
  601    HB3  SER  78           1HB      SER  78   6.598  -1.045  -7.325
  602    HG   SER  78           HG       SER  78   8.089  -2.531  -9.243
  603    H    GLY  79           HN       GLY  79   4.659   0.278  -7.963
  604    HA2  GLY  79           2HA      GLY  79   2.837  -1.658  -8.964
  605    HA3  GLY  79           1HA      GLY  79   2.435  -0.282  -7.949
  606    H    LEU  80           HN       LEU  80   3.627   1.602  -9.909
  607    HA   LEU  80           HA       LEU  80   1.298   2.207 -11.368
  608    HB2  LEU  80           2HB      LEU  80   3.431   3.625 -10.675
  609    HB3  LEU  80           1HB      LEU  80   3.963   3.176 -12.280
  610    HG   LEU  80           HG       LEU  80   1.836   4.166 -13.182
  611   HD11  LEU  80          1HD1      LEU  80   0.626   5.728 -11.736
  612   HD12  LEU  80          2HD1      LEU  80   1.609   5.215 -10.364
  613   HD13  LEU  80          3HD1      LEU  80   0.516   4.071 -11.143
  614   HD21  LEU  80          3HD2      LEU  80   3.953   5.371 -13.275
  615   HD22  LEU  80          1HD2      LEU  80   3.674   6.007 -11.654
  616   HD23  LEU  80          2HD2      LEU  80   2.611   6.478 -12.981
  617    H    ALA  81           HN       ALA  81   4.463   1.031 -12.461
  618    HA   ALA  81           HA       ALA  81   3.667   0.517 -15.133
  619    HB1  ALA  81           1HB      ALA  81   5.953  -0.687 -13.568
  620    HB2  ALA  81           2HB      ALA  81   6.014   0.812 -14.494
  621    HB3  ALA  81           3HB      ALA  81   5.766  -0.725 -15.322
  622    H    ALA  82           HN       ALA  82   3.544  -1.368 -12.190
  623    HA   ALA  82           HA       ALA  82   2.960  -3.868 -13.374
  624    HB1  ALA  82           1HB      ALA  82   2.097  -2.820 -10.679
  625    HB2  ALA  82           2HB      ALA  82   3.623  -3.635 -11.022
  626    HB3  ALA  82           3HB      ALA  82   2.100  -4.510 -11.185
  627    H    ALA  83           HN       ALA  83   0.921  -1.215 -12.222
  628    HA   ALA  83           HA       ALA  83  -1.543  -2.454 -12.912
  629    HB1  ALA  83           1HB      ALA  83  -2.531  -0.253 -12.557
  630    HB2  ALA  83           2HB      ALA  83  -0.923   0.467 -12.503
  631    HB3  ALA  83           3HB      ALA  83  -1.421  -0.672 -11.253
  632    H    GLN  84           HN       GLN  84   0.612  -0.193 -14.585
  633    HA   GLN  84           HA       GLN  84  -0.955   0.226 -16.863
  634    HB2  GLN  84           2HB      GLN  84   2.017   0.242 -16.386
  635    HB3  GLN  84           1HB      GLN  84   1.341   0.570 -17.972
  636    HG2  GLN  84           2HG      GLN  84   0.595   2.104 -15.500
  637    HG3  GLN  84           1HG      GLN  84   1.874   2.588 -16.611
  638   HE21  GLN  84          1HE2      GLN  84   1.339   3.337 -18.648
  639   HE22  GLN  84          2HE2      GLN  84  -0.273   3.799 -19.077
  640    H    SER  85           HN       SER  85   1.466  -2.273 -16.164
  641    HA   SER  85           HA       SER  85   1.195  -3.646 -18.622
  642    HB2  SER  85           2HB      SER  85   3.083  -3.902 -16.967
  643    HB3  SER  85           1HB      SER  85   1.989  -4.850 -15.960
  644    HG   SER  85           HG       SER  85   2.290  -5.572 -18.656
  645    H    ARG  86           HN       ARG  86  -0.540  -3.866 -15.558
  646    HA   ARG  86           HA       ARG  86  -2.032  -6.177 -16.184
  647    HB2  ARG  86           2HB      ARG  86  -1.385  -4.906 -13.958
  648    HB3  ARG  86           1HB      ARG  86  -2.907  -4.083 -14.249
  649    HG2  ARG  86           2HG      ARG  86  -2.900  -7.022 -14.365
  650    HG3  ARG  86           1HG      ARG  86  -2.704  -6.252 -12.795
  651    HD2  ARG  86           2HD      ARG  86  -4.748  -4.926 -13.238
  652    HD3  ARG  86           1HD      ARG  86  -4.961  -5.821 -14.742
  653    HE   ARG  86           HE       ARG  86  -4.876  -7.816 -12.968
  654   HH11  ARG  86          1HH1      ARG  86  -6.648  -4.787 -12.874
  655   HH12  ARG  86          2HH1      ARG  86  -7.968  -5.444 -11.959
  656   HH21  ARG  86          1HH2      ARG  86  -6.602  -8.682 -11.778
  657   HH22  ARG  86          2HH2      ARG  86  -7.942  -7.665 -11.338
  658    H    GLY  87           HN       GLY  87  -2.224  -2.946 -17.204
  659    HA2  GLY  87           2HA      GLY  87  -3.754  -1.883 -18.564
  660    HA3  GLY  87           1HA      GLY  87  -4.672  -3.378 -18.610
  661    H    ASP  88           HN       ASP  88  -3.794  -1.854 -15.628
  662    HA   ASP  88           HA       ASP  88  -6.639  -1.321 -15.132
  663    HB2  ASP  88           2HB      ASP  88  -5.288  -2.920 -13.603
  664    HB3  ASP  88           1HB      ASP  88  -4.538  -1.453 -12.980
  665    H    GLN  89           HN       GLN  89  -6.679   0.660 -16.102
  666    HA   GLN  89           HA       GLN  89  -4.836   2.728 -15.706
  667    HB2  GLN  89           2HB      GLN  89  -7.732   2.781 -16.526
  668    HB3  GLN  89           1HB      GLN  89  -6.649   4.152 -16.626
  669    HG2  GLN  89           2HG      GLN  89  -6.322   1.544 -18.081
  670    HG3  GLN  89           1HG      GLN  89  -6.921   3.044 -18.778
  671   HE21  GLN  89          1HE2      GLN  89  -4.145   1.307 -17.679
  672   HE22  GLN  89          2HE2      GLN  89  -2.954   2.393 -18.307
  673    H    GLN  90           HN       GLN  90  -7.765   1.854 -14.001
  674    HA   GLN  90           HA       GLN  90  -8.186   4.194 -12.559
  675    HB2  GLN  90           2HB      GLN  90  -9.773   2.307 -12.621
  676    HB3  GLN  90           1HB      GLN  90  -8.668   1.354 -11.640
  677    HG2  GLN  90           2HG      GLN  90  -8.902   2.991  -9.822
  678    HG3  GLN  90           1HG      GLN  90 -10.059   3.888 -10.803
  679   HE21  GLN  90          1HE2      GLN  90 -12.104   3.021 -11.170
  680   HE22  GLN  90          2HE2      GLN  90 -12.737   1.727 -10.206
  681    H    VAL  91           HN       VAL  91  -6.184   1.375 -11.724
  682    HA   VAL  91           HA       VAL  91  -5.470   2.329  -9.145
  683    HB   VAL  91           HB       VAL  91  -4.162   0.254 -10.928
  684   HG11  VAL  91          1HG1      VAL  91  -2.490   1.196  -9.393
  685   HG12  VAL  91          2HG1      VAL  91  -2.903  -0.461  -8.958
  686   HG13  VAL  91          3HG1      VAL  91  -3.566   0.883  -8.032
  687   HG21  VAL  91          3HG2      VAL  91  -6.378  -0.344 -10.150
  688   HG22  VAL  91          1HG2      VAL  91  -5.927   0.047  -8.488
  689   HG23  VAL  91          2HG2      VAL  91  -5.166  -1.314  -9.312
  690    H    VAL  92           HN       VAL  92  -3.960   2.579 -12.314
  691    HA   VAL  92           HA       VAL  92  -1.542   3.773 -11.571
  692    HB   VAL  92           HB       VAL  92  -3.137   4.252 -14.099
  693   HG11  VAL  92          1HG1      VAL  92  -0.978   4.865 -15.088
  694   HG12  VAL  92          2HG1      VAL  92  -0.218   4.709 -13.503
  695   HG13  VAL  92          3HG1      VAL  92  -1.435   5.954 -13.778
  696   HG21  VAL  92          3HG2      VAL  92  -2.659   1.897 -13.742
  697   HG22  VAL  92          1HG2      VAL  92  -0.954   2.269 -13.491
  698   HG23  VAL  92          2HG2      VAL  92  -1.690   2.532 -15.073
  699    H    LYS  93           HN       LYS  93  -4.617   5.256 -12.515
  700    HA   LYS  93           HA       LYS  93  -3.694   7.913 -12.188
  701    HB2  LYS  93           2HB      LYS  93  -6.513   6.837 -12.310
  702    HB3  LYS  93           1HB      LYS  93  -6.079   8.541 -12.400
  703    HG2  LYS  93           2HG      LYS  93  -4.712   8.018 -14.417
  704    HG3  LYS  93           1HG      LYS  93  -5.334   6.372 -14.354
  705    HD2  LYS  93           2HD      LYS  93  -6.984   8.876 -14.695
  706    HD3  LYS  93           1HD      LYS  93  -6.549   7.744 -15.974
  707    HE2  LYS  93           2HE      LYS  93  -7.749   5.964 -14.699
  708    HE3  LYS  93           1HE      LYS  93  -8.294   7.212 -13.578
  709    HZ1  LYS  93           3HZ      LYS  93  -8.982   6.890 -16.440
  710    HZ2  LYS  93           1HZ      LYS  93  -9.231   8.356 -15.621
  711    HZ3  LYS  93           2HZ      LYS  93 -10.024   6.950 -15.106
  712    H    GLU  94           HN       GLU  94  -5.210   5.633  -9.962
  713    HA   GLU  94           HA       GLU  94  -5.780   7.476  -7.906
  714    HB2  GLU  94           2HB      GLU  94  -5.054   4.543  -7.749
  715    HB3  GLU  94           1HB      GLU  94  -5.652   5.495  -6.405
  716    HG2  GLU  94           2HG      GLU  94  -7.703   5.954  -7.797
  717    HG3  GLU  94           1HG      GLU  94  -7.106   4.719  -8.905
  718    H    LEU  95           HN       LEU  95  -2.944   5.420  -8.517
  719    HA   LEU  95           HA       LEU  95  -1.451   6.365  -6.310
  720    HB2  LEU  95           2HB      LEU  95  -0.620   4.988  -8.852
  721    HB3  LEU  95           1HB      LEU  95   0.503   5.384  -7.565
  722    HG   LEU  95           HG       LEU  95  -1.878   3.533  -7.321
  723   HD11  LEU  95          1HD1      LEU  95  -0.044   2.576  -8.612
  724   HD12  LEU  95          2HD1      LEU  95  -0.193   1.793  -7.039
  725   HD13  LEU  95          3HD1      LEU  95   1.085   2.974  -7.316
  726   HD21  LEU  95          3HD2      LEU  95   0.222   4.322  -5.307
  727   HD22  LEU  95          1HD2      LEU  95  -0.986   3.057  -5.089
  728   HD23  LEU  95          2HD2      LEU  95  -1.493   4.738  -5.254
  729    H    GLN  96           HN       GLN  96  -1.811   7.465  -9.599
  730    HA   GLN  96           HA       GLN  96   0.338   9.217  -9.820
  731    HB2  GLN  96           2HB      GLN  96  -1.144   8.671 -11.686
  732    HB3  GLN  96           1HB      GLN  96  -2.465   9.527 -10.907
  733    HG2  GLN  96           2HG      GLN  96  -1.128  11.611 -11.057
  734    HG3  GLN  96           1HG      GLN  96   0.079  10.719 -11.982
  735   HE21  GLN  96          1HE2      GLN  96  -0.402  10.058 -14.074
  736   HE22  GLN  96          2HE2      GLN  96  -1.738  10.715 -14.959
  737    H    VAL  97           HN       VAL  97  -2.765   9.637  -8.201
  738    HA   VAL  97           HA       VAL  97  -2.633  12.403  -7.727
  739    HB   VAL  97           HB       VAL  97  -3.895  10.306  -5.944
  740   HG11  VAL  97          1HG1      VAL  97  -3.663  12.431  -4.809
  741   HG12  VAL  97          2HG1      VAL  97  -5.356  12.151  -5.219
  742   HG13  VAL  97          3HG1      VAL  97  -4.390  13.270  -6.180
  743   HG21  VAL  97          3HG2      VAL  97  -4.730  10.141  -8.222
  744   HG22  VAL  97          1HG2      VAL  97  -5.068  11.870  -8.239
  745   HG23  VAL  97          2HG2      VAL  97  -5.970  10.806  -7.160
  746    H    PHE  98           HN       PHE  98  -1.366   9.650  -5.915
  747    HA   PHE  98           HA       PHE  98  -0.399  11.136  -3.710
  748    HB2  PHE  98           2HB      PHE  98   0.435   8.448  -4.811
  749    HB3  PHE  98           1HB      PHE  98   1.029   9.117  -3.295
  750    HD1  PHE  98           2HD      PHE  98  -0.515   9.444  -1.398
  751    HD2  PHE  98           1HD      PHE  98  -1.724   7.479  -4.971
  752    HE1  PHE  98           2HE      PHE  98  -2.453   8.489  -0.215
  753    HE2  PHE  98           1HE      PHE  98  -3.660   6.520  -3.798
  754    HZ   PHE  98           HZ       PHE  98  -4.027   7.023  -1.417
  755    H    LEU  99           HN       LEU  99   0.980  10.230  -6.812
  756    HA   LEU  99           HA       LEU  99   3.648  10.957  -6.259
  757    HB2  LEU  99           2HB      LEU  99   2.166  10.882  -8.885
  758    HB3  LEU  99           1HB      LEU  99   3.905  11.035  -8.722
  759    HG   LEU  99           HG       LEU  99   2.282   8.665  -7.789
  760   HD11  LEU  99          1HD1      LEU  99   3.297   7.485  -9.665
  761   HD12  LEU  99          2HD1      LEU  99   4.094   8.970 -10.180
  762   HD13  LEU  99          3HD1      LEU  99   2.335   8.852 -10.226
  763   HD21  LEU  99          3HD2      LEU  99   4.484   7.601  -7.511
  764   HD22  LEU  99          1HD2      LEU  99   4.274   8.990  -6.445
  765   HD23  LEU  99          2HD2      LEU  99   5.260   9.136  -7.899
  766    H    ARG 100           HN       ARG 100   0.869  12.813  -7.316
  767    HA   ARG 100           HA       ARG 100   2.283  15.155  -8.078
  768    HB2  ARG 100           2HB      ARG 100  -0.560  14.991  -7.075
  769    HB3  ARG 100           1HB      ARG 100   0.134  16.215  -8.128
  770    HG2  ARG 100           2HG      ARG 100   0.626  14.229  -9.683
  771    HG3  ARG 100           1HG      ARG 100  -0.595  13.400  -8.737
  772    HD2  ARG 100           2HD      ARG 100  -1.026  16.035 -10.124
  773    HD3  ARG 100           1HD      ARG 100  -1.477  14.470 -10.797
  774    HE   ARG 100           HE       ARG 100  -2.662  15.698  -8.391
  775   HH11  ARG 100          1HH1      ARG 100  -2.793  13.412 -11.045
  776   HH12  ARG 100          2HH1      ARG 100  -4.454  12.995 -10.775
  777   HH21  ARG 100          1HH2      ARG 100  -4.840  15.183  -8.044
  778   HH22  ARG 100          2HH2      ARG 100  -5.642  14.039  -9.087
  779    H    ARG 101           HN       ARG 101   0.543  14.215  -5.171
  780    HA   ARG 101           HA       ARG 101   1.203  16.466  -3.613
  781    HB2  ARG 101           2HB      ARG 101  -0.525  14.880  -2.904
  782    HB3  ARG 101           1HB      ARG 101   0.695  13.630  -2.689
  783    HG2  ARG 101           2HG      ARG 101   1.759  14.990  -0.941
  784    HG3  ARG 101           1HG      ARG 101   0.495  16.204  -1.137
  785    HD2  ARG 101           2HD      ARG 101  -1.185  14.550  -0.473
  786    HD3  ARG 101           1HD      ARG 101   0.087  13.342  -0.273
  787    HE   ARG 101           HE       ARG 101   0.705  15.620   1.273
  788   HH11  ARG 101          1HH1      ARG 101  -1.537  12.914   1.235
  789   HH12  ARG 101          2HH1      ARG 101  -1.765  12.934   2.963
  790   HH21  ARG 101          1HH2      ARG 101   0.416  15.609   3.535
  791   HH22  ARG 101          2HH2      ARG 101  -0.637  14.435   4.259
  792    H    LEU 102           HN       LEU 102   2.854  13.404  -4.132
  793    HA   LEU 102           HA       LEU 102   4.925  13.663  -2.294
  794    HB2  LEU 102           2HB      LEU 102   4.411  11.603  -3.529
  795    HB3  LEU 102           1HB      LEU 102   4.966  12.351  -5.015
  796    HG   LEU 102           HG       LEU 102   7.238  12.553  -3.978
  797   HD11  LEU 102          1HD1      LEU 102   7.730  11.166  -2.027
  798   HD12  LEU 102          2HD1      LEU 102   6.015  10.795  -1.861
  799   HD13  LEU 102          3HD1      LEU 102   6.585  12.450  -1.642
  800   HD21  LEU 102          3HD2      LEU 102   7.804  10.193  -4.286
  801   HD22  LEU 102          1HD2      LEU 102   6.700  10.764  -5.541
  802   HD23  LEU 102          2HD2      LEU 102   6.094   9.773  -4.212
  803    H    ALA 103           HN       ALA 103   4.554  15.011  -5.526
  804    HA   ALA 103           HA       ALA 103   7.217  15.897  -5.848
  805    HB1  ALA 103           1HB      ALA 103   5.644  15.693  -7.721
  806    HB2  ALA 103           2HB      ALA 103   6.352  17.307  -7.633
  807    HB3  ALA 103           3HB      ALA 103   4.703  17.035  -7.069
  808    H    ARG 104           HN       ARG 104   4.375  17.347  -4.375
  809    HA   ARG 104           HA       ARG 104   5.526  19.905  -3.921
  810    HB2  ARG 104           2HB      ARG 104   3.318  18.535  -2.369
  811    HB3  ARG 104           1HB      ARG 104   3.690  20.252  -2.340
  812    HG2  ARG 104           2HG      ARG 104   3.132  20.358  -4.756
  813    HG3  ARG 104           1HG      ARG 104   2.629  18.668  -4.671
  814    HD2  ARG 104           2HD      ARG 104   1.019  19.311  -2.884
  815    HD3  ARG 104           1HD      ARG 104   1.456  20.995  -3.159
  816    HE   ARG 104           HE       ARG 104   0.400  19.391  -5.383
  817   HH11  ARG 104          1HH1      ARG 104   0.084  22.083  -3.165
  818   HH12  ARG 104          2HH1      ARG 104  -1.311  22.744  -3.957
  819   HH21  ARG 104          1HH2      ARG 104  -1.417  20.272  -6.452
  820   HH22  ARG 104          2HH2      ARG 104  -2.176  21.708  -5.826
  821    H    GLU 105           HN       GLU 105   5.305  16.944  -2.011
  822    HA   GLU 105           HA       GLU 105   6.578  17.907   0.310
  823    HB2  GLU 105           2HB      GLU 105   6.478  15.103  -0.816
  824    HB3  GLU 105           1HB      GLU 105   6.864  15.535   0.836
  825    HG2  GLU 105           2HG      GLU 105   4.627  16.417   1.154
  826    HG3  GLU 105           1HG      GLU 105   4.232  16.037  -0.518
  827    H    ASP 106           HN       ASP 106   7.731  16.317  -2.608
  828    HA   ASP 106           HA       ASP 106  10.422  15.971  -1.993
  829    HB2  ASP 106           2HB      ASP 106   9.260  15.115  -4.021
  830    HB3  ASP 106           1HB      ASP 106   9.245  16.746  -4.670
  831    H    ALA 107           HN       ALA 107   8.756  18.734  -3.368
  832    HA   ALA 107           HA       ALA 107  10.924  20.380  -3.939
  833    HB1  ALA 107           1HB      ALA 107   9.346  22.227  -3.918
  834    HB2  ALA 107           2HB      ALA 107   8.169  21.234  -3.058
  835    HB3  ALA 107           3HB      ALA 107   8.639  20.818  -4.708
  836    H    LEU 108           HN       LEU 108   9.408  19.706  -0.861
  837    HA   LEU 108           HA       LEU 108  10.348  21.950   0.555
  838    HB2  LEU 108           2HB      LEU 108   9.675  19.179   1.540
  839    HB3  LEU 108           1HB      LEU 108   9.922  20.574   2.560
  840    HG   LEU 108           HG       LEU 108   7.725  20.250   0.546
  841   HD11  LEU 108          1HD1      LEU 108   6.254  20.178   2.492
  842   HD12  LEU 108          2HD1      LEU 108   7.660  20.260   3.554
  843   HD13  LEU 108          3HD1      LEU 108   7.421  18.857   2.516
  844   HD21  LEU 108          3HD2      LEU 108   8.263  22.500   2.477
  845   HD22  LEU 108          1HD2      LEU 108   6.836  22.340   1.452
  846   HD23  LEU 108          2HD2      LEU 108   8.422  22.580   0.722
  847    H    GLU 109           HN       GLU 109  11.930  19.072  -0.508
  848    HA   GLU 109           HA       GLU 109  14.321  19.838   1.043
  849    HB2  GLU 109           2HB      GLU 109  13.732  17.112  -0.130
  850    HB3  GLU 109           1HB      GLU 109  15.069  17.542   0.926
  851    HG2  GLU 109           2HG      GLU 109  13.343  18.084   2.684
  852    HG3  GLU 109           1HG      GLU 109  12.157  17.333   1.620
  853    H    HIS 110           HN       HIS 110  13.106  20.510  -1.738
  854    HA   HIS 110           HA       HIS 110  15.476  19.815  -3.352
  855    HB2  HIS 110           2HB      HIS 110  13.106  18.705  -3.789
  856    HB3  HIS 110           1HB      HIS 110  12.798  20.224  -4.616
  857    HD1  HIS 110           1HD      HIS 110  13.058  17.269  -5.846
  858    HD2  HIS 110           2HD      HIS 110  15.857  20.349  -6.065
  859    HE1  HIS 110           1HE      HIS 110  14.472  16.770  -7.870
  860    HE2  HIS 110           2HE      HIS 110  16.239  18.568  -7.907
  861    H    HIS 111           HN       HIS 111  13.767  22.247  -1.950
  862    HA   HIS 111           HA       HIS 111  13.644  24.071  -4.190
  863    HB2  HIS 111           2HB      HIS 111  11.851  23.933  -2.463
  864    HB3  HIS 111           1HB      HIS 111  12.986  24.569  -1.280
  865    HD1  HIS 111           1HD      HIS 111  11.394  25.635  -4.570
  866    HD2  HIS 111           2HD      HIS 111  12.975  27.270  -1.092
  867    HE1  HIS 111           1HE      HIS 111  10.940  28.100  -4.714
  868    HE2  HIS 111           2HE      HIS 111  11.718  29.030  -2.510
  869    H    HIS 112           HN       HIS 112  15.937  23.307  -1.785
  870    HA   HIS 112           HA       HIS 112  17.278  25.888  -2.271
  871    HB2  HIS 112           2HB      HIS 112  16.609  25.239   0.134
  872    HB3  HIS 112           1HB      HIS 112  17.930  24.077   0.044
  873    HD1  HIS 112           1HD      HIS 112  18.611  25.828   2.146
  874    HD2  HIS 112           2HD      HIS 112  19.094  27.130  -1.778
  875    HE1  HIS 112           1HE      HIS 112  20.212  27.765   2.261
  876    HE2  HIS 112           2HE      HIS 112  20.303  28.669  -0.091
  877    H    HIS 113           HN       HIS 113  17.975  22.464  -1.612
  878    HA   HIS 113           HA       HIS 113  19.642  21.076  -2.246
  879    HB2  HIS 113           2HB      HIS 113  18.800  21.673  -4.536
  880    HB3  HIS 113           1HB      HIS 113  20.040  22.919  -4.614
  881    HD1  HIS 113           1HD      HIS 113  22.364  22.195  -5.324
  882    HD2  HIS 113           2HD      HIS 113  19.851  18.984  -4.492
  883    HE1  HIS 113           1HE      HIS 113  23.620  20.145  -6.049
  884    HE2  HIS 113           2HE      HIS 113  22.088  18.208  -5.542
  885    H    HIS 114           HN       HIS 114  20.691  21.917  -0.335
  886    HA   HIS 114           HA       HIS 114  23.275  23.139  -0.988
  887    HB2  HIS 114           2HB      HIS 114  21.887  24.984  -0.181
  888    HB3  HIS 114           1HB      HIS 114  21.434  24.054   1.242
  889    HD1  HIS 114           1HD      HIS 114  22.804  24.429   3.263
  890    HD2  HIS 114           2HD      HIS 114  24.773  25.626  -0.205
  891    HE1  HIS 114           1HE      HIS 114  24.944  25.521   4.033
  892    HE2  HIS 114           2HE      HIS 114  26.132  26.226   1.917
  893    H    HIS 115           HN       HIS 115  24.967  22.306   0.211
  894    HA   HIS 115           HA       HIS 115  24.257  20.473   2.382
  895    HB2  HIS 115           2HB      HIS 115  25.728  18.762   1.627
  896    HB3  HIS 115           1HB      HIS 115  24.755  19.216   0.240
  897    HD1  HIS 115           1HD      HIS 115  28.092  18.445   1.118
  898    HD2  HIS 115           2HD      HIS 115  26.342  21.196  -1.460
  899    HE1  HIS 115           1HE      HIS 115  29.899  19.096  -0.500
  900    HE2  HIS 115           2HE      HIS 115  28.856  20.841  -1.985
  Start of MODEL   19
    1    H1   MET   1           H1       MET   1 -12.651  -6.843  22.859
    2    H2   MET   1           H2       MET   1 -13.821  -5.914  22.058
    3    H3   MET   1           H3       MET   1 -12.306  -5.249  22.399
    4    HA   MET   1           HA       MET   1 -11.233  -6.771  20.918
    5    HB2  MET   1           2HB      MET   1 -12.710  -8.677  21.170
    6    HB3  MET   1           1HB      MET   1 -14.043  -7.787  20.448
    7    HG2  MET   1           2HG      MET   1 -12.921  -7.747  18.318
    8    HG3  MET   1           1HG      MET   1 -11.494  -8.504  19.016
    9    HE1  MET   1           2HE      MET   1 -11.328 -11.001  19.732
   10    HE2  MET   1           3HE      MET   1 -12.699 -12.109  19.797
   11    HE3  MET   1           1HE      MET   1 -12.623 -10.732  20.898
   12    H    GLN   2           HN       GLN   2 -10.612  -5.012  19.844
   13    HA   GLN   2           HA       GLN   2 -12.417  -4.102  17.713
   14    HB2  GLN   2           2HB      GLN   2 -12.249  -2.330  19.414
   15    HB3  GLN   2           1HB      GLN   2 -10.498  -2.353  19.275
   16    HG2  GLN   2           2HG      GLN   2 -10.657  -1.594  16.976
   17    HG3  GLN   2           1HG      GLN   2 -12.416  -1.638  17.067
   18   HE21  GLN   2          1HE2      GLN   2 -12.615   0.537  16.597
   19   HE22  GLN   2          2HE2      GLN   2 -12.206   1.773  17.735
   20    H    ALA   3           HN       ALA   3 -11.315  -3.475  15.791
   21    HA   ALA   3           HA       ALA   3  -9.901  -3.918  14.085
   22    HB1  ALA   3           1HB      ALA   3  -8.117  -2.920  15.460
   23    HB2  ALA   3           2HB      ALA   3  -7.527  -4.231  14.438
   24    HB3  ALA   3           3HB      ALA   3  -7.790  -4.505  16.160
   25    H    ILE   4           HN       ILE   4 -10.880  -5.553  13.227
   26    HA   ILE   4           HA       ILE   4 -11.441  -8.039  14.316
   27    HB   ILE   4           HB       ILE   4 -11.218  -7.371  11.383
   28   HG12  ILE   4          2HG1      ILE   4 -12.554  -5.686  12.509
   29   HG13  ILE   4          1HG1      ILE   4 -13.599  -6.736  11.562
   30   HG21  ILE   4          1HG2      ILE   4 -12.976  -9.040  11.084
   31   HG22  ILE   4          2HG2      ILE   4 -12.938  -9.394  12.812
   32   HG23  ILE   4          3HG2      ILE   4 -11.534  -9.754  11.807
   33   HD11  ILE   4          3HD1      ILE   4 -14.575  -6.200  13.727
   34   HD12  ILE   4          1HD1      ILE   4 -13.178  -6.913  14.534
   35   HD13  ILE   4          2HD1      ILE   4 -14.253  -7.928  13.574
   36    H    THR   5           HN       THR   5  -8.445  -6.992  13.207
   37    HA   THR   5           HA       THR   5  -7.468  -9.115  11.732
   38    HB   THR   5           HB       THR   5  -6.327  -6.976  11.840
   39    HG1  THR   5           1HG      THR   5  -4.658  -9.061  12.837
   40   HG21  THR   5          3HG2      THR   5  -5.599  -7.748  14.667
   41   HG22  THR   5          1HG2      THR   5  -6.657  -6.422  14.182
   42   HG23  THR   5          2HG2      THR   5  -4.941  -6.372  13.780
   43    H    GLU   6           HN       GLU   6  -7.767  -8.891  15.271
   44    HA   GLU   6           HA       GLU   6  -5.833 -10.951  15.719
   45    HB2  GLU   6           2HB      GLU   6  -6.160 -10.667  17.967
   46    HB3  GLU   6           1HB      GLU   6  -6.678  -9.103  17.370
   47    HG2  GLU   6           2HG      GLU   6  -8.631 -11.316  17.887
   48    HG3  GLU   6           1HG      GLU   6  -8.084 -10.235  19.166
   49    H    ARG   7           HN       ARG   7  -9.374 -10.876  15.547
   50    HA   ARG   7           HA       ARG   7  -9.615 -13.673  16.083
   51    HB2  ARG   7           2HB      ARG   7 -11.949 -13.449  15.516
   52    HB3  ARG   7           1HB      ARG   7 -11.454 -12.108  16.531
   53    HG2  ARG   7           2HG      ARG   7 -12.703 -10.986  15.013
   54    HG3  ARG   7           1HG      ARG   7 -11.147 -10.922  14.184
   55    HD2  ARG   7           2HD      ARG   7 -12.971 -11.570  12.670
   56    HD3  ARG   7           1HD      ARG   7 -11.761 -12.845  12.829
   57    HE   ARG   7           HE       ARG   7 -13.894 -13.189  14.689
   58   HH11  ARG   7          1HH1      ARG   7 -13.109 -13.588  11.301
   59   HH12  ARG   7          2HH1      ARG   7 -14.200 -14.922  11.066
   60   HH21  ARG   7          1HH2      ARG   7 -15.328 -14.939  14.387
   61   HH22  ARG   7          2HH2      ARG   7 -15.473 -15.681  12.823
   62    H    LEU   8           HN       LEU   8  -9.244 -11.740  13.178
   63    HA   LEU   8           HA       LEU   8  -9.604 -13.820  11.297
   64    HB2  LEU   8           2HB      LEU   8  -7.753 -11.433  11.184
   65    HB3  LEU   8           1HB      LEU   8  -8.143 -12.462   9.823
   66    HG   LEU   8           HG       LEU   8 -10.115 -10.734  11.320
   67   HD11  LEU   8          1HD1      LEU   8  -8.887 -10.399   8.583
   68   HD12  LEU   8          2HD1      LEU   8  -8.523  -9.423  10.005
   69   HD13  LEU   8          3HD1      LEU   8 -10.136  -9.374   9.293
   70   HD21  LEU   8          3HD2      LEU   8 -11.145 -12.745  10.408
   71   HD22  LEU   8          1HD2      LEU   8 -10.438 -12.402   8.830
   72   HD23  LEU   8          2HD2      LEU   8 -11.650 -11.316   9.506
   73    H    GLU   9           HN       GLU   9  -6.760 -12.681  13.072
   74    HA   GLU   9           HA       GLU   9  -4.880 -14.483  12.050
   75    HB2  GLU   9           2HB      GLU   9  -4.477 -12.385  13.378
   76    HB3  GLU   9           1HB      GLU   9  -4.959 -13.268  14.814
   77    HG2  GLU   9           2HG      GLU   9  -2.785 -14.405  13.152
   78    HG3  GLU   9           1HG      GLU   9  -2.443 -12.963  14.103
   79    H    ALA  10           HN       ALA  10  -7.276 -14.774  14.588
   80    HA   ALA  10           HA       ALA  10  -6.379 -17.139  15.798
   81    HB1  ALA  10           1HB      ALA  10  -8.122 -15.720  16.758
   82    HB2  ALA  10           2HB      ALA  10  -8.654 -17.394  16.620
   83    HB3  ALA  10           3HB      ALA  10  -9.221 -16.191  15.462
   84    H    MET  11           HN       MET  11  -8.536 -16.627  13.018
   85    HA   MET  11           HA       MET  11  -9.094 -19.350  12.541
   86    HB2  MET  11           2HB      MET  11  -9.034 -17.026  10.607
   87    HB3  MET  11           1HB      MET  11  -9.740 -18.598  10.281
   88    HG2  MET  11           2HG      MET  11 -11.309 -18.210  12.175
   89    HG3  MET  11           1HG      MET  11 -10.663 -16.573  12.296
   90    HE1  MET  11           3HE      MET  11 -10.722 -14.851  10.177
   91    HE2  MET  11           1HE      MET  11 -11.572 -15.211   8.671
   92    HE3  MET  11           2HE      MET  11 -10.114 -16.109   9.100
   93    H    LEU  12           HN       LEU  12  -6.534 -17.185  11.495
   94    HA   LEU  12           HA       LEU  12  -5.267 -18.869   9.648
   95    HB2  LEU  12           2HB      LEU  12  -4.831 -16.398  10.177
   96    HB3  LEU  12           1HB      LEU  12  -3.850 -16.962  11.512
   97    HG   LEU  12           HG       LEU  12  -2.589 -16.302   9.445
   98   HD11  LEU  12          1HD1      LEU  12  -1.546 -17.707  11.113
   99   HD12  LEU  12          2HD1      LEU  12  -1.054 -18.206   9.493
  100   HD13  LEU  12          3HD1      LEU  12  -2.257 -19.148  10.378
  101   HD21  LEU  12          3HD2      LEU  12  -2.532 -17.867   7.575
  102   HD22  LEU  12          1HD2      LEU  12  -4.141 -17.179   7.790
  103   HD23  LEU  12          2HD2      LEU  12  -3.807 -18.823   8.329
  104    H    ALA  13           HN       ALA  13  -5.002 -18.586  13.161
  105    HA   ALA  13           HA       ALA  13  -2.959 -20.546  13.473
  106    HB1  ALA  13           1HB      ALA  13  -3.368 -18.832  15.153
  107    HB2  ALA  13           2HB      ALA  13  -3.514 -20.446  15.851
  108    HB3  ALA  13           3HB      ALA  13  -4.962 -19.512  15.474
  109    H    GLN  14           HN       GLN  14  -6.197 -20.855  12.631
  110    HA   GLN  14           HA       GLN  14  -6.443 -23.547  13.756
  111    HB2  GLN  14           2HB      GLN  14  -8.424 -21.903  12.161
  112    HB3  GLN  14           1HB      GLN  14  -8.748 -23.476  12.877
  113    HG2  GLN  14           2HG      GLN  14  -8.109 -20.934  14.358
  114    HG3  GLN  14           1HG      GLN  14  -9.688 -21.703  14.226
  115   HE21  GLN  14          1HE2      GLN  14  -8.114 -21.048  16.582
  116   HE22  GLN  14          2HE2      GLN  14  -7.872 -22.537  17.432
  117    H    GLY  15           HN       GLY  15  -4.841 -22.339  11.306
  118    HA2  GLY  15           2HA      GLY  15  -3.857 -23.483   9.538
  119    HA3  GLY  15           1HA      GLY  15  -5.014 -24.787   9.770
  120    H    THR  16           HN       THR  16  -6.131 -21.528   9.488
  121    HA   THR  16           HA       THR  16  -7.258 -22.184   6.865
  122    HB   THR  16           HB       THR  16  -8.122 -19.974   8.750
  123    HG1  THR  16           1HG      THR  16  -8.699 -22.692   8.669
  124   HG21  THR  16          3HG2      THR  16 -10.153 -19.948   7.377
  125   HG22  THR  16          1HG2      THR  16  -9.476 -21.205   6.340
  126   HG23  THR  16          2HG2      THR  16  -8.725 -19.610   6.398
  127    H    ASP  17           HN       ASP  17  -5.248 -21.716   5.846
  128    HA   ASP  17           HA       ASP  17  -4.365 -18.939   5.850
  129    HB2  ASP  17           2HB      ASP  17  -2.628 -20.655   5.905
  130    HB3  ASP  17           1HB      ASP  17  -3.259 -21.378   4.430
  131    H    ASN  18           HN       ASN  18  -5.601 -17.629   4.674
  132    HA   ASN  18           HA       ASN  18  -6.426 -18.539   1.994
  133    HB2  ASN  18           2HB      ASN  18  -7.809 -16.407   3.619
  134    HB3  ASN  18           1HB      ASN  18  -8.365 -17.128   2.121
  135   HD21  ASN  18          1HD2      ASN  18  -7.698 -19.841   2.908
  136   HD22  ASN  18          2HD2      ASN  18  -8.862 -20.306   4.099
  137    H    MET  19           HN       MET  19  -6.250 -17.110   0.302
  138    HA   MET  19           HA       MET  19  -4.132 -15.241   0.365
  139    HB2  MET  19           2HB      MET  19  -4.730 -16.384  -1.691
  140    HB3  MET  19           1HB      MET  19  -6.337 -15.675  -1.657
  141    HG2  MET  19           2HG      MET  19  -4.927 -14.569  -3.287
  142    HG3  MET  19           1HG      MET  19  -5.384 -13.463  -1.993
  143    HE1  MET  19           3HE      MET  19  -1.834 -12.181  -2.939
  144    HE2  MET  19           1HE      MET  19  -3.518 -11.735  -2.657
  145    HE3  MET  19           2HE      MET  19  -3.098 -12.779  -4.015
  146    H    LEU  20           HN       LEU  20  -7.643 -14.915   0.454
  147    HA   LEU  20           HA       LEU  20  -7.469 -12.025   0.638
  148    HB2  LEU  20           2HB      LEU  20  -9.759 -13.973   0.595
  149    HB3  LEU  20           1HB      LEU  20 -10.007 -12.281   0.979
  150    HG   LEU  20           HG       LEU  20 -10.542 -12.586  -1.319
  151   HD11  LEU  20          1HD1      LEU  20  -8.966 -11.081  -2.420
  152   HD12  LEU  20          2HD1      LEU  20  -7.817 -11.318  -1.102
  153   HD13  LEU  20          3HD1      LEU  20  -9.362 -10.530  -0.793
  154   HD21  LEU  20          3HD2      LEU  20  -9.376 -14.672  -1.730
  155   HD22  LEU  20          1HD2      LEU  20  -7.824 -13.838  -1.661
  156   HD23  LEU  20          2HD2      LEU  20  -8.962 -13.476  -2.958
  157    H    LEU  21           HN       LEU  21  -6.458 -13.996   2.742
  158    HA   LEU  21           HA       LEU  21  -7.813 -12.712   5.020
  159    HB2  LEU  21           2HB      LEU  21  -7.924 -15.188   5.016
  160    HB3  LEU  21           1HB      LEU  21  -6.171 -15.247   5.018
  161    HG   LEU  21           HG       LEU  21  -6.148 -14.127   7.220
  162   HD11  LEU  21          1HD1      LEU  21  -8.228 -13.894   8.479
  163   HD12  LEU  21          2HD1      LEU  21  -9.144 -14.413   7.065
  164   HD13  LEU  21          3HD1      LEU  21  -8.244 -12.898   7.023
  165   HD21  LEU  21          3HD2      LEU  21  -6.064 -16.545   7.132
  166   HD22  LEU  21          1HD2      LEU  21  -7.824 -16.628   7.055
  167   HD23  LEU  21          2HD2      LEU  21  -7.034 -16.028   8.512
  168    H    ARG  22           HN       ARG  22  -4.625 -13.892   3.930
  169    HA   ARG  22           HA       ARG  22  -3.013 -12.622   5.791
  170    HB2  ARG  22           2HB      ARG  22  -2.434 -13.084   2.859
  171    HB3  ARG  22           1HB      ARG  22  -1.231 -12.670   4.068
  172    HG2  ARG  22           2HG      ARG  22  -1.787 -14.777   5.259
  173    HG3  ARG  22           1HG      ARG  22  -2.846 -15.201   3.911
  174    HD2  ARG  22           2HD      ARG  22  -0.957 -15.071   2.372
  175    HD3  ARG  22           1HD      ARG  22   0.102 -14.613   3.702
  176    HE   ARG  22           HE       ARG  22  -1.283 -17.204   3.808
  177   HH11  ARG  22          1HH1      ARG  22   1.667 -15.341   3.546
  178   HH12  ARG  22          2HH1      ARG  22   2.716 -16.710   3.719
  179   HH21  ARG  22          1HH2      ARG  22   0.087 -19.027   4.015
  180   HH22  ARG  22          2HH2      ARG  22   1.819 -18.815   3.963
  181    H    PHE  23           HN       PHE  23  -4.370 -11.368   2.799
  182    HA   PHE  23           HA       PHE  23  -2.997  -8.888   2.803
  183    HB2  PHE  23           2HB      PHE  23  -3.980  -9.876   0.780
  184    HB3  PHE  23           1HB      PHE  23  -5.590  -9.688   1.462
  185    HD1  PHE  23           2HD      PHE  23  -2.578  -7.638   0.654
  186    HD2  PHE  23           1HD      PHE  23  -6.824  -7.865   0.836
  187    HE1  PHE  23           2HE      PHE  23  -2.736  -5.403  -0.361
  188    HE2  PHE  23           1HE      PHE  23  -6.989  -5.631  -0.182
  189    HZ   PHE  23           HZ       PHE  23  -4.943  -4.397  -0.781
  190    H    THR  24           HN       THR  24  -6.128  -9.933   4.049
  191    HA   THR  24           HA       THR  24  -7.152  -7.387   4.655
  192    HB   THR  24           HB       THR  24  -7.832  -9.999   6.023
  193    HG1  THR  24           1HG      THR  24  -8.871 -10.518   4.229
  194   HG21  THR  24          3HG2      THR  24  -8.746  -7.979   7.111
  195   HG22  THR  24          1HG2      THR  24 -10.014  -8.964   6.383
  196   HG23  THR  24          2HG2      THR  24  -9.468  -7.494   5.576
  197    H    LEU  25           HN       LEU  25  -5.194  -9.663   6.543
  198    HA   LEU  25           HA       LEU  25  -5.242  -8.272   8.983
  199    HB2  LEU  25           2HB      LEU  25  -3.362 -10.209   7.722
  200    HB3  LEU  25           1HB      LEU  25  -2.794  -9.303   9.111
  201    HG   LEU  25           HG       LEU  25  -4.745 -10.169  10.408
  202   HD11  LEU  25          1HD1      LEU  25  -5.126 -11.963   8.020
  203   HD12  LEU  25          2HD1      LEU  25  -6.221 -10.681   8.529
  204   HD13  LEU  25          3HD1      LEU  25  -5.970 -12.085   9.563
  205   HD21  LEU  25          3HD2      LEU  25  -3.820 -12.414  10.714
  206   HD22  LEU  25          1HD2      LEU  25  -2.554 -11.192  10.611
  207   HD23  LEU  25          2HD2      LEU  25  -2.891 -12.230   9.226
  208    H    GLY  26           HN       GLY  26  -3.094  -7.987   6.182
  209    HA2  GLY  26           2HA      GLY  26  -1.398  -6.002   7.234
  210    HA3  GLY  26           1HA      GLY  26  -1.670  -6.310   5.528
  211    H    LYS  27           HN       LYS  27  -4.360  -5.748   5.308
  212    HA   LYS  27           HA       LYS  27  -4.459  -2.985   5.000
  213    HB2  LYS  27           2HB      LYS  27  -6.688  -4.993   5.331
  214    HB3  LYS  27           1HB      LYS  27  -6.938  -3.328   4.844
  215    HG2  LYS  27           2HG      LYS  27  -5.183  -5.220   3.317
  216    HG3  LYS  27           1HG      LYS  27  -6.909  -5.040   3.004
  217    HD2  LYS  27           2HD      LYS  27  -4.871  -2.817   2.884
  218    HD3  LYS  27           1HD      LYS  27  -5.532  -3.672   1.488
  219    HE2  LYS  27           2HE      LYS  27  -7.060  -1.971   3.458
  220    HE3  LYS  27           1HE      LYS  27  -6.682  -1.561   1.788
  221    HZ1  LYS  27           3HZ      LYS  27  -8.912  -2.310   1.850
  222    HZ2  LYS  27           1HZ      LYS  27  -8.514  -3.688   2.753
  223    HZ3  LYS  27           2HZ      LYS  27  -8.018  -3.556   1.138
  224    H    THR  28           HN       THR  28  -5.664  -5.023   7.625
  225    HA   THR  28           HA       THR  28  -6.959  -2.920   9.016
  226    HB   THR  28           HB       THR  28  -6.026  -5.557  10.165
  227    HG1  THR  28           1HG      THR  28  -7.279  -6.083   8.416
  228   HG21  THR  28          3HG2      THR  28  -8.323  -3.743  10.925
  229   HG22  THR  28          1HG2      THR  28  -6.808  -3.903  11.817
  230   HG23  THR  28          2HG2      THR  28  -7.909  -5.275  11.696
  231    H    TYR  29           HN       TYR  29  -3.781  -4.459   9.362
  232    HA   TYR  29           HA       TYR  29  -3.042  -3.013  11.679
  233    HB2  TYR  29           2HB      TYR  29  -1.466  -4.494   9.591
  234    HB3  TYR  29           1HB      TYR  29  -0.657  -3.592  10.865
  235    HD1  TYR  29           2HD      TYR  29  -2.111  -4.117  13.257
  236    HD2  TYR  29           1HD      TYR  29  -1.342  -6.759  10.009
  237    HE1  TYR  29           2HE      TYR  29  -2.334  -6.038  14.776
  238    HE2  TYR  29           1HE      TYR  29  -1.567  -8.688  11.518
  239    HH   TYR  29           HH       TYR  29  -1.357  -9.167  13.941
  240    H    ALA  30           HN       ALA  30  -2.660  -2.369   8.222
  241    HA   ALA  30           HA       ALA  30  -0.857  -0.203   8.505
  242    HB1  ALA  30           1HB      ALA  30  -2.789  -0.777   6.256
  243    HB2  ALA  30           2HB      ALA  30  -1.145  -1.403   6.393
  244    HB3  ALA  30           3HB      ALA  30  -1.415   0.327   6.184
  245    H    GLU  31           HN       GLU  31  -4.383  -0.337   8.155
  246    HA   GLU  31           HA       GLU  31  -4.951   2.367   8.113
  247    HB2  GLU  31           2HB      GLU  31  -6.327   0.005   8.080
  248    HB3  GLU  31           1HB      GLU  31  -6.794   0.665   9.640
  249    HG2  GLU  31           2HG      GLU  31  -6.971   2.260   7.117
  250    HG3  GLU  31           1HG      GLU  31  -8.251   1.181   7.653
  251    H    HIS  32           HN       HIS  32  -4.121   0.267  10.789
  252    HA   HIS  32           HA       HIS  32  -4.835   2.356  12.701
  253    HB2  HIS  32           2HB      HIS  32  -4.384  -0.594  12.965
  254    HB3  HIS  32           1HB      HIS  32  -4.336   0.458  14.375
  255    HD1  HIS  32           1HD      HIS  32  -6.547   1.459  15.198
  256    HD2  HIS  32           2HD      HIS  32  -6.922  -0.815  11.736
  257    HE1  HIS  32           1HE      HIS  32  -9.017   1.115  14.874
  258    HE2  HIS  32           2HE      HIS  32  -9.208  -0.009  12.627
  259    H    GLU  33           HN       GLU  33  -2.360   2.178  10.932
  260    HA   GLU  33           HA       GLU  33  -0.362   3.256  11.120
  261    HB2  GLU  33           2HB      GLU  33  -1.506   4.539  12.950
  262    HB3  GLU  33           1HB      GLU  33  -0.862   3.377  14.097
  263    HG2  GLU  33           2HG      GLU  33   1.419   4.022  13.408
  264    HG3  GLU  33           1HG      GLU  33   0.717   5.255  12.361
  265    H    GLN  34           HN       GLN  34  -0.983   0.269  11.924
  266    HA   GLN  34           HA       GLN  34   1.553  -0.375  13.222
  267    HB2  GLN  34           2HB      GLN  34  -0.650  -1.483  13.874
  268    HB3  GLN  34           1HB      GLN  34  -0.578  -2.324  12.333
  269    HG2  GLN  34           2HG      GLN  34   0.253  -3.765  14.055
  270    HG3  GLN  34           1HG      GLN  34   1.583  -3.303  12.995
  271   HE21  GLN  34          1HE2      GLN  34   1.643  -4.283  15.735
  272   HE22  GLN  34          2HE2      GLN  34   2.451  -3.062  16.667
  273    H    PHE  35           HN       PHE  35   2.038   0.786  10.940
  274    HA   PHE  35           HA       PHE  35   1.935  -0.500   8.514
  275    HB2  PHE  35           2HB      PHE  35   4.249   1.181   9.496
  276    HB3  PHE  35           1HB      PHE  35   3.772   0.920   7.824
  277    HD1  PHE  35           2HD      PHE  35   1.179   1.571   7.390
  278    HD2  PHE  35           1HD      PHE  35   3.693   3.189  10.417
  279    HE1  PHE  35           2HE      PHE  35  -0.246   3.574   7.498
  280    HE2  PHE  35           1HE      PHE  35   2.274   5.196  10.526
  281    HZ   PHE  35           HZ       PHE  35   0.302   5.390   9.065
  282    H    ASP  36           HN       ASP  36   4.184  -0.971  11.142
  283    HA   ASP  36           HA       ASP  36   6.231  -2.410   9.984
  284    HB2  ASP  36           2HB      ASP  36   6.188  -1.693  12.329
  285    HB3  ASP  36           1HB      ASP  36   4.915  -2.849  12.673
  286    H    ALA  37           HN       ALA  37   3.164  -3.580  11.237
  287    HA   ALA  37           HA       ALA  37   3.739  -6.340  10.704
  288    HB1  ALA  37           1HB      ALA  37   1.479  -6.765  11.497
  289    HB2  ALA  37           2HB      ALA  37   1.132  -5.036  11.472
  290    HB3  ALA  37           3HB      ALA  37   2.335  -5.677  12.589
  291    H    ALA  38           HN       ALA  38   2.223  -3.743   8.995
  292    HA   ALA  38           HA       ALA  38   0.656  -5.318   7.219
  293    HB1  ALA  38           1HB      ALA  38   0.159  -2.966   7.682
  294    HB2  ALA  38           2HB      ALA  38   0.365  -3.267   5.957
  295    HB3  ALA  38           3HB      ALA  38   1.656  -2.496   6.879
  296    H    LEU  39           HN       LEU  39   3.935  -4.028   7.114
  297    HA   LEU  39           HA       LEU  39   4.423  -4.136   4.393
  298    HB2  LEU  39           2HB      LEU  39   6.074  -4.078   6.805
  299    HB3  LEU  39           1HB      LEU  39   6.862  -4.836   5.435
  300    HG   LEU  39           HG       LEU  39   6.373  -2.786   4.096
  301   HD11  LEU  39          1HD1      LEU  39   4.495  -1.936   5.372
  302   HD12  LEU  39          2HD1      LEU  39   5.787  -0.738   5.288
  303   HD13  LEU  39          3HD1      LEU  39   5.543  -1.671   6.765
  304   HD21  LEU  39          3HD2      LEU  39   8.560  -3.132   5.086
  305   HD22  LEU  39          1HD2      LEU  39   8.007  -2.411   6.599
  306   HD23  LEU  39          2HD2      LEU  39   8.120  -1.424   5.145
  307    HA   PRO  40           HA       PRO  40   6.201  -8.629   4.729
  308    HB2  PRO  40           2HB      PRO  40   5.203 -10.166   6.773
  309    HB3  PRO  40           1HB      PRO  40   6.758  -9.328   6.828
  310    HG2  PRO  40           2HG      PRO  40   4.126  -8.525   7.996
  311    HG3  PRO  40           1HG      PRO  40   5.755  -8.370   8.680
  312    HD2  PRO  40           2HD      PRO  40   4.460  -6.282   7.579
  313    HD3  PRO  40           1HD      PRO  40   6.222  -6.462   7.469
  314    H    HIS  41           HN       HIS  41   2.940  -7.993   5.882
  315    HA   HIS  41           HA       HIS  41   1.813 -10.369   4.778
  316    HB2  HIS  41           2HB      HIS  41   0.629  -7.871   5.959
  317    HB3  HIS  41           1HB      HIS  41  -0.393  -9.077   5.181
  318    HD1  HIS  41           1HD      HIS  41   1.340  -8.328   8.330
  319    HD2  HIS  41           2HD      HIS  41  -0.306 -11.666   6.471
  320    HE1  HIS  41           1HE      HIS  41   1.087 -10.057  10.137
  321    HE2  HIS  41           2HE      HIS  41   0.335 -12.145   8.933
  322    H    LEU  42           HN       LEU  42   1.837  -6.964   3.743
  323    HA   LEU  42           HA       LEU  42   0.329  -7.452   1.386
  324    HB2  LEU  42           2HB      LEU  42   1.986  -5.188   2.389
  325    HB3  LEU  42           1HB      LEU  42   1.576  -5.223   0.686
  326    HG   LEU  42           HG       LEU  42  -0.833  -5.305   1.308
  327   HD11  LEU  42          1HD1      LEU  42  -1.488  -4.765   3.594
  328   HD12  LEU  42          2HD1      LEU  42   0.202  -4.841   4.098
  329   HD13  LEU  42          3HD1      LEU  42  -0.612  -6.294   3.517
  330   HD21  LEU  42          3HD2      LEU  42   0.234  -3.198   0.738
  331   HD22  LEU  42          1HD2      LEU  42   0.728  -2.978   2.416
  332   HD23  LEU  42          2HD2      LEU  42  -0.983  -2.962   1.992
  333    H    ARG  43           HN       ARG  43   3.777  -7.455   2.108
  334    HA   ARG  43           HA       ARG  43   4.704  -7.642  -0.545
  335    HB2  ARG  43           2HB      ARG  43   6.131  -7.153   1.451
  336    HB3  ARG  43           1HB      ARG  43   5.987  -8.843   1.914
  337    HG2  ARG  43           2HG      ARG  43   7.087  -9.517  -0.156
  338    HG3  ARG  43           1HG      ARG  43   7.211  -7.826  -0.643
  339    HD2  ARG  43           2HD      ARG  43   8.551  -7.408   1.420
  340    HD3  ARG  43           1HD      ARG  43   8.538  -9.147   1.717
  341    HE   ARG  43           HE       ARG  43   9.515  -9.072  -0.763
  342   HH11  ARG  43          1HH1      ARG  43  10.353  -7.217   2.086
  343   HH12  ARG  43          2HH1      ARG  43  11.989  -6.927   1.582
  344   HH21  ARG  43          1HH2      ARG  43  11.666  -8.708  -1.435
  345   HH22  ARG  43          2HH2      ARG  43  12.739  -7.770  -0.431
  346    H    ALA  44           HN       ALA  44   3.774 -10.097   1.823
  347    HA   ALA  44           HA       ALA  44   4.394 -12.336   0.224
  348    HB1  ALA  44           1HB      ALA  44   2.317 -12.133   2.401
  349    HB2  ALA  44           2HB      ALA  44   4.025 -12.497   2.650
  350    HB3  ALA  44           3HB      ALA  44   3.004 -13.619   1.750
  351    H    ALA  45           HN       ALA  45   1.406 -10.476   0.657
  352    HA   ALA  45           HA       ALA  45  -0.261 -12.042  -0.961
  353    HB1  ALA  45           1HB      ALA  45  -0.390  -9.067  -0.480
  354    HB2  ALA  45           2HB      ALA  45  -1.080 -10.312   0.561
  355    HB3  ALA  45           3HB      ALA  45  -1.706 -10.083  -1.072
  356    H    LEU  46           HN       LEU  46   1.774  -9.251  -1.780
  357    HA   LEU  46           HA       LEU  46   1.060  -9.188  -4.517
  358    HB2  LEU  46           2HB      LEU  46   3.377  -8.068  -2.976
  359    HB3  LEU  46           1HB      LEU  46   3.284  -7.909  -4.719
  360    HG   LEU  46           HG       LEU  46   1.234  -6.854  -2.768
  361   HD11  LEU  46          1HD1      LEU  46   2.085  -4.654  -3.400
  362   HD12  LEU  46          2HD1      LEU  46   3.323  -5.414  -4.398
  363   HD13  LEU  46          3HD1      LEU  46   3.346  -5.631  -2.648
  364   HD21  LEU  46          3HD2      LEU  46   0.286  -5.748  -4.730
  365   HD22  LEU  46          1HD2      LEU  46   0.269  -7.502  -4.917
  366   HD23  LEU  46          2HD2      LEU  46   1.482  -6.536  -5.759
  367    H    ASP  47           HN       ASP  47   3.346 -11.080  -2.724
  368    HA   ASP  47           HA       ASP  47   4.856 -11.986  -4.961
  369    HB2  ASP  47           2HB      ASP  47   5.561 -12.176  -2.547
  370    HB3  ASP  47           1HB      ASP  47   4.387 -13.473  -2.371
  371    H    PHE  48           HN       PHE  48   1.978 -13.117  -3.291
  372    HA   PHE  48           HA       PHE  48   1.746 -15.530  -4.811
  373    HB2  PHE  48           2HB      PHE  48  -0.302 -14.079  -3.119
  374    HB3  PHE  48           1HB      PHE  48  -0.533 -15.676  -3.819
  375    HD1  PHE  48           1HD      PHE  48   1.953 -17.037  -3.301
  376    HD2  PHE  48           2HD      PHE  48  -0.190 -14.300  -0.849
  377    HE1  PHE  48           1HE      PHE  48   2.941 -18.065  -1.301
  378    HE2  PHE  48           2HE      PHE  48   0.798 -15.324   1.159
  379    HZ   PHE  48           HZ       PHE  48   2.367 -17.207   0.935
  380    H    ASP  49           HN       ASP  49   0.212 -12.331  -4.977
  381    HA   ASP  49           HA       ASP  49  -0.550 -12.847  -7.731
  382    HB2  ASP  49           2HB      ASP  49  -2.403 -13.617  -6.020
  383    HB3  ASP  49           1HB      ASP  49  -2.760 -11.892  -5.966
  384    HA   PRO  50           HA       PRO  50   0.948  -8.608  -7.003
  385    HB2  PRO  50           2HB      PRO  50   1.745  -8.763  -9.812
  386    HB3  PRO  50           1HB      PRO  50   2.744  -8.517  -8.378
  387    HG2  PRO  50           2HG      PRO  50   2.789 -10.806  -9.824
  388    HG3  PRO  50           1HG      PRO  50   3.102 -10.762  -8.079
  389    HD2  PRO  50           2HD      PRO  50   0.625 -11.565  -9.550
  390    HD3  PRO  50           1HD      PRO  50   1.357 -12.277  -8.096
  391    H    THR  51           HN       THR  51  -1.592  -9.789  -8.864
  392    HA   THR  51           HA       THR  51  -1.947  -7.478 -10.549
  393    HB   THR  51           HB       THR  51  -2.666  -9.937 -11.022
  394    HG1  THR  51           1HG      THR  51  -4.712  -8.120 -11.675
  395   HG21  THR  51          3HG2      THR  51  -5.095  -8.907  -9.552
  396   HG22  THR  51          1HG2      THR  51  -4.077 -10.267  -9.069
  397   HG23  THR  51          2HG2      THR  51  -5.042 -10.366 -10.540
  398    H    TYR  52           HN       TYR  52  -2.582  -8.044  -7.317
  399    HA   TYR  52           HA       TYR  52  -5.105  -6.731  -7.114
  400    HB2  TYR  52           2HB      TYR  52  -3.054  -7.707  -5.164
  401    HB3  TYR  52           1HB      TYR  52  -4.359  -6.666  -4.626
  402    HD1  TYR  52           2HD      TYR  52  -3.657  -9.898  -6.307
  403    HD2  TYR  52           1HD      TYR  52  -6.506  -7.537  -4.212
  404    HE1  TYR  52           2HE      TYR  52  -5.157 -11.839  -6.165
  405    HE2  TYR  52           1HE      TYR  52  -8.013  -9.473  -4.068
  406    HH   TYR  52           HH       TYR  52  -8.421 -11.575  -5.262
  407    H    SER  53           HN       SER  53  -5.052  -4.734  -7.959
  408    HA   SER  53           HA       SER  53  -3.029  -2.833  -7.755
  409    HB2  SER  53           2HB      SER  53  -4.928  -1.205  -8.327
  410    HB3  SER  53           1HB      SER  53  -4.640  -2.528  -9.458
  411    HG   SER  53           HG       SER  53  -6.483  -3.446  -8.906
  412    H    VAL  54           HN       VAL  54  -5.671  -3.574  -5.603
  413    HA   VAL  54           HA       VAL  54  -5.676  -1.301  -3.992
  414    HB   VAL  54           HB       VAL  54  -6.123  -4.151  -3.083
  415   HG11  VAL  54          1HG1      VAL  54  -7.560  -3.133  -1.369
  416   HG12  VAL  54          2HG1      VAL  54  -7.108  -1.531  -1.952
  417   HG13  VAL  54          3HG1      VAL  54  -5.889  -2.584  -1.233
  418   HG21  VAL  54          3HG2      VAL  54  -7.511  -3.670  -5.019
  419   HG22  VAL  54          1HG2      VAL  54  -8.081  -2.179  -4.264
  420   HG23  VAL  54          2HG2      VAL  54  -8.501  -3.740  -3.559
  421    H    ALA  55           HN       ALA  55  -3.552  -4.091  -4.035
  422    HA   ALA  55           HA       ALA  55  -2.281  -3.573  -1.549
  423    HB1  ALA  55           1HB      ALA  55  -0.673  -5.257  -2.229
  424    HB2  ALA  55           2HB      ALA  55  -1.290  -5.205  -3.879
  425    HB3  ALA  55           3HB      ALA  55  -2.316  -5.796  -2.574
  426    H    TRP  56           HN       TRP  56  -1.514  -2.723  -4.913
  427    HA   TRP  56           HA       TRP  56   1.082  -1.728  -4.461
  428    HB2  TRP  56           2HB      TRP  56  -0.760  -0.442  -6.465
  429    HB3  TRP  56           1HB      TRP  56   0.969  -0.710  -6.584
  430    HD1  TRP  56           1HD      TRP  56   0.656  -3.968  -5.930
  431    HE1  TRP  56           1HE      TRP  56  -0.142  -5.455  -7.870
  432    HE3  TRP  56           3HE      TRP  56  -1.481  -0.381  -8.872
  433    HZ2  TRP  56           2HZ      TRP  56  -1.491  -5.152 -10.315
  434    HZ3  TRP  56           3HZ      TRP  56  -2.503  -1.066 -11.004
  435    HH2  TRP  56           2HH      TRP  56  -2.507  -3.405 -11.710
  436    H    LYS  57           HN       LYS  57  -2.071  -0.191  -4.477
  437    HA   LYS  57           HA       LYS  57  -1.186   2.445  -4.044
  438    HB2  LYS  57           2HB      LYS  57  -3.276   2.202  -5.041
  439    HB3  LYS  57           1HB      LYS  57  -3.818   1.033  -3.860
  440    HG2  LYS  57           2HG      LYS  57  -4.025   2.797  -2.193
  441    HG3  LYS  57           1HG      LYS  57  -3.438   3.977  -3.370
  442    HD2  LYS  57           2HD      LYS  57  -5.340   3.697  -4.745
  443    HD3  LYS  57           1HD      LYS  57  -5.849   2.252  -3.871
  444    HE2  LYS  57           2HE      LYS  57  -6.272   3.637  -1.882
  445    HE3  LYS  57           1HE      LYS  57  -5.808   5.071  -2.798
  446    HZ1  LYS  57           3HZ      LYS  57  -8.288   4.448  -2.589
  447    HZ2  LYS  57           1HZ      LYS  57  -7.949   3.310  -3.800
  448    HZ3  LYS  57           2HZ      LYS  57  -7.698   4.964  -4.097
  449    H    TRP  58           HN       TRP  58  -2.327  -0.055  -1.787
  450    HA   TRP  58           HA       TRP  58  -2.196   1.703   0.464
  451    HB2  TRP  58           2HB      TRP  58  -2.687  -1.211   0.095
  452    HB3  TRP  58           1HB      TRP  58  -2.249  -0.626   1.697
  453    HD1  TRP  58           1HD      TRP  58  -5.084  -0.458  -0.875
  454    HE1  TRP  58           1HE      TRP  58  -7.187   0.485   0.284
  455    HE3  TRP  58           3HE      TRP  58  -3.006   0.887   3.605
  456    HZ2  TRP  58           2HZ      TRP  58  -7.856   1.658   2.757
  457    HZ3  TRP  58           3HZ      TRP  58  -4.449   1.918   5.310
  458    HH2  TRP  58           2HH      TRP  58  -6.825   2.295   4.891
  459    H    LEU  59           HN       LEU  59   0.022  -0.616  -0.985
  460    HA   LEU  59           HA       LEU  59   1.922  -0.693   1.083
  461    HB2  LEU  59           2HB      LEU  59   1.746  -2.051  -1.138
  462    HB3  LEU  59           1HB      LEU  59   2.679  -0.738  -1.825
  463    HG   LEU  59           HG       LEU  59   4.008  -2.757  -1.155
  464   HD11  LEU  59          1HD1      LEU  59   5.837  -1.508  -0.130
  465   HD12  LEU  59          2HD1      LEU  59   4.733  -0.182   0.231
  466   HD13  LEU  59          3HD1      LEU  59   5.090  -0.597  -1.445
  467   HD21  LEU  59          3HD2      LEU  59   4.517  -3.058   1.222
  468   HD22  LEU  59          1HD2      LEU  59   2.813  -3.338   0.878
  469   HD23  LEU  59          2HD2      LEU  59   3.325  -1.826   1.631
  470    H    GLY  60           HN       GLY  60   1.553   1.479  -1.699
  471    HA2  GLY  60           2HA      GLY  60   3.764   3.132  -1.183
  472    HA3  GLY  60           1HA      GLY  60   2.324   3.608  -2.069
  473    H    LYS  61           HN       LYS  61   0.391   3.407  -0.096
  474    HA   LYS  61           HA       LYS  61   0.601   5.818   1.301
  475    HB2  LYS  61           2HB      LYS  61  -1.117   3.391   1.834
  476    HB3  LYS  61           1HB      LYS  61  -1.294   4.910   2.697
  477    HG2  LYS  61           2HG      LYS  61  -1.926   6.051   0.686
  478    HG3  LYS  61           1HG      LYS  61  -1.569   4.622  -0.288
  479    HD2  LYS  61           2HD      LYS  61  -3.966   4.832   0.073
  480    HD3  LYS  61           1HD      LYS  61  -3.345   3.393   0.881
  481    HE2  LYS  61           2HE      LYS  61  -4.870   4.444   2.376
  482    HE3  LYS  61           1HE      LYS  61  -3.247   4.738   2.996
  483    HZ1  LYS  61           3HZ      LYS  61  -3.307   6.960   2.149
  484    HZ2  LYS  61           1HZ      LYS  61  -4.726   6.711   3.045
  485    HZ3  LYS  61           2HZ      LYS  61  -4.780   6.681   1.352
  486    H    THR  62           HN       THR  62   1.298   2.520   2.290
  487    HA   THR  62           HA       THR  62   1.685   2.989   5.030
  488    HB   THR  62           HB       THR  62   2.949   0.859   3.295
  489    HG1  THR  62           1HG      THR  62   0.665   0.824   3.163
  490   HG21  THR  62          3HG2      THR  62   2.419   0.907   6.266
  491   HG22  THR  62          1HG2      THR  62   4.000   1.068   5.501
  492   HG23  THR  62          2HG2      THR  62   3.100  -0.440   5.355
  493    H    LEU  63           HN       LEU  63   4.053   2.801   2.361
  494    HA   LEU  63           HA       LEU  63   6.294   3.378   3.985
  495    HB2  LEU  63           2HB      LEU  63   5.748   3.337   1.053
  496    HB3  LEU  63           1HB      LEU  63   7.251   4.023   1.637
  497    HG   LEU  63           HG       LEU  63   7.360   1.626   0.913
  498   HD11  LEU  63          1HD1      LEU  63   8.784   0.935   2.781
  499   HD12  LEU  63          2HD1      LEU  63   8.102   2.223   3.774
  500   HD13  LEU  63          3HD1      LEU  63   9.062   2.623   2.351
  501   HD21  LEU  63          3HD2      LEU  63   6.588  -0.087   2.475
  502   HD22  LEU  63          1HD2      LEU  63   5.243   0.835   1.804
  503   HD23  LEU  63          2HD2      LEU  63   5.801   1.157   3.445
  504    H    GLN  64           HN       GLN  64   4.090   5.422   2.133
  505    HA   GLN  64           HA       GLN  64   5.551   7.831   2.455
  506    HB2  GLN  64           2HB      GLN  64   3.758   7.615   0.796
  507    HB3  GLN  64           1HB      GLN  64   2.577   7.430   2.081
  508    HG2  GLN  64           2HG      GLN  64   2.976   9.678   2.844
  509    HG3  GLN  64           1HG      GLN  64   4.277   9.879   1.673
  510   HE21  GLN  64          1HE2      GLN  64   3.784  10.239  -0.466
  511   HE22  GLN  64          2HE2      GLN  64   2.194  10.632  -1.009
  512    H    GLY  65           HN       GLY  65   3.091   6.205   4.359
  513    HA2  GLY  65           2HA      GLY  65   2.708   8.216   6.299
  514    HA3  GLY  65           1HA      GLY  65   2.373   6.505   6.515
  515    H    GLN  66           HN       GLN  66   5.205   5.810   5.922
  516    HA   GLN  66           HA       GLN  66   6.248   6.244   8.588
  517    HB2  GLN  66           2HB      GLN  66   6.480   4.033   7.573
  518    HB3  GLN  66           1HB      GLN  66   7.385   4.721   6.232
  519    HG2  GLN  66           2HG      GLN  66   9.197   5.319   7.702
  520    HG3  GLN  66           1HG      GLN  66   8.281   4.779   9.106
  521   HE21  GLN  66          1HE2      GLN  66   7.236   2.434   7.701
  522   HE22  GLN  66          2HE2      GLN  66   8.545   1.302   7.632
  523    H    GLY  67           HN       GLY  67   6.734   7.438   5.368
  524    HA2  GLY  67           2HA      GLY  67   7.735   9.491   4.848
  525    HA3  GLY  67           1HA      GLY  67   8.499   9.497   6.432
  526    H    ASP  68           HN       ASP  68   8.563   7.024   3.888
  527    HA   ASP  68           HA       ASP  68  11.483   7.342   3.806
  528    HB2  ASP  68           2HB      ASP  68  10.566   5.119   4.651
  529    HB3  ASP  68           1HB      ASP  68   9.985   4.844   3.008
  530    H    ARG  69           HN       ARG  69  11.918   8.556   2.148
  531    HA   ARG  69           HA       ARG  69  10.272   9.064  -0.041
  532    HB2  ARG  69           2HB      ARG  69  13.262   9.444   0.227
  533    HB3  ARG  69           1HB      ARG  69  12.265  10.172  -1.026
  534    HG2  ARG  69           2HG      ARG  69  11.166  11.570   0.496
  535    HG3  ARG  69           1HG      ARG  69  11.690  10.620   1.885
  536    HD2  ARG  69           2HD      ARG  69  12.991  12.587   1.914
  537    HD3  ARG  69           1HD      ARG  69  14.048  11.313   1.316
  538    HE   ARG  69           HE       ARG  69  12.936  12.558  -0.905
  539   HH11  ARG  69          1HH1      ARG  69  14.969  13.432   1.802
  540   HH12  ARG  69          2HH1      ARG  69  15.866  14.622   0.913
  541   HH21  ARG  69          1HH2      ARG  69  14.083  14.187  -2.079
  542   HH22  ARG  69          2HH2      ARG  69  15.367  15.057  -1.276
  543    H    ALA  70           HN       ALA  70  13.138   6.952   0.139
  544    HA   ALA  70           HA       ALA  70  13.057   6.229  -2.611
  545    HB1  ALA  70           1HB      ALA  70  14.736   4.572  -2.036
  546    HB2  ALA  70           2HB      ALA  70  14.408   4.812  -0.322
  547    HB3  ALA  70           3HB      ALA  70  15.105   6.118  -1.276
  548    H    GLY  71           HN       GLY  71  11.980   4.567   0.353
  549    HA2  GLY  71           2HA      GLY  71  11.246   2.154  -0.922
  550    HA3  GLY  71           1HA      GLY  71  10.695   2.693   0.657
  551    H    ALA  72           HN       ALA  72   9.371   5.050  -0.128
  552    HA   ALA  72           HA       ALA  72   6.866   3.965  -0.892
  553    HB1  ALA  72           1HB      ALA  72   7.070   5.925   0.564
  554    HB2  ALA  72           2HB      ALA  72   6.060   6.263  -0.841
  555    HB3  ALA  72           3HB      ALA  72   7.721   6.854  -0.785
  556    H    ARG  73           HN       ARG  73   9.216   6.018  -2.582
  557    HA   ARG  73           HA       ARG  73   7.765   6.313  -4.970
  558    HB2  ARG  73           2HB      ARG  73   9.635   7.751  -4.415
  559    HB3  ARG  73           1HB      ARG  73  10.740   6.385  -4.465
  560    HG2  ARG  73           2HG      ARG  73  10.319   6.133  -6.858
  561    HG3  ARG  73           1HG      ARG  73   9.203   7.500  -6.801
  562    HD2  ARG  73           2HD      ARG  73  11.005   8.970  -6.108
  563    HD3  ARG  73           1HD      ARG  73  12.129   7.613  -6.077
  564    HE   ARG  73           HE       ARG  73  11.225   7.563  -8.619
  565   HH11  ARG  73          1HH1      ARG  73  12.488  10.150  -6.610
  566   HH12  ARG  73          2HH1      ARG  73  13.204  11.011  -7.940
  567   HH21  ARG  73          1HH2      ARG  73  12.182   8.705 -10.366
  568   HH22  ARG  73          2HH2      ARG  73  13.017  10.199 -10.059
  569    H    GLN  74           HN       GLN  74  10.061   3.878  -3.889
  570    HA   GLN  74           HA       GLN  74  10.485   2.496  -6.272
  571    HB2  GLN  74           2HB      GLN  74  11.646   2.149  -4.038
  572    HB3  GLN  74           1HB      GLN  74  10.241   1.216  -3.545
  573    HG2  GLN  74           2HG      GLN  74  11.842  -0.350  -4.239
  574    HG3  GLN  74           1HG      GLN  74  10.666  -0.256  -5.550
  575   HE21  GLN  74          1HE2      GLN  74  13.451  -1.123  -5.589
  576   HE22  GLN  74          2HE2      GLN  74  14.254  -0.114  -6.751
  577    H    ALA  75           HN       ALA  75   7.975   2.083  -3.811
  578    HA   ALA  75           HA       ALA  75   6.686  -0.104  -5.056
  579    HB1  ALA  75           1HB      ALA  75   4.887   0.285  -3.491
  580    HB2  ALA  75           2HB      ALA  75   5.525   1.887  -3.115
  581    HB3  ALA  75           3HB      ALA  75   6.442   0.445  -2.671
  582    H    TRP  76           HN       TRP  76   6.141   3.390  -5.184
  583    HA   TRP  76           HA       TRP  76   3.655   3.231  -6.507
  584    HB2  TRP  76           2HB      TRP  76   5.618   5.456  -6.091
  585    HB3  TRP  76           1HB      TRP  76   4.190   5.681  -7.097
  586    HD1  TRP  76           1HD      TRP  76   2.123   4.043  -5.343
  587    HE1  TRP  76           1HE      TRP  76   1.308   5.033  -3.114
  588    HE3  TRP  76           3HE      TRP  76   5.952   7.292  -4.465
  589    HZ2  TRP  76           2HZ      TRP  76   2.188   6.934  -1.220
  590    HZ3  TRP  76           3HZ      TRP  76   5.894   8.658  -2.428
  591    HH2  TRP  76           2HH      TRP  76   4.054   8.486  -0.840
  592    H    GLU  77           HN       GLU  77   6.932   3.892  -7.781
  593    HA   GLU  77           HA       GLU  77   6.040   4.228 -10.437
  594    HB2  GLU  77           2HB      GLU  77   8.741   3.478  -9.332
  595    HB3  GLU  77           1HB      GLU  77   8.447   3.743 -11.045
  596    HG2  GLU  77           2HG      GLU  77   7.531   6.025 -10.349
  597    HG3  GLU  77           1HG      GLU  77   8.299   5.716  -8.794
  598    H    SER  78           HN       SER  78   6.999   1.395  -8.615
  599    HA   SER  78           HA       SER  78   6.978  -0.402 -10.820
  600    HB2  SER  78           2HB      SER  78   6.605  -1.003  -7.876
  601    HB3  SER  78           1HB      SER  78   7.029  -2.169  -9.130
  602    HG   SER  78           HG       SER  78   8.592  -0.238  -7.877
  603    H    GLY  79           HN       GLY  79   4.577   0.497  -8.368
  604    HA2  GLY  79           2HA      GLY  79   2.583  -1.327  -9.309
  605    HA3  GLY  79           1HA      GLY  79   2.335   0.001  -8.184
  606    H    LEU  80           HN       LEU  80   3.408   2.000 -10.032
  607    HA   LEU  80           HA       LEU  80   1.046   2.737 -11.362
  608    HB2  LEU  80           2HB      LEU  80   3.207   4.096 -10.700
  609    HB3  LEU  80           1HB      LEU  80   3.710   3.685 -12.325
  610    HG   LEU  80           HG       LEU  80   1.658   4.754 -13.212
  611   HD11  LEU  80          1HD1      LEU  80   0.330   6.182 -11.747
  612   HD12  LEU  80          2HD1      LEU  80   1.255   5.622 -10.354
  613   HD13  LEU  80          3HD1      LEU  80   0.237   4.493 -11.248
  614   HD21  LEU  80          3HD2      LEU  80   2.356   7.070 -12.775
  615   HD22  LEU  80          1HD2      LEU  80   3.722   6.014 -13.138
  616   HD23  LEU  80          2HD2      LEU  80   3.396   6.493 -11.472
  617    H    ALA  81           HN       ALA  81   4.089   1.422 -12.580
  618    HA   ALA  81           HA       ALA  81   3.311   1.112 -15.262
  619    HB1  ALA  81           1HB      ALA  81   5.300  -0.518 -13.686
  620    HB2  ALA  81           2HB      ALA  81   5.639   0.981 -14.552
  621    HB3  ALA  81           3HB      ALA  81   5.169  -0.466 -15.444
  622    H    ALA  82           HN       ALA  82   2.836  -0.964 -12.463
  623    HA   ALA  82           HA       ALA  82   1.843  -3.207 -13.856
  624    HB1  ALA  82           1HB      ALA  82   2.506  -3.316 -11.501
  625    HB2  ALA  82           2HB      ALA  82   0.851  -3.878 -11.726
  626    HB3  ALA  82           3HB      ALA  82   1.152  -2.271 -11.069
  627    H    ALA  83           HN       ALA  83   0.269  -0.342 -12.502
  628    HA   ALA  83           HA       ALA  83  -2.363  -1.025 -13.293
  629    HB1  ALA  83           1HB      ALA  83  -1.183   1.707 -12.786
  630    HB2  ALA  83           2HB      ALA  83  -1.896   0.650 -11.568
  631    HB3  ALA  83           3HB      ALA  83  -2.901   1.316 -12.855
  632    H    GLN  84           HN       GLN  84   0.233   0.815 -14.837
  633    HA   GLN  84           HA       GLN  84  -1.093   1.660 -17.139
  634    HB2  GLN  84           2HB      GLN  84   1.774   0.837 -16.685
  635    HB3  GLN  84           1HB      GLN  84   1.209   1.526 -18.191
  636    HG2  GLN  84           2HG      GLN  84   0.862   2.935 -15.574
  637    HG3  GLN  84           1HG      GLN  84   2.338   3.076 -16.532
  638   HE21  GLN  84          1HE2      GLN  84  -1.053   3.822 -16.365
  639   HE22  GLN  84          2HE2      GLN  84  -1.055   4.990 -17.637
  640    H    SER  85           HN       SER  85   0.783  -1.309 -16.570
  641    HA   SER  85           HA       SER  85   0.338  -2.549 -19.028
  642    HB2  SER  85           2HB      SER  85   0.613  -3.880 -16.324
  643    HB3  SER  85           1HB      SER  85   0.890  -4.646 -17.886
  644    HG   SER  85           HG       SER  85   2.398  -2.519 -17.902
  645    H    ARG  86           HN       ARG  86  -1.660  -2.539 -16.121
  646    HA   ARG  86           HA       ARG  86  -3.551  -4.423 -17.181
  647    HB2  ARG  86           2HB      ARG  86  -3.545  -2.668 -14.735
  648    HB3  ARG  86           1HB      ARG  86  -4.904  -3.697 -15.159
  649    HG2  ARG  86           2HG      ARG  86  -2.102  -4.569 -14.516
  650    HG3  ARG  86           1HG      ARG  86  -3.551  -4.818 -13.541
  651    HD2  ARG  86           2HD      ARG  86  -4.471  -6.084 -15.563
  652    HD3  ARG  86           1HD      ARG  86  -2.813  -6.085 -16.158
  653    HE   ARG  86           HE       ARG  86  -3.368  -7.157 -13.490
  654   HH11  ARG  86          1HH1      ARG  86  -2.279  -7.633 -16.787
  655   HH12  ARG  86          2HH1      ARG  86  -1.804  -9.280 -16.518
  656   HH21  ARG  86          1HH2      ARG  86  -2.738  -9.299 -13.130
  657   HH22  ARG  86          2HH2      ARG  86  -2.056 -10.238 -14.429
  658    H    GLY  87           HN       GLY  87  -3.015  -1.135 -17.670
  659    HA2  GLY  87           2HA      GLY  87  -4.230   0.479 -18.776
  660    HA3  GLY  87           1HA      GLY  87  -5.388  -0.777 -19.189
  661    H    ASP  88           HN       ASP  88  -4.498  -0.014 -15.924
  662    HA   ASP  88           HA       ASP  88  -7.291   0.686 -15.395
  663    HB2  ASP  88           2HB      ASP  88  -6.106  -1.201 -14.114
  664    HB3  ASP  88           1HB      ASP  88  -5.211   0.078 -13.298
  665    H    GLN  89           HN       GLN  89  -7.109   2.782 -16.161
  666    HA   GLN  89           HA       GLN  89  -5.203   4.650 -15.350
  667    HB2  GLN  89           2HB      GLN  89  -7.960   4.856 -16.505
  668    HB3  GLN  89           1HB      GLN  89  -7.016   6.283 -16.119
  669    HG2  GLN  89           2HG      GLN  89  -6.055   4.080 -17.913
  670    HG3  GLN  89           1HG      GLN  89  -6.865   5.532 -18.489
  671   HE21  GLN  89          1HE2      GLN  89  -4.112   4.479 -18.909
  672   HE22  GLN  89          2HE2      GLN  89  -3.062   5.778 -18.434
  673    H    GLN  90           HN       GLN  90  -8.223   3.665 -13.886
  674    HA   GLN  90           HA       GLN  90  -8.590   5.782 -12.106
  675    HB2  GLN  90           2HB      GLN  90 -10.222   3.927 -12.436
  676    HB3  GLN  90           1HB      GLN  90  -9.146   2.864 -11.534
  677    HG2  GLN  90           2HG      GLN  90  -9.350   4.412  -9.595
  678    HG3  GLN  90           1HG      GLN  90 -10.564   5.309 -10.504
  679   HE21  GLN  90          1HE2      GLN  90 -12.572   4.366 -10.895
  680   HE22  GLN  90          2HE2      GLN  90 -13.141   3.015  -9.962
  681    H    VAL  91           HN       VAL  91  -6.698   2.792 -11.696
  682    HA   VAL  91           HA       VAL  91  -5.806   3.446  -9.074
  683    HB   VAL  91           HB       VAL  91  -4.715   1.476 -11.092
  684   HG11  VAL  91          1HG1      VAL  91  -2.924   2.150  -9.556
  685   HG12  VAL  91          2HG1      VAL  91  -3.449   0.496  -9.229
  686   HG13  VAL  91          3HG1      VAL  91  -3.975   1.812  -8.181
  687   HG21  VAL  91          3HG2      VAL  91  -6.357   1.106  -8.586
  688   HG22  VAL  91          1HG2      VAL  91  -5.786  -0.182  -9.648
  689   HG23  VAL  91          2HG2      VAL  91  -6.961   0.994 -10.240
  690    H    VAL  92           HN       VAL  92  -4.472   3.950 -12.295
  691    HA   VAL  92           HA       VAL  92  -1.930   4.870 -11.590
  692    HB   VAL  92           HB       VAL  92  -3.670   5.767 -13.901
  693   HG11  VAL  92          1HG1      VAL  92  -0.697   6.094 -13.502
  694   HG12  VAL  92          2HG1      VAL  92  -1.905   7.380 -13.489
  695   HG13  VAL  92          3HG1      VAL  92  -1.589   6.483 -14.974
  696   HG21  VAL  92          3HG2      VAL  92  -2.364   4.176 -15.224
  697   HG22  VAL  92          1HG2      VAL  92  -3.258   3.382 -13.930
  698   HG23  VAL  92          2HG2      VAL  92  -1.524   3.656 -13.762
  699    H    LYS  93           HN       LYS  93  -4.961   6.674 -12.035
  700    HA   LYS  93           HA       LYS  93  -3.831   9.181 -11.379
  701    HB2  LYS  93           2HB      LYS  93  -6.701   8.249 -11.443
  702    HB3  LYS  93           1HB      LYS  93  -6.226   9.916 -11.135
  703    HG2  LYS  93           2HG      LYS  93  -5.069   9.957 -13.313
  704    HG3  LYS  93           1HG      LYS  93  -5.650   8.323 -13.625
  705    HD2  LYS  93           2HD      LYS  93  -7.429  10.698 -13.098
  706    HD3  LYS  93           1HD      LYS  93  -7.008  10.106 -14.705
  707    HE2  LYS  93           2HE      LYS  93  -8.010   7.922 -14.112
  708    HE3  LYS  93           1HE      LYS  93  -8.504   8.602 -12.560
  709    HZ1  LYS  93           3HZ      LYS  93  -9.852  10.227 -13.737
  710    HZ2  LYS  93           1HZ      LYS  93 -10.304   8.651 -14.178
  711    HZ3  LYS  93           2HZ      LYS  93  -9.364   9.588 -15.233
  712    H    GLU  94           HN       GLU  94  -5.336   6.669  -9.394
  713    HA   GLU  94           HA       GLU  94  -5.573   8.131  -7.013
  714    HB2  GLU  94           2HB      GLU  94  -5.077   5.214  -7.561
  715    HB3  GLU  94           1HB      GLU  94  -5.367   5.854  -5.953
  716    HG2  GLU  94           2HG      GLU  94  -7.279   6.294  -8.207
  717    HG3  GLU  94           1HG      GLU  94  -7.330   4.863  -7.194
  718    H    LEU  95           HN       LEU  95  -2.950   6.048  -8.194
  719    HA   LEU  95           HA       LEU  95  -1.232   6.582  -5.998
  720    HB2  LEU  95           2HB      LEU  95  -0.735   5.435  -8.735
  721    HB3  LEU  95           1HB      LEU  95   0.527   5.594  -7.527
  722    HG   LEU  95           HG       LEU  95  -1.986   3.931  -7.233
  723   HD11  LEU  95          1HD1      LEU  95   0.894   3.097  -7.585
  724   HD12  LEU  95          2HD1      LEU  95  -0.353   3.006  -8.827
  725   HD13  LEU  95          3HD1      LEU  95  -0.490   2.024  -7.370
  726   HD21  LEU  95          3HD2      LEU  95  -0.888   3.118  -5.180
  727   HD22  LEU  95          1HD2      LEU  95  -1.293   4.831  -5.101
  728   HD23  LEU  95          2HD2      LEU  95   0.371   4.332  -5.396
  729    H    GLN  96           HN       GLN  96  -1.727   8.052  -9.116
  730    HA   GLN  96           HA       GLN  96   0.531   9.666  -9.323
  731    HB2  GLN  96           2HB      GLN  96  -1.060   9.406 -11.138
  732    HB3  GLN  96           1HB      GLN  96  -2.312  10.201 -10.197
  733    HG2  GLN  96           2HG      GLN  96  -1.041  12.283 -10.255
  734    HG3  GLN  96           1HG      GLN  96   0.223  11.481 -11.189
  735   HE21  GLN  96          1HE2      GLN  96  -0.125  11.006 -13.339
  736   HE22  GLN  96          2HE2      GLN  96  -1.453  11.664 -14.234
  737    H    VAL  97           HN       VAL  97  -2.468  10.177  -7.514
  738    HA   VAL  97           HA       VAL  97  -2.003  12.829  -6.712
  739    HB   VAL  97           HB       VAL  97  -3.460  10.642  -5.208
  740   HG11  VAL  97          1HG1      VAL  97  -2.855  12.518  -3.752
  741   HG12  VAL  97          2HG1      VAL  97  -4.597  12.434  -4.021
  742   HG13  VAL  97          3HG1      VAL  97  -3.631  13.636  -4.877
  743   HG21  VAL  97          3HG2      VAL  97  -4.401  11.016  -7.412
  744   HG22  VAL  97          1HG2      VAL  97  -4.482  12.750  -7.106
  745   HG23  VAL  97          2HG2      VAL  97  -5.484  11.642  -6.170
  746    H    PHE  98           HN       PHE  98  -1.075   9.752  -5.215
  747    HA   PHE  98           HA       PHE  98   0.123  10.907  -2.924
  748    HB2  PHE  98           2HB      PHE  98   0.572   8.204  -4.198
  749    HB3  PHE  98           1HB      PHE  98   1.165   8.675  -2.609
  750    HD1  PHE  98           1HD      PHE  98  -0.733   9.652  -1.020
  751    HD2  PHE  98           2HD      PHE  98  -1.387   7.008  -4.285
  752    HE1  PHE  98           1HE      PHE  98  -2.855   8.928  -0.004
  753    HE2  PHE  98           2HE      PHE  98  -3.505   6.275  -3.276
  754    HZ   PHE  98           HZ       PHE  98  -4.243   7.236  -1.135
  755    H    LEU  99           HN       LEU  99   1.287  10.171  -6.134
  756    HA   LEU  99           HA       LEU  99   4.051  10.463  -5.659
  757    HB2  LEU  99           2HB      LEU  99   2.403  10.970  -8.133
  758    HB3  LEU  99           1HB      LEU  99   4.155  11.034  -8.110
  759    HG   LEU  99           HG       LEU  99   2.518   8.590  -7.431
  760   HD11  LEU  99          1HD1      LEU  99   4.080   9.244  -9.926
  761   HD12  LEU  99          2HD1      LEU  99   2.322   9.189  -9.796
  762   HD13  LEU  99          3HD1      LEU  99   3.271   7.718  -9.577
  763   HD21  LEU  99          3HD2      LEU  99   4.662   8.642  -6.290
  764   HD22  LEU  99          1HD2      LEU  99   5.483   8.982  -7.814
  765   HD23  LEU  99          2HD2      LEU  99   4.676   7.431  -7.574
  766    H    ARG 100           HN       ARG 100   1.512  12.802  -6.383
  767    HA   ARG 100           HA       ARG 100   3.148  15.084  -6.701
  768    HB2  ARG 100           2HB      ARG 100   0.382  15.015  -5.498
  769    HB3  ARG 100           1HB      ARG 100   1.148  16.350  -6.336
  770    HG2  ARG 100           2HG      ARG 100   0.526  13.749  -7.664
  771    HG3  ARG 100           1HG      ARG 100  -0.607  15.088  -7.579
  772    HD2  ARG 100           2HD      ARG 100   1.186  16.520  -8.645
  773    HD3  ARG 100           1HD      ARG 100   2.100  15.036  -8.901
  774    HE   ARG 100           HE       ARG 100  -0.589  15.464 -10.054
  775   HH11  ARG 100          1HH1      ARG 100   2.760  14.449 -10.361
  776   HH12  ARG 100          2HH1      ARG 100   2.588  13.970 -12.022
  777   HH21  ARG 100          1HH2      ARG 100  -0.792  14.853 -12.238
  778   HH22  ARG 100          2HH2      ARG 100   0.581  14.200 -13.084
  779    H    ARG 101           HN       ARG 101   1.302  13.837  -3.990
  780    HA   ARG 101           HA       ARG 101   2.146  15.590  -2.003
  781    HB2  ARG 101           2HB      ARG 101   1.506  12.651  -1.700
  782    HB3  ARG 101           1HB      ARG 101   1.581  13.814  -0.384
  783    HG2  ARG 101           2HG      ARG 101  -0.267  15.071  -1.438
  784    HG3  ARG 101           1HG      ARG 101  -0.376  13.814  -2.673
  785    HD2  ARG 101           2HD      ARG 101  -0.763  12.155  -0.867
  786    HD3  ARG 101           1HD      ARG 101  -0.797  13.481   0.292
  787    HE   ARG 101           HE       ARG 101  -2.665  14.066  -1.688
  788   HH11  ARG 101          1HH1      ARG 101  -2.145  11.745   0.890
  789   HH12  ARG 101          2HH1      ARG 101  -3.833  11.338   1.039
  790   HH21  ARG 101          1HH2      ARG 101  -4.881  13.554  -1.481
  791   HH22  ARG 101          2HH2      ARG 101  -5.387  12.367  -0.314
  792    H    LEU 102           HN       LEU 102   3.695  12.602  -3.124
  793    HA   LEU 102           HA       LEU 102   5.750  12.487  -1.222
  794    HB2  LEU 102           2HB      LEU 102   5.053  10.709  -2.871
  795    HB3  LEU 102           1HB      LEU 102   5.914  11.602  -4.104
  796    HG   LEU 102           HG       LEU 102   7.092   9.596  -3.096
  797   HD11  LEU 102          1HD1      LEU 102   8.488  12.262  -3.016
  798   HD12  LEU 102          2HD1      LEU 102   8.310  11.206  -4.420
  799   HD13  LEU 102          3HD1      LEU 102   9.292  10.692  -3.046
  800   HD21  LEU 102          3HD2      LEU 102   8.253   9.936  -0.975
  801   HD22  LEU 102          1HD2      LEU 102   6.503   9.990  -0.768
  802   HD23  LEU 102          2HD2      LEU 102   7.436  11.487  -0.776
  803    H    ALA 103           HN       ALA 103   5.580  14.094  -4.374
  804    HA   ALA 103           HA       ALA 103   8.234  15.008  -4.461
  805    HB1  ALA 103           1HB      ALA 103   6.773  14.975  -6.416
  806    HB2  ALA 103           2HB      ALA 103   7.455  16.581  -6.155
  807    HB3  ALA 103           3HB      ALA 103   5.786  16.247  -5.702
  808    H    ARG 104           HN       ARG 104   5.374  16.316  -2.919
  809    HA   ARG 104           HA       ARG 104   6.524  18.841  -2.282
  810    HB2  ARG 104           2HB      ARG 104   4.211  17.358  -1.021
  811    HB3  ARG 104           1HB      ARG 104   4.647  19.023  -0.658
  812    HG2  ARG 104           2HG      ARG 104   4.311  19.572  -3.051
  813    HG3  ARG 104           1HG      ARG 104   3.725  17.926  -3.299
  814    HD2  ARG 104           2HD      ARG 104   1.919  18.316  -1.724
  815    HD3  ARG 104           1HD      ARG 104   2.524  19.941  -1.402
  816    HE   ARG 104           HE       ARG 104   1.364  19.025  -3.958
  817   HH11  ARG 104          1HH1      ARG 104   2.254  21.586  -1.742
  818   HH12  ARG 104          2HH1      ARG 104   1.494  22.837  -2.678
  819   HH21  ARG 104          1HH2      ARG 104   0.354  20.649  -5.179
  820   HH22  ARG 104          2HH2      ARG 104   0.406  22.300  -4.644
  821    H    GLU 105           HN       GLU 105   6.251  15.761  -0.556
  822    HA   GLU 105           HA       GLU 105   7.495  16.582   1.827
  823    HB2  GLU 105           2HB      GLU 105   7.379  13.859   0.520
  824    HB3  GLU 105           1HB      GLU 105   7.828  14.167   2.182
  825    HG2  GLU 105           2HG      GLU 105   5.145  14.711   0.948
  826    HG3  GLU 105           1HG      GLU 105   5.544  13.379   2.028
  827    H    ASP 106           HN       ASP 106   8.709  15.205  -1.188
  828    HA   ASP 106           HA       ASP 106  11.421  14.961  -0.609
  829    HB2  ASP 106           2HB      ASP 106  10.620  14.143  -2.689
  830    HB3  ASP 106           1HB      ASP 106   9.941  15.694  -3.135
  831    H    ALA 107           HN       ALA 107   9.635  17.702  -1.870
  832    HA   ALA 107           HA       ALA 107  11.702  19.510  -2.238
  833    HB1  ALA 107           1HB      ALA 107  10.029  21.248  -2.244
  834    HB2  ALA 107           2HB      ALA 107   8.886  20.195  -1.411
  835    HB3  ALA 107           3HB      ALA 107   9.396  19.817  -3.057
  836    H    LEU 108           HN       LEU 108  10.136  18.573   0.741
  837    HA   LEU 108           HA       LEU 108  10.812  20.792   2.318
  838    HB2  LEU 108           2HB      LEU 108  10.421  17.904   3.102
  839    HB3  LEU 108           1HB      LEU 108  10.489  19.244   4.220
  840    HG   LEU 108           HG       LEU 108   8.405  18.869   2.097
  841   HD11  LEU 108          1HD1      LEU 108   8.171  17.240   3.873
  842   HD12  LEU 108          2HD1      LEU 108   6.887  18.443   3.969
  843   HD13  LEU 108          3HD1      LEU 108   8.253  18.521   5.081
  844   HD21  LEU 108          3HD2      LEU 108   8.848  21.220   2.556
  845   HD22  LEU 108          1HD2      LEU 108   8.626  20.930   4.281
  846   HD23  LEU 108          2HD2      LEU 108   7.266  20.739   3.172
  847    H    GLU 109           HN       GLU 109  12.749  18.232   1.084
  848    HA   GLU 109           HA       GLU 109  15.020  19.210   2.686
  849    HB2  GLU 109           2HB      GLU 109  14.747  16.400   1.618
  850    HB3  GLU 109           1HB      GLU 109  15.964  17.008   2.732
  851    HG2  GLU 109           2HG      GLU 109  14.141  17.402   4.382
  852    HG3  GLU 109           1HG      GLU 109  13.040  16.587   3.275
  853    H    HIS 110           HN       HIS 110  13.787  19.667  -0.114
  854    HA   HIS 110           HA       HIS 110  16.239  19.222  -1.684
  855    HB2  HIS 110           2HB      HIS 110  14.266  17.461  -1.890
  856    HB3  HIS 110           1HB      HIS 110  13.562  18.696  -2.920
  857    HD1  HIS 110           1HD      HIS 110  14.206  16.002  -4.087
  858    HD2  HIS 110           2HD      HIS 110  16.886  19.188  -4.092
  859    HE1  HIS 110           1HE      HIS 110  15.804  15.544  -5.976
  860    HE2  HIS 110           2HE      HIS 110  17.277  17.586  -6.092
  861    H    HIS 111           HN       HIS 111  14.409  21.480  -0.478
  862    HA   HIS 111           HA       HIS 111  13.402  22.848  -2.786
  863    HB2  HIS 111           2HB      HIS 111  12.589  22.917  -0.286
  864    HB3  HIS 111           1HB      HIS 111  13.771  24.218  -0.150
  865    HD1  HIS 111           1HD      HIS 111  10.327  23.733  -0.776
  866    HD2  HIS 111           2HD      HIS 111  13.245  26.213  -2.401
  867    HE1  HIS 111           1HE      HIS 111   9.082  25.572  -1.940
  868    HE2  HIS 111           2HE      HIS 111  10.858  26.892  -3.142
  869    H    HIS 112           HN       HIS 112  15.856  23.843  -0.366
  870    HA   HIS 112           HA       HIS 112  17.081  25.443  -2.514
  871    HB2  HIS 112           2HB      HIS 112  18.025  26.910  -0.790
  872    HB3  HIS 112           1HB      HIS 112  16.273  26.865  -0.713
  873    HD1  HIS 112           1HD      HIS 112  19.247  26.528   1.344
  874    HD2  HIS 112           2HD      HIS 112  15.299  25.219   1.507
  875    HE1  HIS 112           1HE      HIS 112  18.839  25.881   3.743
  876    HE2  HIS 112           2HE      HIS 112  16.376  25.346   3.853
  877    H    HIS 113           HN       HIS 113  17.408  22.607  -1.185
  878    HA   HIS 113           HA       HIS 113  20.348  22.663  -1.348
  879    HB2  HIS 113           2HB      HIS 113  18.752  21.558   0.656
  880    HB3  HIS 113           1HB      HIS 113  19.194  20.174  -0.340
  881    HD1  HIS 113           1HD      HIS 113  20.338  22.044   2.460
  882    HD2  HIS 113           2HD      HIS 113  22.198  20.168  -0.753
  883    HE1  HIS 113           1HE      HIS 113  22.736  21.729   3.152
  884    HE2  HIS 113           2HE      HIS 113  23.790  20.418   1.278
  885    H    HIS 114           HN       HIS 114  20.871  22.202  -3.397
  886    HA   HIS 114           HA       HIS 114  19.064  20.507  -4.957
  887    HB2  HIS 114           2HB      HIS 114  20.091  22.866  -5.629
  888    HB3  HIS 114           1HB      HIS 114  21.421  21.856  -6.189
  889    HD1  HIS 114           1HD      HIS 114  20.776  22.644  -8.648
  890    HD2  HIS 114           2HD      HIS 114  17.901  20.356  -6.689
  891    HE1  HIS 114           1HE      HIS 114  19.160  21.902 -10.429
  892    HE2  HIS 114           2HE      HIS 114  17.347  20.659  -9.194
  893    H    HIS 115           HN       HIS 115  21.764  20.175  -3.134
  894    HA   HIS 115           HA       HIS 115  22.798  17.917  -4.712
  895    HB2  HIS 115           2HB      HIS 115  24.102  19.587  -2.551
  896    HB3  HIS 115           1HB      HIS 115  24.787  18.074  -3.135
  897    HD1  HIS 115           1HD      HIS 115  26.171  18.171  -5.211
  898    HD2  HIS 115           2HD      HIS 115  24.002  21.665  -4.578
  899    HE1  HIS 115           1HE      HIS 115  27.004  19.809  -6.930
  900    HE2  HIS 115           2HE      HIS 115  25.732  21.942  -6.487
  Start of MODEL   20
    1    H1   MET   1           H1       MET   1 -11.759 -11.243  21.010
    2    H2   MET   1           H2       MET   1 -12.620 -12.705  21.056
    3    H3   MET   1           H3       MET   1 -13.400 -11.250  21.439
    4    HA   MET   1           HA       MET   1 -12.266 -11.946  18.799
    5    HB2  MET   1           2HB      MET   1 -15.119 -11.909  19.796
    6    HB3  MET   1           1HB      MET   1 -14.692 -11.941  18.090
    7    HG2  MET   1           2HG      MET   1 -13.458 -14.063  18.519
    8    HG3  MET   1           1HG      MET   1 -14.095 -14.038  20.163
    9    HE1  MET   1           2HE      MET   1 -17.032 -12.809  19.598
   10    HE2  MET   1           3HE      MET   1 -16.728 -14.139  20.716
   11    HE3  MET   1           1HE      MET   1 -17.973 -14.296  19.476
   12    H    GLN   2           HN       GLN   2 -11.422  -9.670  19.957
   13    HA   GLN   2           HA       GLN   2 -13.124  -7.529  18.898
   14    HB2  GLN   2           2HB      GLN   2 -12.303  -7.124  21.121
   15    HB3  GLN   2           1HB      GLN   2 -10.660  -7.478  20.631
   16    HG2  GLN   2           2HG      GLN   2 -10.928  -5.113  20.916
   17    HG3  GLN   2           1HG      GLN   2 -10.667  -5.474  19.213
   18   HE21  GLN   2          1HE2      GLN   2 -11.854  -3.149  20.465
   19   HE22  GLN   2          2HE2      GLN   2 -13.459  -3.008  19.812
   20    H    ALA   3           HN       ALA   3 -12.413  -6.137  17.362
   21    HA   ALA   3           HA       ALA   3 -11.454  -5.494  15.412
   22    HB1  ALA   3           1HB      ALA   3  -9.031  -5.603  15.219
   23    HB2  ALA   3           2HB      ALA   3  -8.959  -6.707  16.594
   24    HB3  ALA   3           3HB      ALA   3  -9.511  -5.047  16.823
   25    H    ILE   4           HN       ILE   4 -10.335  -6.247  13.470
   26    HA   ILE   4           HA       ILE   4 -11.366  -8.694  12.516
   27    HB   ILE   4           HB       ILE   4  -9.257  -6.816  11.466
   28   HG12  ILE   4          2HG1      ILE   4 -12.127  -7.309  10.647
   29   HG13  ILE   4          1HG1      ILE   4 -11.532  -5.931  11.570
   30   HG21  ILE   4          1HG2      ILE   4 -10.469  -9.186  10.037
   31   HG22  ILE   4          2HG2      ILE   4  -8.786  -9.019  10.542
   32   HG23  ILE   4          3HG2      ILE   4  -9.444  -7.957   9.296
   33   HD11  ILE   4          3HD1      ILE   4 -10.768  -6.606   8.737
   34   HD12  ILE   4          1HD1      ILE   4 -10.222  -5.204   9.656
   35   HD13  ILE   4          2HD1      ILE   4 -11.924  -5.370   9.231
   36    H    THR   5           HN       THR   5  -8.515  -7.885  14.248
   37    HA   THR   5           HA       THR   5  -6.721  -9.819  13.337
   38    HB   THR   5           HB       THR   5  -6.871  -8.726  16.146
   39    HG1  THR   5           1HG      THR   5  -5.952  -7.585  13.718
   40   HG21  THR   5          3HG2      THR   5  -4.443  -9.004  16.107
   41   HG22  THR   5          1HG2      THR   5  -4.534  -9.657  14.471
   42   HG23  THR   5          2HG2      THR   5  -5.253 -10.545  15.816
   43    H    GLU   6           HN       GLU   6  -8.960  -9.994  16.159
   44    HA   GLU   6           HA       GLU   6  -7.938 -12.521  16.951
   45    HB2  GLU   6           2HB      GLU   6 -10.457 -11.080  17.767
   46    HB3  GLU   6           1HB      GLU   6  -9.910 -12.586  18.485
   47    HG2  GLU   6           2HG      GLU   6  -7.707 -11.259  18.895
   48    HG3  GLU   6           1HG      GLU   6  -8.754  -9.853  18.704
   49    H    ARG   7           HN       ARG   7 -10.779 -11.583  15.041
   50    HA   ARG   7           HA       ARG   7 -11.887 -14.183  14.943
   51    HB2  ARG   7           2HB      ARG   7 -13.097 -13.376  12.893
   52    HB3  ARG   7           1HB      ARG   7 -13.326 -12.385  14.326
   53    HG2  ARG   7           2HG      ARG   7 -12.055 -10.645  13.476
   54    HG3  ARG   7           1HG      ARG   7 -11.240 -11.682  12.303
   55    HD2  ARG   7           2HD      ARG   7 -14.179 -11.011  12.216
   56    HD3  ARG   7           1HD      ARG   7 -12.939 -10.138  11.317
   57    HE   ARG   7           HE       ARG   7 -13.248 -13.038  10.939
   58   HH11  ARG   7          1HH1      ARG   7 -13.537  -9.782   9.654
   59   HH12  ARG   7          2HH1      ARG   7 -13.525 -10.309   7.994
   60   HH21  ARG   7          1HH2      ARG   7 -13.247 -13.715   8.765
   61   HH22  ARG   7          2HH2      ARG   7 -13.378 -12.542   7.491
   62    H    LEU   8           HN       LEU   8  -9.499 -12.522  12.940
   63    HA   LEU   8           HA       LEU   8  -9.222 -14.571  11.013
   64    HB2  LEU   8           2HB      LEU   8  -7.687 -12.180  11.840
   65    HB3  LEU   8           1HB      LEU   8  -6.802 -13.415  10.967
   66    HG   LEU   8           HG       LEU   8  -7.714 -11.576   9.543
   67   HD11  LEU   8          1HD1      LEU   8  -8.713 -14.359   8.980
   68   HD12  LEU   8          2HD1      LEU   8  -7.123 -13.712   8.576
   69   HD13  LEU   8          3HD1      LEU   8  -8.563 -13.066   7.792
   70   HD21  LEU   8          3HD2      LEU   8 -10.083 -11.589   8.985
   71   HD22  LEU   8          1HD2      LEU   8  -9.841 -11.237  10.697
   72   HD23  LEU   8          2HD2      LEU   8 -10.372 -12.842  10.192
   73    H    GLU   9           HN       GLU   9  -7.539 -13.903  14.063
   74    HA   GLU   9           HA       GLU   9  -5.616 -15.907  13.948
   75    HB2  GLU   9           2HB      GLU   9  -7.114 -14.836  16.346
   76    HB3  GLU   9           1HB      GLU   9  -5.704 -15.876  16.451
   77    HG2  GLU   9           2HG      GLU   9  -5.764 -13.145  15.193
   78    HG3  GLU   9           1HG      GLU   9  -5.156 -13.523  16.803
   79    H    ALA  10           HN       ALA  10  -8.954 -16.061  15.089
   80    HA   ALA  10           HA       ALA  10  -8.845 -18.746  15.971
   81    HB1  ALA  10           1HB      ALA  10 -11.290 -18.610  16.049
   82    HB2  ALA  10           2HB      ALA  10 -11.231 -17.089  15.158
   83    HB3  ALA  10           3HB      ALA  10 -10.536 -17.191  16.776
   84    H    MET  11           HN       MET  11 -10.024 -17.280  12.933
   85    HA   MET  11           HA       MET  11 -10.972 -19.756  11.908
   86    HB2  MET  11           2HB      MET  11 -11.376 -18.559   9.853
   87    HB3  MET  11           1HB      MET  11 -11.896 -17.585  11.209
   88    HG2  MET  11           2HG      MET  11  -9.802 -16.290  11.034
   89    HG3  MET  11           1HG      MET  11  -9.379 -17.229   9.603
   90    HE1  MET  11           3HE      MET  11 -12.226 -16.209   7.104
   91    HE2  MET  11           1HE      MET  11 -12.202 -17.591   8.199
   92    HE3  MET  11           2HE      MET  11 -10.744 -17.144   7.314
   93    H    LEU  12           HN       LEU  12  -7.932 -18.021  11.656
   94    HA   LEU  12           HA       LEU  12  -6.787 -19.493   9.556
   95    HB2  LEU  12           2HB      LEU  12  -5.829 -17.421  10.497
   96    HB3  LEU  12           1HB      LEU  12  -5.419 -18.288  11.963
   97    HG   LEU  12           HG       LEU  12  -3.904 -19.745  10.629
   98   HD11  LEU  12          1HD1      LEU  12  -3.288 -19.070   8.371
   99   HD12  LEU  12          2HD1      LEU  12  -4.503 -17.794   8.410
  100   HD13  LEU  12          3HD1      LEU  12  -4.999 -19.486   8.457
  101   HD21  LEU  12          3HD2      LEU  12  -3.036 -17.818  11.840
  102   HD22  LEU  12          1HD2      LEU  12  -3.360 -16.787  10.448
  103   HD23  LEU  12          2HD2      LEU  12  -2.154 -18.066  10.334
  104    H    ALA  13           HN       ALA  13  -6.839 -20.047  13.045
  105    HA   ALA  13           HA       ALA  13  -5.219 -22.376  13.002
  106    HB1  ALA  13           1HB      ALA  13  -7.217 -21.502  15.084
  107    HB2  ALA  13           2HB      ALA  13  -5.529 -20.999  15.005
  108    HB3  ALA  13           3HB      ALA  13  -5.931 -22.690  15.306
  109    H    GLN  14           HN       GLN  14  -8.572 -21.831  12.324
  110    HA   GLN  14           HA       GLN  14  -9.371 -24.561  12.766
  111    HB2  GLN  14           2HB      GLN  14 -10.727 -22.207  11.467
  112    HB3  GLN  14           1HB      GLN  14 -11.442 -23.813  11.466
  113    HG2  GLN  14           2HG      GLN  14 -10.712 -22.217  13.911
  114    HG3  GLN  14           1HG      GLN  14 -12.333 -22.412  13.254
  115   HE21  GLN  14          1HE2      GLN  14  -9.751 -23.908  15.011
  116   HE22  GLN  14          2HE2      GLN  14 -10.631 -25.308  15.522
  117    H    GLY  15           HN       GLY  15  -7.604 -23.012  10.386
  118    HA2  GLY  15           2HA      GLY  15  -6.541 -24.410   8.733
  119    HA3  GLY  15           1HA      GLY  15  -8.045 -25.304   8.585
  120    H    THR  16           HN       THR  16  -8.072 -21.823   8.719
  121    HA   THR  16           HA       THR  16  -8.760 -21.809   5.864
  122    HB   THR  16           HB       THR  16  -9.470 -19.666   7.870
  123    HG1  THR  16           1HG      THR  16 -10.650 -22.123   7.318
  124   HG21  THR  16          3HG2      THR  16 -11.107 -19.008   6.157
  125   HG22  THR  16          1HG2      THR  16 -10.519 -20.293   5.103
  126   HG23  THR  16          2HG2      THR  16  -9.463 -18.945   5.527
  127    H    ASP  17           HN       ASP  17  -6.446 -21.790   5.406
  128    HA   ASP  17           HA       ASP  17  -5.120 -19.236   5.884
  129    HB2  ASP  17           2HB      ASP  17  -3.777 -21.314   6.025
  130    HB3  ASP  17           1HB      ASP  17  -4.141 -21.648   4.335
  131    H    ASN  18           HN       ASN  18  -6.255 -17.763   4.725
  132    HA   ASN  18           HA       ASN  18  -7.088 -18.357   2.016
  133    HB2  ASN  18           2HB      ASN  18  -8.389 -17.047   3.847
  134    HB3  ASN  18           1HB      ASN  18  -7.408 -15.683   3.342
  135   HD21  ASN  18          1HD2      ASN  18 -10.279 -16.066   3.185
  136   HD22  ASN  18          2HD2      ASN  18 -10.697 -15.900   1.511
  137    H    MET  19           HN       MET  19  -6.814 -16.499   0.432
  138    HA   MET  19           HA       MET  19  -3.987 -16.296  -0.062
  139    HB2  MET  19           2HB      MET  19  -5.752 -16.744  -1.797
  140    HB3  MET  19           1HB      MET  19  -6.266 -15.073  -1.623
  141    HG2  MET  19           2HG      MET  19  -4.179 -14.274  -2.451
  142    HG3  MET  19           1HG      MET  19  -3.495 -15.898  -2.435
  143    HE1  MET  19           3HE      MET  19  -3.241 -14.122  -4.974
  144    HE2  MET  19           1HE      MET  19  -3.721 -15.233  -6.257
  145    HE3  MET  19           2HE      MET  19  -2.706 -15.800  -4.931
  146    H    LEU  20           HN       LEU  20  -6.623 -13.938   0.374
  147    HA   LEU  20           HA       LEU  20  -4.730 -11.764   0.632
  148    HB2  LEU  20           2HB      LEU  20  -6.567 -10.295   0.678
  149    HB3  LEU  20           1HB      LEU  20  -6.978 -11.530  -0.490
  150    HG   LEU  20           HG       LEU  20  -8.004 -11.559   2.346
  151   HD11  LEU  20          1HD1      LEU  20  -8.698  -9.490   1.230
  152   HD12  LEU  20          2HD1      LEU  20 -10.058 -10.582   1.493
  153   HD13  LEU  20          3HD1      LEU  20  -9.343 -10.438  -0.111
  154   HD21  LEU  20          3HD2      LEU  20  -9.779 -12.968   1.315
  155   HD22  LEU  20          1HD2      LEU  20  -8.175 -13.701   1.287
  156   HD23  LEU  20          2HD2      LEU  20  -8.839 -12.978  -0.178
  157    H    LEU  21           HN       LEU  21  -5.106 -14.090   2.608
  158    HA   LEU  21           HA       LEU  21  -6.097 -13.215   5.061
  159    HB2  LEU  21           2HB      LEU  21  -5.059 -15.517   4.177
  160    HB3  LEU  21           1HB      LEU  21  -3.636 -14.903   4.986
  161    HG   LEU  21           HG       LEU  21  -4.864 -16.453   6.407
  162   HD11  LEU  21          1HD1      LEU  21  -5.123 -15.045   8.403
  163   HD12  LEU  21          2HD1      LEU  21  -5.018 -13.608   7.387
  164   HD13  LEU  21          3HD1      LEU  21  -3.635 -14.694   7.522
  165   HD21  LEU  21          3HD2      LEU  21  -7.143 -14.498   6.174
  166   HD22  LEU  21          1HD2      LEU  21  -7.092 -15.890   7.254
  167   HD23  LEU  21          2HD2      LEU  21  -7.090 -16.129   5.506
  168    H    ARG  22           HN       ARG  22  -2.917 -12.834   3.591
  169    HA   ARG  22           HA       ARG  22  -1.674 -11.684   5.877
  170    HB2  ARG  22           2HB      ARG  22  -0.896 -11.633   2.954
  171    HB3  ARG  22           1HB      ARG  22   0.106 -10.987   4.243
  172    HG2  ARG  22           2HG      ARG  22   0.969 -13.114   3.729
  173    HG3  ARG  22           1HG      ARG  22   0.100 -13.298   5.253
  174    HD2  ARG  22           2HD      ARG  22  -1.777 -14.287   4.113
  175    HD3  ARG  22           1HD      ARG  22  -1.042 -13.966   2.544
  176    HE   ARG  22           HE       ARG  22   0.759 -15.553   3.301
  177   HH11  ARG  22          1HH1      ARG  22  -2.497 -15.776   4.561
  178   HH12  ARG  22          2HH1      ARG  22  -2.403 -17.488   4.855
  179   HH21  ARG  22          1HH2      ARG  22   0.865 -17.814   3.667
  180   HH22  ARG  22          2HH2      ARG  22  -0.523 -18.637   4.322
  181    H    PHE  23           HN       PHE  23  -3.266 -10.393   3.022
  182    HA   PHE  23           HA       PHE  23  -2.518  -7.685   3.438
  183    HB2  PHE  23           2HB      PHE  23  -3.166  -8.564   1.229
  184    HB3  PHE  23           1HB      PHE  23  -4.805  -8.821   1.815
  185    HD1  PHE  23           2HD      PHE  23  -2.275  -6.236   1.061
  186    HD2  PHE  23           1HD      PHE  23  -6.380  -7.063   1.837
  187    HE1  PHE  23           2HE      PHE  23  -2.862  -3.947   0.388
  188    HE2  PHE  23           1HE      PHE  23  -6.972  -4.770   1.168
  189    HZ   PHE  23           HZ       PHE  23  -5.213  -3.210   0.443
  190    H    THR  24           HN       THR  24  -5.389  -9.584   4.275
  191    HA   THR  24           HA       THR  24  -6.965  -7.379   5.042
  192    HB   THR  24           HB       THR  24  -7.853  -9.668   4.507
  193    HG1  THR  24           1HG      THR  24  -8.659  -8.465   6.968
  194   HG21  THR  24          3HG2      THR  24  -6.371 -11.040   5.852
  195   HG22  THR  24          1HG2      THR  24  -8.043 -11.283   6.361
  196   HG23  THR  24          2HG2      THR  24  -6.964 -10.277   7.327
  197    H    LEU  25           HN       LEU  25  -4.687  -9.379   6.850
  198    HA   LEU  25           HA       LEU  25  -5.263  -8.187   9.376
  199    HB2  LEU  25           2HB      LEU  25  -2.883  -9.726   8.353
  200    HB3  LEU  25           1HB      LEU  25  -2.985  -9.120   9.995
  201    HG   LEU  25           HG       LEU  25  -4.894 -11.096   8.741
  202   HD11  LEU  25          1HD1      LEU  25  -2.736 -11.474  10.810
  203   HD12  LEU  25          2HD1      LEU  25  -2.687 -12.049   9.144
  204   HD13  LEU  25          3HD1      LEU  25  -3.876 -12.704  10.268
  205   HD21  LEU  25          3HD2      LEU  25  -5.963  -9.656  10.412
  206   HD22  LEU  25          1HD2      LEU  25  -4.704 -10.072  11.572
  207   HD23  LEU  25          2HD2      LEU  25  -5.809 -11.314  10.989
  208    H    GLY  26           HN       GLY  26  -3.054  -7.488   6.746
  209    HA2  GLY  26           2HA      GLY  26  -1.436  -5.569   8.007
  210    HA3  GLY  26           1HA      GLY  26  -1.740  -5.667   6.279
  211    H    LYS  27           HN       LYS  27  -4.646  -5.337   6.651
  212    HA   LYS  27           HA       LYS  27  -4.913  -2.584   6.382
  213    HB2  LYS  27           2HB      LYS  27  -6.788  -4.828   6.935
  214    HB3  LYS  27           1HB      LYS  27  -7.378  -3.197   7.207
  215    HG2  LYS  27           2HG      LYS  27  -6.225  -4.214   4.618
  216    HG3  LYS  27           1HG      LYS  27  -7.946  -4.053   4.982
  217    HD2  LYS  27           2HD      LYS  27  -7.315  -1.583   5.527
  218    HD3  LYS  27           1HD      LYS  27  -5.892  -1.925   4.543
  219    HE2  LYS  27           2HE      LYS  27  -7.611  -0.951   3.162
  220    HE3  LYS  27           1HE      LYS  27  -7.371  -2.635   2.700
  221    HZ1  LYS  27           3HZ      LYS  27  -9.545  -1.628   4.461
  222    HZ2  LYS  27           1HZ      LYS  27  -9.334  -3.236   3.969
  223    HZ3  LYS  27           2HZ      LYS  27  -9.722  -2.048   2.826
  224    H    THR  28           HN       THR  28  -5.489  -4.607   9.246
  225    HA   THR  28           HA       THR  28  -6.337  -2.449  10.876
  226    HB   THR  28           HB       THR  28  -5.293  -5.170  11.714
  227    HG1  THR  28           1HG      THR  28  -7.602  -4.349  10.520
  228   HG21  THR  28          3HG2      THR  28  -5.303  -3.549  13.564
  229   HG22  THR  28          1HG2      THR  28  -6.548  -4.778  13.786
  230   HG23  THR  28          2HG2      THR  28  -6.990  -3.169  13.219
  231    H    TYR  29           HN       TYR  29  -3.209  -3.926  10.265
  232    HA   TYR  29           HA       TYR  29  -1.820  -2.583  12.338
  233    HB2  TYR  29           2HB      TYR  29  -0.829  -3.679   9.698
  234    HB3  TYR  29           1HB      TYR  29   0.223  -3.059  10.962
  235    HD1  TYR  29           2HD      TYR  29  -0.471  -4.180  13.391
  236    HD2  TYR  29           1HD      TYR  29  -0.891  -5.957   9.553
  237    HE1  TYR  29           2HE      TYR  29  -0.400  -6.410  14.423
  238    HE2  TYR  29           1HE      TYR  29  -0.824  -8.193  10.571
  239    HH   TYR  29           HH       TYR  29  -1.160  -8.714  13.897
  240    H    ALA  30           HN       ALA  30  -2.435  -1.814   8.934
  241    HA   ALA  30           HA       ALA  30  -0.771   0.500   8.905
  242    HB1  ALA  30           1HB      ALA  30  -3.005  -0.247   7.020
  243    HB2  ALA  30           2HB      ALA  30  -1.326  -0.768   6.875
  244    HB3  ALA  30           3HB      ALA  30  -1.735   0.941   6.722
  245    H    GLU  31           HN       GLU  31  -4.254  -0.012   9.280
  246    HA   GLU  31           HA       GLU  31  -4.917   2.744   9.367
  247    HB2  GLU  31           2HB      GLU  31  -6.402   0.313  10.362
  248    HB3  GLU  31           1HB      GLU  31  -7.079   1.933  10.346
  249    HG2  GLU  31           2HG      GLU  31  -6.755   2.016   7.902
  250    HG3  GLU  31           1HG      GLU  31  -6.166   0.356   7.952
  251    H    HIS  32           HN       HIS  32  -3.642   0.557  11.725
  252    HA   HIS  32           HA       HIS  32  -4.153   2.482  13.867
  253    HB2  HIS  32           2HB      HIS  32  -3.257  -0.365  13.806
  254    HB3  HIS  32           1HB      HIS  32  -2.838   0.630  15.195
  255    HD1  HIS  32           1HD      HIS  32  -4.713   1.283  16.808
  256    HD2  HIS  32           2HD      HIS  32  -6.024  -0.907  13.518
  257    HE1  HIS  32           1HE      HIS  32  -7.074   0.597  17.341
  258    HE2  HIS  32           2HE      HIS  32  -7.913  -0.540  15.258
  259    H    GLU  33           HN       GLU  33  -2.201   2.616  11.508
  260    HA   GLU  33           HA       GLU  33  -0.376   3.872  11.103
  261    HB2  GLU  33           2HB      GLU  33  -1.373   5.125  13.168
  262    HB3  GLU  33           1HB      GLU  33   0.005   4.443  14.020
  263    HG2  GLU  33           2HG      GLU  33   1.540   5.562  12.576
  264    HG3  GLU  33           1HG      GLU  33   0.232   6.103  11.523
  265    H    GLN  34           HN       GLN  34  -0.282   0.972  12.253
  266    HA   GLN  34           HA       GLN  34   2.579   0.931  12.888
  267    HB2  GLN  34           2HB      GLN  34   0.462  -1.220  13.016
  268    HB3  GLN  34           1HB      GLN  34   2.171  -1.529  13.288
  269    HG2  GLN  34           2HG      GLN  34   0.429   0.318  14.905
  270    HG3  GLN  34           1HG      GLN  34   0.962  -1.295  15.382
  271   HE21  GLN  34          1HE2      GLN  34   1.414   1.305  16.645
  272   HE22  GLN  34          2HE2      GLN  34   3.136   1.472  16.778
  273    H    PHE  35           HN       PHE  35   2.873   1.701  10.646
  274    HA   PHE  35           HA       PHE  35   2.375   0.005   8.438
  275    HB2  PHE  35           2HB      PHE  35   4.401   2.230   8.765
  276    HB3  PHE  35           1HB      PHE  35   3.940   1.494   7.232
  277    HD1  PHE  35           1HD      PHE  35   1.661   1.813   6.348
  278    HD2  PHE  35           2HD      PHE  35   3.028   3.855   9.821
  279    HE1  PHE  35           1HE      PHE  35  -0.201   3.406   6.137
  280    HE2  PHE  35           2HE      PHE  35   1.170   5.453   9.620
  281    HZ   PHE  35           HZ       PHE  35  -0.449   5.233   7.777
  282    H    ASP  36           HN       ASP  36   4.955   0.281  10.740
  283    HA   ASP  36           HA       ASP  36   6.965  -1.227   9.563
  284    HB2  ASP  36           2HB      ASP  36   7.206   0.017  11.675
  285    HB3  ASP  36           1HB      ASP  36   6.133  -1.120  12.472
  286    H    ALA  37           HN       ALA  37   4.277  -2.266  11.584
  287    HA   ALA  37           HA       ALA  37   4.888  -5.051  11.377
  288    HB1  ALA  37           1HB      ALA  37   2.331  -3.738  12.296
  289    HB2  ALA  37           2HB      ALA  37   3.722  -4.093  13.324
  290    HB3  ALA  37           3HB      ALA  37   2.817  -5.410  12.578
  291    H    ALA  38           HN       ALA  38   2.859  -2.812   9.629
  292    HA   ALA  38           HA       ALA  38   1.240  -4.765   8.337
  293    HB1  ALA  38           1HB      ALA  38   0.495  -2.457   8.615
  294    HB2  ALA  38           2HB      ALA  38   0.493  -2.927   6.914
  295    HB3  ALA  38           3HB      ALA  38   1.785  -1.907   7.547
  296    H    LEU  39           HN       LEU  39   4.251  -3.147   7.515
  297    HA   LEU  39           HA       LEU  39   4.299  -3.480   4.780
  298    HB2  LEU  39           2HB      LEU  39   5.950  -2.344   6.513
  299    HB3  LEU  39           1HB      LEU  39   6.842  -3.834   6.290
  300    HG   LEU  39           HG       LEU  39   6.066  -1.959   4.054
  301   HD11  LEU  39          1HD1      LEU  39   8.699  -2.297   5.478
  302   HD12  LEU  39          2HD1      LEU  39   7.638  -0.891   5.567
  303   HD13  LEU  39          3HD1      LEU  39   8.425  -1.309   4.044
  304   HD21  LEU  39          3HD2      LEU  39   7.664  -3.232   2.727
  305   HD22  LEU  39          1HD2      LEU  39   6.385  -4.283   3.336
  306   HD23  LEU  39          2HD2      LEU  39   7.975  -4.295   4.100
  307    HA   PRO  40           HA       PRO  40   6.611  -7.765   5.263
  308    HB2  PRO  40           2HB      PRO  40   5.922  -9.126   7.571
  309    HB3  PRO  40           1HB      PRO  40   7.443  -8.265   7.318
  310    HG2  PRO  40           2HG      PRO  40   4.976  -7.378   8.743
  311    HG3  PRO  40           1HG      PRO  40   6.678  -7.117   9.172
  312    HD2  PRO  40           2HD      PRO  40   5.202  -5.174   8.063
  313    HD3  PRO  40           1HD      PRO  40   6.919  -5.374   7.658
  314    H    HIS  41           HN       HIS  41   3.429  -7.246   6.718
  315    HA   HIS  41           HA       HIS  41   2.383  -9.771   5.881
  316    HB2  HIS  41           2HB      HIS  41   1.074  -7.257   6.908
  317    HB3  HIS  41           1HB      HIS  41   0.132  -8.647   6.378
  318    HD1  HIS  41           1HD      HIS  41  -0.089 -10.591   7.992
  319    HD2  HIS  41           2HD      HIS  41   2.695  -7.757   9.230
  320    HE1  HIS  41           1HE      HIS  41   0.506 -11.207  10.354
  321    HE2  HIS  41           2HE      HIS  41   2.301  -9.578  11.027
  322    H    LEU  42           HN       LEU  42   2.155  -6.455   4.621
  323    HA   LEU  42           HA       LEU  42   0.534  -7.142   2.401
  324    HB2  LEU  42           2HB      LEU  42   2.231  -4.791   3.103
  325    HB3  LEU  42           1HB      LEU  42   1.693  -4.969   1.446
  326    HG   LEU  42           HG       LEU  42  -0.662  -5.043   2.272
  327   HD11  LEU  42          1HD1      LEU  42  -0.261  -5.775   4.551
  328   HD12  LEU  42          2HD1      LEU  42  -1.131  -4.240   4.535
  329   HD13  LEU  42          3HD1      LEU  42   0.596  -4.271   4.900
  330   HD21  LEU  42          3HD2      LEU  42  -0.811  -2.639   2.705
  331   HD22  LEU  42          1HD2      LEU  42   0.304  -2.997   1.384
  332   HD23  LEU  42          2HD2      LEU  42   0.932  -2.585   2.981
  333    H    ARG  43           HN       ARG  43   4.040  -6.960   2.853
  334    HA   ARG  43           HA       ARG  43   4.765  -7.451   0.185
  335    HB2  ARG  43           2HB      ARG  43   6.421  -6.704   1.795
  336    HB3  ARG  43           1HB      ARG  43   6.219  -8.179   2.736
  337    HG2  ARG  43           2HG      ARG  43   7.119  -9.498   0.916
  338    HG3  ARG  43           1HG      ARG  43   7.247  -8.057  -0.092
  339    HD2  ARG  43           2HD      ARG  43   8.901  -7.116   1.384
  340    HD3  ARG  43           1HD      ARG  43   8.695  -8.449   2.524
  341    HE   ARG  43           HE       ARG  43   9.667  -9.921   0.867
  342   HH11  ARG  43          1HH1      ARG  43  10.102  -6.475   0.364
  343   HH12  ARG  43          2HH1      ARG  43  11.441  -6.685  -0.725
  344   HH21  ARG  43          1HH2      ARG  43  11.412 -10.188  -0.571
  345   HH22  ARG  43          2HH2      ARG  43  12.182  -8.791  -1.266
  346    H    ALA  44           HN       ALA  44   4.077  -9.674   2.856
  347    HA   ALA  44           HA       ALA  44   4.701 -12.056   1.502
  348    HB1  ALA  44           1HB      ALA  44   4.403 -11.948   3.921
  349    HB2  ALA  44           2HB      ALA  44   3.351 -13.170   3.205
  350    HB3  ALA  44           3HB      ALA  44   2.685 -11.614   3.703
  351    H    ALA  45           HN       ALA  45   1.784 -10.091   1.602
  352    HA   ALA  45           HA       ALA  45   0.112 -11.919   0.205
  353    HB1  ALA  45           1HB      ALA  45  -0.779 -10.099   1.593
  354    HB2  ALA  45           2HB      ALA  45  -1.412 -10.045  -0.052
  355    HB3  ALA  45           3HB      ALA  45  -0.145  -8.922   0.442
  356    H    LEU  46           HN       LEU  46   2.012  -9.093  -0.823
  357    HA   LEU  46           HA       LEU  46   1.234  -9.187  -3.535
  358    HB2  LEU  46           2HB      LEU  46   3.502  -7.905  -2.063
  359    HB3  LEU  46           1HB      LEU  46   3.473  -7.882  -3.817
  360    HG   LEU  46           HG       LEU  46   1.277  -6.782  -2.063
  361   HD11  LEU  46          1HD1      LEU  46   3.358  -5.508  -1.835
  362   HD12  LEU  46          2HD1      LEU  46   2.116  -4.591  -2.689
  363   HD13  LEU  46          3HD1      LEU  46   3.438  -5.335  -3.589
  364   HD21  LEU  46          3HD2      LEU  46   0.476  -5.782  -4.142
  365   HD22  LEU  46          1HD2      LEU  46   0.523  -7.542  -4.261
  366   HD23  LEU  46          2HD2      LEU  46   1.779  -6.572  -5.032
  367    H    ASP  47           HN       ASP  47   3.729 -10.833  -1.763
  368    HA   ASP  47           HA       ASP  47   5.273 -11.757  -3.918
  369    HB2  ASP  47           2HB      ASP  47   5.975 -11.962  -1.569
  370    HB3  ASP  47           1HB      ASP  47   4.684 -13.116  -1.275
  371    H    PHE  48           HN       PHE  48   2.425 -13.076  -2.330
  372    HA   PHE  48           HA       PHE  48   2.375 -15.396  -4.058
  373    HB2  PHE  48           2HB      PHE  48   1.729 -15.439  -1.616
  374    HB3  PHE  48           1HB      PHE  48   0.280 -14.542  -2.057
  375    HD1  PHE  48           2HD      PHE  48   2.108 -17.700  -2.729
  376    HD2  PHE  48           1HD      PHE  48  -1.624 -15.662  -2.793
  377    HE1  PHE  48           2HE      PHE  48   0.973 -19.813  -3.263
  378    HE2  PHE  48           1HE      PHE  48  -2.771 -17.776  -3.322
  379    HZ   PHE  48           HZ       PHE  48  -1.474 -19.855  -3.559
  380    H    ASP  49           HN       ASP  49   0.580 -12.386  -3.662
  381    HA   ASP  49           HA       ASP  49  -0.917 -13.037  -6.116
  382    HB2  ASP  49           2HB      ASP  49  -2.315 -12.944  -4.029
  383    HB3  ASP  49           1HB      ASP  49  -1.880 -11.245  -3.879
  384    HA   PRO  50           HA       PRO  50   1.437  -9.236  -7.179
  385    HB2  PRO  50           2HB      PRO  50   1.692 -10.447  -9.810
  386    HB3  PRO  50           1HB      PRO  50   2.963 -10.000  -8.670
  387    HG2  PRO  50           2HG      PRO  50   2.350 -12.580  -9.286
  388    HG3  PRO  50           1HG      PRO  50   3.031 -12.082  -7.729
  389    HD2  PRO  50           2HD      PRO  50   0.189 -12.710  -8.439
  390    HD3  PRO  50           1HD      PRO  50   1.108 -13.138  -6.979
  391    H    THR  51           HN       THR  51  -1.450 -10.702  -8.048
  392    HA   THR  51           HA       THR  51  -2.072  -8.728 -10.122
  393    HB   THR  51           HB       THR  51  -4.250 -10.237 -10.184
  394    HG1  THR  51           1HG      THR  51  -3.193 -11.490  -8.320
  395   HG21  THR  51          3HG2      THR  51  -1.591 -11.089 -11.331
  396   HG22  THR  51          1HG2      THR  51  -2.697  -9.912 -12.041
  397   HG23  THR  51          2HG2      THR  51  -3.175 -11.606 -11.909
  398    H    TYR  52           HN       TYR  52  -2.211  -8.745  -6.910
  399    HA   TYR  52           HA       TYR  52  -4.929  -7.774  -6.613
  400    HB2  TYR  52           2HB      TYR  52  -3.538  -9.178  -4.895
  401    HB3  TYR  52           1HB      TYR  52  -2.860  -7.616  -4.449
  402    HD1  TYR  52           2HD      TYR  52  -5.996  -9.568  -4.642
  403    HD2  TYR  52           1HD      TYR  52  -4.105  -6.076  -3.121
  404    HE1  TYR  52           2HE      TYR  52  -7.944  -9.146  -3.201
  405    HE2  TYR  52           1HE      TYR  52  -6.043  -5.649  -1.673
  406    HH   TYR  52           HH       TYR  52  -8.446  -6.197  -1.603
  407    H    SER  53           HN       SER  53  -4.867  -5.966  -7.935
  408    HA   SER  53           HA       SER  53  -3.077  -3.929  -8.125
  409    HB2  SER  53           2HB      SER  53  -6.055  -3.446  -8.098
  410    HB3  SER  53           1HB      SER  53  -4.829  -2.622  -9.061
  411    HG   SER  53           HG       SER  53  -6.086  -4.260 -10.199
  412    H    VAL  54           HN       VAL  54  -5.626  -4.264  -5.713
  413    HA   VAL  54           HA       VAL  54  -5.462  -1.750  -4.533
  414    HB   VAL  54           HB       VAL  54  -6.170  -4.345  -3.151
  415   HG11  VAL  54          1HG1      VAL  54  -7.003  -1.508  -2.564
  416   HG12  VAL  54          2HG1      VAL  54  -5.850  -2.459  -1.629
  417   HG13  VAL  54          3HG1      VAL  54  -7.543  -2.950  -1.702
  418   HG21  VAL  54          3HG2      VAL  54  -7.445  -4.094  -5.200
  419   HG22  VAL  54          1HG2      VAL  54  -7.921  -2.466  -4.722
  420   HG23  VAL  54          2HG2      VAL  54  -8.474  -3.853  -3.788
  421    H    ALA  55           HN       ALA  55  -3.524  -4.639  -4.056
  422    HA   ALA  55           HA       ALA  55  -2.334  -3.759  -1.609
  423    HB1  ALA  55           1HB      ALA  55  -2.550  -6.130  -2.161
  424    HB2  ALA  55           2HB      ALA  55  -0.870  -5.686  -1.846
  425    HB3  ALA  55           3HB      ALA  55  -1.428  -5.918  -3.505
  426    H    TRP  56           HN       TRP  56  -1.495  -3.458  -5.030
  427    HA   TRP  56           HA       TRP  56   1.180  -2.611  -4.708
  428    HB2  TRP  56           2HB      TRP  56  -0.657  -1.425  -6.783
  429    HB3  TRP  56           1HB      TRP  56   1.070  -1.699  -6.895
  430    HD1  TRP  56           1HD      TRP  56   0.827  -4.885  -6.031
  431    HE1  TRP  56           1HE      TRP  56   0.019  -6.515  -7.849
  432    HE3  TRP  56           3HE      TRP  56  -1.452  -1.538  -9.136
  433    HZ2  TRP  56           2HZ      TRP  56  -1.409  -6.390 -10.281
  434    HZ3  TRP  56           3HZ      TRP  56  -2.512  -2.369 -11.192
  435    HH2  TRP  56           2HH      TRP  56  -2.491  -4.745 -11.754
  436    H    LYS  57           HN       LYS  57  -1.872  -0.904  -4.851
  437    HA   LYS  57           HA       LYS  57  -0.860   1.707  -4.552
  438    HB2  LYS  57           2HB      LYS  57  -2.982   1.350  -5.579
  439    HB3  LYS  57           1HB      LYS  57  -3.592   0.495  -4.180
  440    HG2  LYS  57           2HG      LYS  57  -3.963   2.428  -2.991
  441    HG3  LYS  57           1HG      LYS  57  -2.786   3.354  -3.929
  442    HD2  LYS  57           2HD      LYS  57  -4.230   3.475  -5.800
  443    HD3  LYS  57           1HD      LYS  57  -5.306   2.243  -5.138
  444    HE2  LYS  57           2HE      LYS  57  -4.857   4.814  -3.680
  445    HE3  LYS  57           1HE      LYS  57  -5.993   4.740  -5.026
  446    HZ1  LYS  57           3HZ      LYS  57  -7.094   4.375  -2.909
  447    HZ2  LYS  57           1HZ      LYS  57  -6.092   3.045  -2.584
  448    HZ3  LYS  57           2HZ      LYS  57  -7.190   2.985  -3.878
  449    H    TRP  58           HN       TRP  58  -1.997  -0.689  -2.212
  450    HA   TRP  58           HA       TRP  58  -1.874   1.118   0.001
  451    HB2  TRP  58           2HB      TRP  58  -2.405  -1.768  -0.363
  452    HB3  TRP  58           1HB      TRP  58  -1.784  -1.280   1.212
  453    HD1  TRP  58           1HD      TRP  58  -4.885  -1.070  -0.975
  454    HE1  TRP  58           1HE      TRP  58  -6.817  -0.063   0.402
  455    HE3  TRP  58           3HE      TRP  58  -2.257   0.364   3.177
  456    HZ2  TRP  58           2HZ      TRP  58  -7.170   1.174   2.909
  457    HZ3  TRP  58           3HZ      TRP  58  -3.469   1.458   5.018
  458    HH2  TRP  58           2HH      TRP  58  -5.874   1.855   4.884
  459    H    LEU  59           HN       LEU  59   0.385  -1.095  -1.508
  460    HA   LEU  59           HA       LEU  59   2.292  -1.226   0.545
  461    HB2  LEU  59           2HB      LEU  59   2.133  -2.487  -1.723
  462    HB3  LEU  59           1HB      LEU  59   3.040  -1.133  -2.364
  463    HG   LEU  59           HG       LEU  59   4.399  -3.167  -1.762
  464   HD11  LEU  59          1HD1      LEU  59   6.210  -1.914  -0.695
  465   HD12  LEU  59          2HD1      LEU  59   5.087  -0.596  -0.357
  466   HD13  LEU  59          3HD1      LEU  59   5.472  -1.022  -2.024
  467   HD21  LEU  59          3HD2      LEU  59   3.191  -3.772   0.274
  468   HD22  LEU  59          1HD2      LEU  59   3.767  -2.302   1.055
  469   HD23  LEU  59          2HD2      LEU  59   4.912  -3.557   0.585
  470    H    GLY  60           HN       GLY  60   1.928   1.062  -2.147
  471    HA2  GLY  60           2HA      GLY  60   4.111   2.718  -1.503
  472    HA3  GLY  60           1HA      GLY  60   2.688   3.213  -2.412
  473    H    LYS  61           HN       LYS  61   0.731   2.817  -0.473
  474    HA   LYS  61           HA       LYS  61   0.855   5.174   1.043
  475    HB2  LYS  61           2HB      LYS  61  -0.909   2.738   1.189
  476    HB3  LYS  61           1HB      LYS  61  -1.115   4.103   2.277
  477    HG2  LYS  61           2HG      LYS  61  -1.545   5.574   0.411
  478    HG3  LYS  61           1HG      LYS  61  -1.232   4.262  -0.726
  479    HD2  LYS  61           2HD      LYS  61  -3.654   4.709  -0.323
  480    HD3  LYS  61           1HD      LYS  61  -3.157   3.055   0.043
  481    HE2  LYS  61           2HE      LYS  61  -4.658   3.947   1.753
  482    HE3  LYS  61           1HE      LYS  61  -3.065   3.592   2.412
  483    HZ1  LYS  61           3HZ      LYS  61  -2.520   5.923   2.338
  484    HZ2  LYS  61           1HZ      LYS  61  -3.965   5.715   3.198
  485    HZ3  LYS  61           2HZ      LYS  61  -4.003   6.294   1.604
  486    H    THR  62           HN       THR  62   1.617   1.833   1.836
  487    HA   THR  62           HA       THR  62   1.911   2.164   4.619
  488    HB   THR  62           HB       THR  62   3.298   0.168   2.814
  489    HG1  THR  62           1HG      THR  62   0.993   0.096   2.674
  490   HG21  THR  62          3HG2      THR  62   2.730   0.084   5.782
  491   HG22  THR  62          1HG2      THR  62   4.315   0.294   5.042
  492   HG23  THR  62          2HG2      THR  62   3.438  -1.223   4.833
  493    H    LEU  63           HN       LEU  63   4.209   2.420   1.934
  494    HA   LEU  63           HA       LEU  63   6.475   2.959   3.561
  495    HB2  LEU  63           2HB      LEU  63   5.963   3.633   0.661
  496    HB3  LEU  63           1HB      LEU  63   7.525   3.696   1.457
  497    HG   LEU  63           HG       LEU  63   5.882   1.187   1.121
  498   HD11  LEU  63          1HD1      LEU  63   8.292   2.149  -0.407
  499   HD12  LEU  63          2HD1      LEU  63   6.648   2.006  -1.031
  500   HD13  LEU  63          3HD1      LEU  63   7.543   0.560  -0.560
  501   HD21  LEU  63          3HD2      LEU  63   7.347   1.140   3.067
  502   HD22  LEU  63          1HD2      LEU  63   8.717   1.609   2.060
  503   HD23  LEU  63          2HD2      LEU  63   7.933   0.050   1.810
  504    H    GLN  64           HN       GLN  64   4.000   4.935   2.076
  505    HA   GLN  64           HA       GLN  64   5.069   7.482   2.501
  506    HB2  GLN  64           2HB      GLN  64   3.088   7.182   1.162
  507    HB3  GLN  64           1HB      GLN  64   2.213   6.492   2.519
  508    HG2  GLN  64           2HG      GLN  64   1.435   8.710   2.152
  509    HG3  GLN  64           1HG      GLN  64   2.343   8.683   3.660
  510   HE21  GLN  64          1HE2      GLN  64   3.859   8.662   0.510
  511   HE22  GLN  64          2HE2      GLN  64   4.513  10.257   0.604
  512    H    GLY  65           HN       GLY  65   3.005   5.492   4.614
  513    HA2  GLY  65           2HA      GLY  65   3.045   7.375   6.766
  514    HA3  GLY  65           1HA      GLY  65   2.467   5.719   6.843
  515    H    GLN  66           HN       GLN  66   5.067   4.694   5.839
  516    HA   GLN  66           HA       GLN  66   6.364   4.361   8.351
  517    HB2  GLN  66           2HB      GLN  66   6.315   2.635   6.552
  518    HB3  GLN  66           1HB      GLN  66   7.378   3.651   5.589
  519    HG2  GLN  66           2HG      GLN  66   8.656   1.915   6.646
  520    HG3  GLN  66           1HG      GLN  66   9.097   3.474   7.343
  521   HE21  GLN  66          1HE2      GLN  66   9.864   2.592   9.227
  522   HE22  GLN  66          2HE2      GLN  66   8.831   1.889  10.423
  523    H    GLY  67           HN       GLY  67   6.580   6.710   5.891
  524    HA2  GLY  67           2HA      GLY  67   7.726   8.730   6.037
  525    HA3  GLY  67           1HA      GLY  67   8.673   8.072   7.364
  526    H    ASP  68           HN       ASP  68   8.396   6.215   4.452
  527    HA   ASP  68           HA       ASP  68  11.165   6.979   3.798
  528    HB2  ASP  68           2HB      ASP  68  10.648   4.535   4.422
  529    HB3  ASP  68           1HB      ASP  68   9.829   4.441   2.866
  530    H    ARG  69           HN       ARG  69  10.668   8.717   2.510
  531    HA   ARG  69           HA       ARG  69   8.642   8.686   0.543
  532    HB2  ARG  69           2HB      ARG  69   9.513  10.824  -0.171
  533    HB3  ARG  69           1HB      ARG  69   9.516  10.752   1.583
  534    HG2  ARG  69           2HG      ARG  69  11.559  11.669   1.245
  535    HG3  ARG  69           1HG      ARG  69  12.006   9.964   1.185
  536    HD2  ARG  69           2HD      ARG  69  11.767  10.042  -1.278
  537    HD3  ARG  69           1HD      ARG  69  11.465  11.773  -1.162
  538    HE   ARG  69           HE       ARG  69  13.982  10.611  -0.168
  539   HH11  ARG  69          1HH1      ARG  69  12.233  12.835  -2.204
  540   HH12  ARG  69          2HH1      ARG  69  13.647  13.635  -2.817
  541   HH21  ARG  69          1HH2      ARG  69  15.883  11.623  -0.982
  542   HH22  ARG  69          2HH2      ARG  69  15.733  12.936  -2.110
  543    H    ALA  70           HN       ALA  70  11.999   7.741   0.490
  544    HA   ALA  70           HA       ALA  70  12.336   7.777  -2.329
  545    HB1  ALA  70           1HB      ALA  70  13.808   6.184  -0.238
  546    HB2  ALA  70           2HB      ALA  70  14.232   7.800  -0.800
  547    HB3  ALA  70           3HB      ALA  70  14.329   6.430  -1.905
  548    H    GLY  71           HN       GLY  71  11.649   5.166  -0.008
  549    HA2  GLY  71           2HA      GLY  71  11.394   3.082  -1.867
  550    HA3  GLY  71           1HA      GLY  71  10.620   3.132  -0.288
  551    H    ALA  72           HN       ALA  72   9.013   5.392  -0.681
  552    HA   ALA  72           HA       ALA  72   6.782   4.228  -1.981
  553    HB1  ALA  72           1HB      ALA  72   6.575   5.780  -0.090
  554    HB2  ALA  72           2HB      ALA  72   5.635   6.311  -1.485
  555    HB3  ALA  72           3HB      ALA  72   7.173   7.089  -1.111
  556    H    ARG  73           HN       ARG  73   9.048   6.775  -2.858
  557    HA   ARG  73           HA       ARG  73   7.878   7.705  -5.206
  558    HB2  ARG  73           2HB      ARG  73   9.839   8.694  -3.990
  559    HB3  ARG  73           1HB      ARG  73  10.838   7.408  -4.635
  560    HG2  ARG  73           2HG      ARG  73   9.339   9.256  -6.449
  561    HG3  ARG  73           1HG      ARG  73  10.899   9.707  -5.762
  562    HD2  ARG  73           2HD      ARG  73  11.763   7.502  -6.702
  563    HD3  ARG  73           1HD      ARG  73  10.259   7.432  -7.619
  564    HE   ARG  73           HE       ARG  73  12.487   9.278  -8.023
  565   HH11  ARG  73          1HH1      ARG  73   9.195   8.403  -8.825
  566   HH12  ARG  73          2HH1      ARG  73   9.229   9.182 -10.370
  567   HH21  ARG  73          1HH2      ARG  73  12.527  10.333 -10.044
  568   HH22  ARG  73          2HH2      ARG  73  11.129  10.280 -11.067
  569    H    GLN  74           HN       GLN  74  10.294   5.121  -4.794
  570    HA   GLN  74           HA       GLN  74  10.283   4.442  -7.565
  571    HB2  GLN  74           2HB      GLN  74  11.568   2.428  -6.843
  572    HB3  GLN  74           1HB      GLN  74  12.250   3.951  -6.298
  573    HG2  GLN  74           2HG      GLN  74  11.325   3.606  -4.086
  574    HG3  GLN  74           1HG      GLN  74  10.571   2.105  -4.621
  575   HE21  GLN  74          1HE2      GLN  74  13.546   3.683  -3.776
  576   HE22  GLN  74          2HE2      GLN  74  14.506   2.245  -3.668
  577    H    ALA  75           HN       ALA  75   8.541   3.243  -4.753
  578    HA   ALA  75           HA       ALA  75   7.540   0.883  -5.944
  579    HB1  ALA  75           1HB      ALA  75   5.962   0.819  -4.094
  580    HB2  ALA  75           2HB      ALA  75   6.366   2.485  -3.682
  581    HB3  ALA  75           3HB      ALA  75   7.582   1.220  -3.525
  582    H    TRP  76           HN       TRP  76   6.242   4.170  -5.730
  583    HA   TRP  76           HA       TRP  76   3.729   3.529  -6.851
  584    HB2  TRP  76           2HB      TRP  76   5.213   6.109  -6.469
  585    HB3  TRP  76           1HB      TRP  76   3.696   6.065  -7.363
  586    HD1  TRP  76           1HD      TRP  76   2.181   3.938  -5.513
  587    HE1  TRP  76           1HE      TRP  76   1.360   4.664  -3.188
  588    HE3  TRP  76           3HE      TRP  76   5.232   7.979  -4.788
  589    HZ2  TRP  76           2HZ      TRP  76   1.922   6.669  -1.298
  590    HZ3  TRP  76           3HZ      TRP  76   5.018   9.250  -2.690
  591    HH2  TRP  76           2HH      TRP  76   3.394   8.607  -0.984
  592    H    GLU  77           HN       GLU  77   6.800   4.525  -8.275
  593    HA   GLU  77           HA       GLU  77   5.914   4.814 -10.920
  594    HB2  GLU  77           2HB      GLU  77   8.561   3.763  -9.906
  595    HB3  GLU  77           1HB      GLU  77   8.236   4.196 -11.579
  596    HG2  GLU  77           2HG      GLU  77   7.664   6.507 -10.723
  597    HG3  GLU  77           1HG      GLU  77   8.367   5.999  -9.187
  598    H    SER  78           HN       SER  78   6.857   1.960  -9.078
  599    HA   SER  78           HA       SER  78   6.615   0.141 -11.267
  600    HB2  SER  78           2HB      SER  78   7.973  -0.246  -9.164
  601    HB3  SER  78           1HB      SER  78   6.453  -0.515  -8.313
  602    HG   SER  78           HG       SER  78   6.109  -2.345  -9.452
  603    H    GLY  79           HN       GLY  79   4.487   1.262  -8.693
  604    HA2  GLY  79           2HA      GLY  79   2.347  -0.525  -9.172
  605    HA3  GLY  79           1HA      GLY  79   2.230   1.026  -8.355
  606    H    LEU  80           HN       LEU  80   3.091   2.687 -10.450
  607    HA   LEU  80           HA       LEU  80   0.723   3.078 -11.886
  608    HB2  LEU  80           2HB      LEU  80   3.411   4.231 -11.867
  609    HB3  LEU  80           1HB      LEU  80   2.630   4.305 -13.434
  610    HG   LEU  80           HG       LEU  80   0.725   5.497 -12.427
  611   HD11  LEU  80          1HD1      LEU  80   0.861   4.569 -10.180
  612   HD12  LEU  80          2HD1      LEU  80   0.870   6.331 -10.143
  613   HD13  LEU  80          3HD1      LEU  80   2.371   5.436  -9.905
  614   HD21  LEU  80          3HD2      LEU  80   1.884   7.612 -11.996
  615   HD22  LEU  80          1HD2      LEU  80   2.563   6.772 -13.391
  616   HD23  LEU  80          2HD2      LEU  80   3.411   6.742 -11.844
  617    H    ALA  81           HN       ALA  81   3.805   1.637 -12.938
  618    HA   ALA  81           HA       ALA  81   2.947   1.048 -15.568
  619    HB1  ALA  81           1HB      ALA  81   4.883  -0.451 -15.668
  620    HB2  ALA  81           2HB      ALA  81   5.088  -0.307 -13.922
  621    HB3  ALA  81           3HB      ALA  81   5.309   1.105 -14.955
  622    H    ALA  82           HN       ALA  82   2.637  -0.693 -12.538
  623    HA   ALA  82           HA       ALA  82   1.715  -3.132 -13.651
  624    HB1  ALA  82           1HB      ALA  82   1.154  -1.927 -10.939
  625    HB2  ALA  82           2HB      ALA  82   2.513  -2.972 -11.347
  626    HB3  ALA  82           3HB      ALA  82   0.869  -3.607 -11.397
  627    H    ALA  83           HN       ALA  83   0.083  -0.238 -12.430
  628    HA   ALA  83           HA       ALA  83  -2.555  -1.116 -12.981
  629    HB1  ALA  83           1HB      ALA  83  -1.520   1.708 -12.718
  630    HB2  ALA  83           2HB      ALA  83  -2.066   0.686 -11.389
  631    HB3  ALA  83           3HB      ALA  83  -3.208   1.205 -12.629
  632    H    GLN  84           HN       GLN  84  -0.200   0.790 -14.830
  633    HA   GLN  84           HA       GLN  84  -1.827   1.409 -17.022
  634    HB2  GLN  84           2HB      GLN  84   1.133   1.047 -16.692
  635    HB3  GLN  84           1HB      GLN  84   0.438   1.421 -18.256
  636    HG2  GLN  84           2HG      GLN  84   0.016   3.091 -15.797
  637    HG3  GLN  84           1HG      GLN  84   1.294   3.376 -16.973
  638   HE21  GLN  84          1HE2      GLN  84  -2.113   3.505 -16.357
  639   HE22  GLN  84          2HE2      GLN  84  -2.533   4.436 -17.747
  640    H    SER  85           HN       SER  85   0.295  -1.379 -16.447
  641    HA   SER  85           HA       SER  85  -0.228  -2.673 -18.891
  642    HB2  SER  85           2HB      SER  85   1.635  -3.190 -17.254
  643    HB3  SER  85           1HB      SER  85   0.440  -4.041 -16.279
  644    HG   SER  85           HG       SER  85   1.443  -4.679 -18.834
  645    H    ARG  86           HN       ARG  86  -1.870  -2.849 -15.754
  646    HA   ARG  86           HA       ARG  86  -3.769  -4.805 -16.593
  647    HB2  ARG  86           2HB      ARG  86  -3.304  -3.101 -14.220
  648    HB3  ARG  86           1HB      ARG  86  -4.958  -3.629 -14.483
  649    HG2  ARG  86           2HG      ARG  86  -3.771  -5.110 -12.972
  650    HG3  ARG  86           1HG      ARG  86  -4.248  -5.936 -14.447
  651    HD2  ARG  86           2HD      ARG  86  -1.507  -4.773 -14.164
  652    HD3  ARG  86           1HD      ARG  86  -1.891  -6.348 -13.470
  653    HE   ARG  86           HE       ARG  86  -2.693  -6.198 -16.194
  654   HH11  ARG  86          1HH1      ARG  86   0.058  -6.713 -14.094
  655   HH12  ARG  86          2HH1      ARG  86   1.008  -7.509 -15.316
  656   HH21  ARG  86          1HH2      ARG  86  -1.479  -7.274 -17.799
  657   HH22  ARG  86          2HH2      ARG  86   0.128  -7.836 -17.428
  658    H    GLY  87           HN       GLY  87  -3.439  -1.485 -17.179
  659    HA2  GLY  87           2HA      GLY  87  -4.770  -0.065 -18.420
  660    HA3  GLY  87           1HA      GLY  87  -5.936  -1.366 -18.580
  661    H    ASP  88           HN       ASP  88  -4.914  -0.550 -15.414
  662    HA   ASP  88           HA       ASP  88  -7.633   0.197 -14.763
  663    HB2  ASP  88           2HB      ASP  88  -6.216  -1.428 -13.370
  664    HB3  ASP  88           1HB      ASP  88  -5.357   0.002 -12.797
  665    H    GLN  89           HN       GLN  89  -7.816   2.153 -15.632
  666    HA   GLN  89           HA       GLN  89  -6.063   4.299 -15.449
  667    HB2  GLN  89           2HB      GLN  89  -9.067   4.341 -15.681
  668    HB3  GLN  89           1HB      GLN  89  -7.990   5.661 -16.079
  669    HG2  GLN  89           2HG      GLN  89  -8.144   2.998 -17.460
  670    HG3  GLN  89           1HG      GLN  89  -8.720   4.539 -18.086
  671   HE21  GLN  89          1HE2      GLN  89  -5.971   2.547 -17.450
  672   HE22  GLN  89          2HE2      GLN  89  -4.820   3.483 -18.334
  673    H    GLN  90           HN       GLN  90  -8.702   3.352 -13.346
  674    HA   GLN  90           HA       GLN  90  -8.883   5.648 -11.786
  675    HB2  GLN  90           2HB      GLN  90 -10.561   3.938 -11.624
  676    HB3  GLN  90           1HB      GLN  90  -9.380   2.758 -11.073
  677    HG2  GLN  90           2HG      GLN  90  -9.034   4.168  -9.043
  678    HG3  GLN  90           1HG      GLN  90 -10.382   5.169  -9.581
  679   HE21  GLN  90          1HE2      GLN  90  -9.988   3.484  -7.202
  680   HE22  GLN  90          2HE2      GLN  90 -11.342   2.398  -7.176
  681    H    VAL  91           HN       VAL  91  -6.850   2.769 -11.333
  682    HA   VAL  91           HA       VAL  91  -5.872   3.609  -8.797
  683    HB   VAL  91           HB       VAL  91  -4.749   1.575 -10.739
  684   HG11  VAL  91          1HG1      VAL  91  -3.416   0.741  -8.840
  685   HG12  VAL  91          2HG1      VAL  91  -3.931   2.133  -7.887
  686   HG13  VAL  91          3HG1      VAL  91  -2.941   2.368  -9.327
  687   HG21  VAL  91          3HG2      VAL  91  -6.942   1.024  -9.818
  688   HG22  VAL  91          1HG2      VAL  91  -6.322   1.257  -8.185
  689   HG23  VAL  91          2HG2      VAL  91  -5.699  -0.056  -9.186
  690    H    VAL  92           HN       VAL  92  -4.688   3.992 -12.096
  691    HA   VAL  92           HA       VAL  92  -2.168   5.065 -11.529
  692    HB   VAL  92           HB       VAL  92  -4.003   5.766 -13.831
  693   HG11  VAL  92          1HG1      VAL  92  -1.015   6.079 -13.566
  694   HG12  VAL  92          2HG1      VAL  92  -2.201   7.384 -13.567
  695   HG13  VAL  92          3HG1      VAL  92  -1.966   6.409 -15.015
  696   HG21  VAL  92          3HG2      VAL  92  -1.875   3.642 -13.592
  697   HG22  VAL  92          1HG2      VAL  92  -2.723   4.071 -15.078
  698   HG23  VAL  92          2HG2      VAL  92  -3.613   3.380 -13.723
  699    H    LYS  93           HN       LYS  93  -5.328   6.646 -11.868
  700    HA   LYS  93           HA       LYS  93  -4.342   9.278 -11.472
  701    HB2  LYS  93           2HB      LYS  93  -7.129   8.165 -11.109
  702    HB3  LYS  93           1HB      LYS  93  -6.724   9.877 -11.078
  703    HG2  LYS  93           2HG      LYS  93  -5.825   9.611 -13.404
  704    HG3  LYS  93           1HG      LYS  93  -6.498   7.980 -13.403
  705    HD2  LYS  93           2HD      LYS  93  -8.070  10.519 -12.980
  706    HD3  LYS  93           1HD      LYS  93  -7.990   9.611 -14.489
  707    HE2  LYS  93           2HE      LYS  93  -8.947   7.651 -13.303
  708    HE3  LYS  93           1HE      LYS  93  -9.117   8.652 -11.860
  709    HZ1  LYS  93           3HZ      LYS  93 -11.184   8.512 -13.122
  710    HZ2  LYS  93           1HZ      LYS  93 -10.419   9.182 -14.479
  711    HZ3  LYS  93           2HZ      LYS  93 -10.610  10.108 -13.072
  712    H    GLU  94           HN       GLU  94  -5.724   6.857  -9.279
  713    HA   GLU  94           HA       GLU  94  -5.856   8.486  -7.005
  714    HB2  GLU  94           2HB      GLU  94  -5.495   5.500  -7.251
  715    HB3  GLU  94           1HB      GLU  94  -5.850   6.334  -5.753
  716    HG2  GLU  94           2HG      GLU  94  -7.921   7.222  -6.952
  717    HG3  GLU  94           1HG      GLU  94  -7.595   5.978  -8.151
  718    H    LEU  95           HN       LEU  95  -3.304   6.247  -8.089
  719    HA   LEU  95           HA       LEU  95  -1.584   6.768  -5.899
  720    HB2  LEU  95           2HB      LEU  95  -1.124   5.589  -8.623
  721    HB3  LEU  95           1HB      LEU  95   0.187   5.811  -7.479
  722    HG   LEU  95           HG       LEU  95  -2.269   4.100  -7.013
  723   HD11  LEU  95          1HD1      LEU  95   0.602   3.359  -7.584
  724   HD12  LEU  95          2HD1      LEU  95  -0.771   3.122  -8.665
  725   HD13  LEU  95          3HD1      LEU  95  -0.680   2.229  -7.145
  726   HD21  LEU  95          3HD2      LEU  95  -1.108   3.375  -4.998
  727   HD22  LEU  95          1HD2      LEU  95  -1.401   5.114  -4.961
  728   HD23  LEU  95          2HD2      LEU  95   0.207   4.498  -5.336
  729    H    GLN  96           HN       GLN  96  -2.029   8.288  -9.012
  730    HA   GLN  96           HA       GLN  96   0.322   9.821  -9.100
  731    HB2  GLN  96           2HB      GLN  96  -1.217   9.491 -11.009
  732    HB3  GLN  96           1HB      GLN  96  -2.403  10.511 -10.209
  733    HG2  GLN  96           2HG      GLN  96  -0.910  12.411 -10.358
  734    HG3  GLN  96           1HG      GLN  96   0.332  11.398 -11.100
  735   HE21  GLN  96          1HE2      GLN  96   0.074  10.728 -13.238
  736   HE22  GLN  96          2HE2      GLN  96  -1.089  11.452 -14.292
  737    H    VAL  97           HN       VAL  97  -2.701  10.276  -7.390
  738    HA   VAL  97           HA       VAL  97  -2.411  12.982  -6.680
  739    HB   VAL  97           HB       VAL  97  -3.760  10.757  -5.129
  740   HG11  VAL  97          1HG1      VAL  97  -3.312  12.699  -3.708
  741   HG12  VAL  97          2HG1      VAL  97  -5.039  12.551  -4.038
  742   HG13  VAL  97          3HG1      VAL  97  -4.078  13.753  -4.898
  743   HG21  VAL  97          3HG2      VAL  97  -5.821  11.592  -6.154
  744   HG22  VAL  97          1HG2      VAL  97  -4.679  11.022  -7.374
  745   HG23  VAL  97          2HG2      VAL  97  -4.884  12.752  -7.093
  746    H    PHE  98           HN       PHE  98  -1.231  10.012  -5.164
  747    HA   PHE  98           HA       PHE  98  -0.195  11.246  -2.832
  748    HB2  PHE  98           2HB      PHE  98   0.628   8.645  -4.137
  749    HB3  PHE  98           1HB      PHE  98   1.028   9.141  -2.496
  750    HD1  PHE  98           1HD      PHE  98  -1.240   9.971  -1.178
  751    HD2  PHE  98           2HD      PHE  98  -1.007   7.065  -4.275
  752    HE1  PHE  98           1HE      PHE  98  -3.321   8.938  -0.360
  753    HE2  PHE  98           2HE      PHE  98  -3.087   6.029  -3.469
  754    HZ   PHE  98           HZ       PHE  98  -4.246   6.964  -1.506
  755    H    LEU  99           HN       LEU  99   1.110  10.593  -6.012
  756    HA   LEU  99           HA       LEU  99   3.818  11.069  -5.542
  757    HB2  LEU  99           2HB      LEU  99   2.155  11.596  -8.004
  758    HB3  LEU  99           1HB      LEU  99   3.904  11.696  -7.968
  759    HG   LEU  99           HG       LEU  99   2.328   9.194  -7.356
  760   HD11  LEU  99          1HD1      LEU  99   2.070   9.856  -9.694
  761   HD12  LEU  99          2HD1      LEU  99   3.066   8.410  -9.540
  762   HD13  LEU  99          3HD1      LEU  99   3.821   9.971  -9.857
  763   HD21  LEU  99          3HD2      LEU  99   4.497   9.265  -6.256
  764   HD22  LEU  99          1HD2      LEU  99   5.278   9.669  -7.784
  765   HD23  LEU  99          2HD2      LEU  99   4.513   8.093  -7.573
  766    H    ARG 100           HN       ARG 100   1.174  13.308  -6.128
  767    HA   ARG 100           HA       ARG 100   2.703  15.643  -6.533
  768    HB2  ARG 100           2HB      ARG 100   0.034  15.725  -5.176
  769    HB3  ARG 100           1HB      ARG 100   0.695  16.805  -6.389
  770    HG2  ARG 100           2HG      ARG 100   0.510  14.884  -8.009
  771    HG3  ARG 100           1HG      ARG 100  -0.441  14.062  -6.779
  772    HD2  ARG 100           2HD      ARG 100  -1.950  16.060  -6.740
  773    HD3  ARG 100           1HD      ARG 100  -1.073  16.672  -8.141
  774    HE   ARG 100           HE       ARG 100  -2.641  14.170  -8.118
  775   HH11  ARG 100          1HH1      ARG 100  -1.281  16.919  -9.793
  776   HH12  ARG 100          2HH1      ARG 100  -2.146  16.608 -11.277
  777   HH21  ARG 100          1HH2      ARG 100  -3.780  13.749 -10.072
  778   HH22  ARG 100          2HH2      ARG 100  -3.564  14.803 -11.433
  779    H    ARG 101           HN       ARG 101   1.212  14.216  -3.707
  780    HA   ARG 101           HA       ARG 101   2.030  16.181  -1.836
  781    HB2  ARG 101           2HB      ARG 101   1.054  13.355  -1.598
  782    HB3  ARG 101           1HB      ARG 101   1.686  14.184  -0.183
  783    HG2  ARG 101           2HG      ARG 101  -0.713  14.355  -0.234
  784    HG3  ARG 101           1HG      ARG 101  -0.000  15.946  -0.483
  785    HD2  ARG 101           2HD      ARG 101  -0.557  15.963  -2.758
  786    HD3  ARG 101           1HD      ARG 101  -0.836  14.221  -2.794
  787    HE   ARG 101           HE       ARG 101  -2.730  14.965  -1.099
  788   HH11  ARG 101          1HH1      ARG 101  -1.783  16.479  -4.121
  789   HH12  ARG 101          2HH1      ARG 101  -3.392  17.018  -4.501
  790   HH21  ARG 101          1HH2      ARG 101  -4.820  15.685  -1.580
  791   HH22  ARG 101          2HH2      ARG 101  -5.118  16.589  -3.036
  792    H    LEU 102           HN       LEU 102   3.490  13.173  -2.959
  793    HA   LEU 102           HA       LEU 102   5.585  13.054  -1.076
  794    HB2  LEU 102           2HB      LEU 102   4.716  11.265  -2.704
  795    HB3  LEU 102           1HB      LEU 102   5.731  12.031  -3.904
  796    HG   LEU 102           HG       LEU 102   6.672   9.980  -2.790
  797   HD11  LEU 102          1HD1      LEU 102   8.937  10.906  -2.547
  798   HD12  LEU 102          2HD1      LEU 102   8.258  12.533  -2.599
  799   HD13  LEU 102          3HD1      LEU 102   8.122  11.474  -4.002
  800   HD21  LEU 102          3HD2      LEU 102   7.656  10.246  -0.572
  801   HD22  LEU 102          1HD2      LEU 102   5.905  10.435  -0.530
  802   HD23  LEU 102          2HD2      LEU 102   6.944  11.857  -0.448
  803    H    ALA 103           HN       ALA 103   5.336  14.504  -4.286
  804    HA   ALA 103           HA       ALA 103   8.019  15.243  -4.609
  805    HB1  ALA 103           1HB      ALA 103   7.234  16.755  -6.335
  806    HB2  ALA 103           2HB      ALA 103   5.584  16.622  -5.728
  807    HB3  ALA 103           3HB      ALA 103   6.378  15.216  -6.436
  808    H    ARG 104           HN       ARG 104   5.402  16.810  -2.882
  809    HA   ARG 104           HA       ARG 104   6.489  19.379  -2.627
  810    HB2  ARG 104           2HB      ARG 104   4.791  17.878  -0.629
  811    HB3  ARG 104           1HB      ARG 104   5.054  19.615  -0.648
  812    HG2  ARG 104           2HG      ARG 104   3.939  19.756  -2.821
  813    HG3  ARG 104           1HG      ARG 104   3.664  18.012  -2.780
  814    HD2  ARG 104           2HD      ARG 104   2.417  18.320  -0.657
  815    HD3  ARG 104           1HD      ARG 104   2.589  20.061  -0.855
  816    HE   ARG 104           HE       ARG 104   1.445  19.126  -3.195
  817   HH11  ARG 104          1HH1      ARG 104   0.683  19.263   0.212
  818   HH12  ARG 104          2HH1      ARG 104  -1.041  19.238  -0.024
  819   HH21  ARG 104          1HH2      ARG 104  -0.843  19.120  -3.539
  820   HH22  ARG 104          2HH2      ARG 104  -1.904  19.190  -2.164
  821    H    GLU 105           HN       GLU 105   6.972  16.462  -0.700
  822    HA   GLU 105           HA       GLU 105   8.528  17.676   1.323
  823    HB2  GLU 105           2HB      GLU 105   8.475  14.793   0.419
  824    HB3  GLU 105           1HB      GLU 105   9.059  15.391   1.955
  825    HG2  GLU 105           2HG      GLU 105   6.226  15.450   0.969
  826    HG3  GLU 105           1HG      GLU 105   6.881  14.420   2.237
  827    H    ASP 106           HN       ASP 106   9.318  15.928  -1.647
  828    HA   ASP 106           HA       ASP 106  12.127  15.938  -1.363
  829    HB2  ASP 106           2HB      ASP 106  11.037  14.522  -3.004
  830    HB3  ASP 106           1HB      ASP 106  10.411  15.923  -3.852
  831    H    ALA 107           HN       ALA 107   9.905  18.107  -2.980
  832    HA   ALA 107           HA       ALA 107  11.662  19.862  -4.186
  833    HB1  ALA 107           1HB      ALA 107   9.853  21.469  -4.235
  834    HB2  ALA 107           2HB      ALA 107   9.006  20.591  -2.961
  835    HB3  ALA 107           3HB      ALA 107   9.229  19.847  -4.545
  836    H    LEU 108           HN       LEU 108  10.809  19.667  -0.800
  837    HA   LEU 108           HA       LEU 108  11.514  22.199   0.084
  838    HB2  LEU 108           2HB      LEU 108  11.863  19.532   1.454
  839    HB3  LEU 108           1HB      LEU 108  12.000  21.080   2.247
  840    HG   LEU 108           HG       LEU 108   9.513  20.007   0.958
  841   HD11  LEU 108          1HD1      LEU 108  10.095  18.824   3.004
  842   HD12  LEU 108          2HD1      LEU 108   8.669  19.836   3.243
  843   HD13  LEU 108          3HD1      LEU 108  10.236  20.362   3.858
  844   HD21  LEU 108          3HD2      LEU 108   9.998  22.544   2.509
  845   HD22  LEU 108          1HD2      LEU 108   8.415  21.946   2.010
  846   HD23  LEU 108          2HD2      LEU 108   9.601  22.423   0.795
  847    H    GLU 109           HN       GLU 109  13.579  19.359  -0.453
  848    HA   GLU 109           HA       GLU 109  15.929  21.020   0.079
  849    HB2  GLU 109           2HB      GLU 109  15.607  18.029  -0.078
  850    HB3  GLU 109           1HB      GLU 109  17.171  18.826   0.041
  851    HG2  GLU 109           2HG      GLU 109  15.492  19.858   2.084
  852    HG3  GLU 109           1HG      GLU 109  15.391  18.101   2.115
  853    H    HIS 110           HN       HIS 110  14.043  20.185  -2.385
  854    HA   HIS 110           HA       HIS 110  16.213  19.912  -4.350
  855    HB2  HIS 110           2HB      HIS 110  13.898  18.488  -4.135
  856    HB3  HIS 110           1HB      HIS 110  13.412  19.737  -5.274
  857    HD1  HIS 110           1HD      HIS 110  13.915  16.577  -5.757
  858    HD2  HIS 110           2HD      HIS 110  16.314  19.755  -6.976
  859    HE1  HIS 110           1HE      HIS 110  15.263  15.711  -7.697
  860    HE2  HIS 110           2HE      HIS 110  16.534  17.708  -8.555
  861    H    HIS 111           HN       HIS 111  14.757  22.311  -2.854
  862    HA   HIS 111           HA       HIS 111  13.765  24.028  -4.844
  863    HB2  HIS 111           2HB      HIS 111  15.012  24.538  -2.151
  864    HB3  HIS 111           1HB      HIS 111  14.535  25.866  -3.194
  865    HD1  HIS 111           1HD      HIS 111  13.327  24.635  -0.336
  866    HD2  HIS 111           2HD      HIS 111  11.592  24.829  -4.114
  867    HE1  HIS 111           1HE      HIS 111  10.845  24.567   0.052
  868    HE2  HIS 111           2HE      HIS 111   9.815  24.860  -2.228
  869    H    HIS 112           HN       HIS 112  17.017  23.223  -3.912
  870    HA   HIS 112           HA       HIS 112  18.253  25.516  -5.091
  871    HB2  HIS 112           2HB      HIS 112  19.495  22.848  -4.370
  872    HB3  HIS 112           1HB      HIS 112  20.365  24.340  -4.706
  873    HD1  HIS 112           1HD      HIS 112  20.525  26.070  -2.825
  874    HD2  HIS 112           2HD      HIS 112  18.234  22.735  -1.849
  875    HE1  HIS 112           1HE      HIS 112  20.116  26.222  -0.343
  876    HE2  HIS 112           2HE      HIS 112  18.596  24.277   0.192
  877    H    HIS 113           HN       HIS 113  18.205  22.075  -5.973
  878    HA   HIS 113           HA       HIS 113  18.393  20.991  -7.943
  879    HB2  HIS 113           2HB      HIS 113  16.226  22.028  -8.354
  880    HB3  HIS 113           1HB      HIS 113  17.006  23.473  -8.978
  881    HD1  HIS 113           1HD      HIS 113  17.950  19.920  -9.986
  882    HD2  HIS 113           2HD      HIS 113  16.114  23.313 -11.549
  883    HE1  HIS 113           1HE      HIS 113  17.617  19.450 -12.429
  884    HE2  HIS 113           2HE      HIS 113  16.269  21.398 -13.281
  885    H    HIS 114           HN       HIS 114  20.753  21.552  -7.480
  886    HA   HIS 114           HA       HIS 114  21.982  23.116  -9.592
  887    HB2  HIS 114           2HB      HIS 114  23.039  22.832  -7.316
  888    HB3  HIS 114           1HB      HIS 114  23.290  21.135  -7.707
  889    HD1  HIS 114           1HD      HIS 114  25.515  20.616  -8.656
  890    HD2  HIS 114           2HD      HIS 114  24.414  24.571  -9.347
  891    HE1  HIS 114           1HE      HIS 114  27.490  21.686  -9.792
  892    HE2  HIS 114           2HE      HIS 114  26.746  24.030 -10.335
  893    H    HIS 115           HN       HIS 115  21.256  19.831  -8.729
  894    HA   HIS 115           HA       HIS 115  21.030  19.105 -11.504
  895    HB2  HIS 115           2HB      HIS 115  23.113  17.875  -9.723
  896    HB3  HIS 115           1HB      HIS 115  22.280  16.859 -10.892
  897    HD1  HIS 115           1HD      HIS 115  25.379  17.907 -10.794
  898    HD2  HIS 115           2HD      HIS 115  22.340  19.005 -13.411
  899    HE1  HIS 115           1HE      HIS 115  26.537  18.786 -12.848
  900    HE2  HIS 115           2HE      HIS 115  24.677  19.652 -14.314