*HEADER    TRANSPORT PROTEIN                       05-DEC-11   2LML              
*TITLE     SOLUTION NMR STRUCTURE OF HOLO ACYL CARRIER PROTEIN FROM GEOBACTER    
*TITLE    2 METALLIREDUCENS REFINED WITH NH RDCS, NORTHEAST STRUCTURAL GENOMICS  
*TITLE    3 CONSORTIUM TARGET GMR141                                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PUTATIVE ACYL CARRIER PROTEIN;                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: GEOBACTER METALLIREDUCENS;                      
*SOURCE   3 ORGANISM_TAXID: 269799;                                              
*SOURCE   4 STRAIN: GS-15 / ATCC 53774 / DSM 7210;                               
*SOURCE   5 GENE: GMET_2339;                                                     
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PET 21-23C;                                
*SOURCE   9 OTHER_DETAILS: GMR141-21.1                                           
*KEYWDS    STRUCTURAL GENOMICS, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM, NESG,  
*KEYWDS   2 TRANSPORT PROTEIN                                                    
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    T.A.RAMELOT, M.J.SMOLA, H.LEE, L.ZHAO, C.CICCOSANTI, E.L.FOOTE,       
*AUTHOR   2 K.HAMILTON, R.NAIR, B.ROST, G.SWAPNA, T.B.ACTON, R.XIAO,             
*AUTHOR   3 J.K.EVERETT, J.H.PRESTEGARD, G.T.MONTELIONE, M.A.KENNEDY, NORTHEAST  
*AUTHOR   4 STRUCTURAL GENOMICS CONSORTIUM (NESG)                                
*REVDAT   1   25-JAN-12 2LML    0                                                


assign (resid    2 and name C    ) (resid    3 and name N    )
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assign (resid    3 and name N    ) (resid    3 and name CA   )
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assign (resid    3 and name C    ) (resid    4 and name N    )
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assign (resid    4 and name N    ) (resid    4 and name CA   )
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assign (resid    4 and name C    ) (resid    5 and name N    )
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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    )
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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    7 and name C    ) (resid    8 and name N    )
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assign (resid    8 and name N    ) (resid    8 and name CA   )
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assign (resid    8 and name C    ) (resid    9 and name N    )
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assign (resid    9 and name N    ) (resid    9 and name CA   )
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assign (resid    9 and name C    ) (resid   10 and name N    )
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assign (resid   10 and name N    ) (resid   10 and name CA   )
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assign (resid   10 and name C    ) (resid   11 and name N    )
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assign (resid   11 and name N    ) (resid   11 and name CA   )
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assign (resid   11 and name C    ) (resid   12 and name N    )
       (resid   12 and name CA   ) (resid   12 and name C    )    1.0  -59.8   20.0 2
assign (resid   12 and name N    ) (resid   12 and name CA   )
       (resid   12 and name C    ) (resid   13 and name N    )    1.0  -40.5   20.0 2
assign (resid   12 and name C    ) (resid   13 and name N    )
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assign (resid   13 and name N    ) (resid   13 and name CA   )
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assign (resid   13 and name C    ) (resid   14 and name N    )
       (resid   14 and name CA   ) (resid   14 and name C    )    1.0  -62.9   20.0 2
assign (resid   14 and name N    ) (resid   14 and name CA   )
       (resid   14 and name C    ) (resid   15 and name N    )    1.0  -33.6   20.0 2
assign (resid   14 and name C    ) (resid   15 and name N    )
       (resid   15 and name CA   ) (resid   15 and name C    )    1.0  -90.9   30.2 2
assign (resid   15 and name N    ) (resid   15 and name CA   )
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assign (resid   39 and name N    ) (resid   39 and name CA   )
       (resid   39 and name C    ) (resid   40 and name N    )    1.0  -44.0   20.0 2
assign (resid   39 and name C    ) (resid   40 and name N    )
       (resid   40 and name CA   ) (resid   40 and name C    )    1.0  -59.8   20.0 2
assign (resid   40 and name N    ) (resid   40 and name CA   )
       (resid   40 and name C    ) (resid   41 and name N    )    1.0  -38.8   26.3 2
assign (resid   40 and name C    ) (resid   41 and name N    )
       (resid   41 and name CA   ) (resid   41 and name C    )    1.0  -65.2   20.0 2
assign (resid   41 and name N    ) (resid   41 and name CA   )
       (resid   41 and name C    ) (resid   42 and name N    )    1.0  -40.2   20.0 2
assign (resid   41 and name C    ) (resid   42 and name N    )
       (resid   42 and name CA   ) (resid   42 and name C    )    1.0  -59.6   20.0 2
assign (resid   42 and name N    ) (resid   42 and name CA   )
       (resid   42 and name C    ) (resid   43 and name N    )    1.0  -46.9   20.0 2
assign (resid   42 and name C    ) (resid   43 and name N    )
       (resid   43 and name CA   ) (resid   43 and name C    )    1.0  -62.9   20.0 2
assign (resid   43 and name N    ) (resid   43 and name CA   )
       (resid   43 and name C    ) (resid   44 and name N    )    1.0  -42.2   20.0 2
assign (resid   43 and name C    ) (resid   44 and name N    )
       (resid   44 and name CA   ) (resid   44 and name C    )    1.0  -62.2   20.0 2
assign (resid   44 and name N    ) (resid   44 and name CA   )
       (resid   44 and name C    ) (resid   45 and name N    )    1.0  -42.2   20.0 2
assign (resid   44 and name C    ) (resid   45 and name N    )
       (resid   45 and name CA   ) (resid   45 and name C    )    1.0  -62.2   20.0 2
assign (resid   45 and name N    ) (resid   45 and name CA   )
       (resid   45 and name C    ) (resid   46 and name N    )    1.0  -42.5   20.0 2
assign (resid   45 and name C    ) (resid   46 and name N    )
       (resid   46 and name CA   ) (resid   46 and name C    )    1.0  -66.8   20.0 2
assign (resid   46 and name N    ) (resid   46 and name CA   )
       (resid   46 and name C    ) (resid   47 and name N    )    1.0  -40.4   20.0 2
assign (resid   46 and name C    ) (resid   47 and name N    )
       (resid   47 and name CA   ) (resid   47 and name C    )    1.0  -65.8   20.0 2
assign (resid   47 and name N    ) (resid   47 and name CA   )
       (resid   47 and name C    ) (resid   48 and name N    )    1.0  -39.4   20.0 2
assign (resid   47 and name C    ) (resid   48 and name N    )
       (resid   48 and name CA   ) (resid   48 and name C    )    1.0  -64.8   20.0 2
assign (resid   48 and name N    ) (resid   48 and name CA   )
       (resid   48 and name C    ) (resid   49 and name N    )    1.0  -39.5   20.0 2
assign (resid   48 and name C    ) (resid   49 and name N    )
       (resid   49 and name CA   ) (resid   49 and name C    )    1.0  -68.2   20.0 2
assign (resid   49 and name N    ) (resid   49 and name CA   )
       (resid   49 and name C    ) (resid   50 and name N    )    1.0  -42.5   20.0 2
assign (resid   49 and name C    ) (resid   50 and name N    )
       (resid   50 and name CA   ) (resid   50 and name C    )    1.0  -90.7   20.0 2
assign (resid   50 and name N    ) (resid   50 and name CA   )
       (resid   50 and name C    ) (resid   51 and name N    )    1.0   -2.6   20.0 2
assign (resid   50 and name C    ) (resid   51 and name N    )
       (resid   51 and name CA   ) (resid   51 and name C    )    1.0   63.0   21.9 2
assign (resid   51 and name N    ) (resid   51 and name CA   )
       (resid   51 and name C    ) (resid   52 and name N    )    1.0   40.3   39.8 2
assign (resid   51 and name C    ) (resid   52 and name N    )
       (resid   52 and name CA   ) (resid   52 and name C    )    1.0 -135.5   36.7 2
assign (resid   52 and name N    ) (resid   52 and name CA   )
       (resid   52 and name C    ) (resid   53 and name N    )    1.0  164.4   33.5 2
assign (resid   52 and name C    ) (resid   53 and name N    )
       (resid   53 and name CA   ) (resid   53 and name C    )    1.0 -123.5   43.4 2
assign (resid   53 and name N    ) (resid   53 and name CA   )
       (resid   53 and name C    ) (resid   54 and name N    )    1.0  134.5   27.9 2
assign (resid   53 and name C    ) (resid   54 and name N    )
       (resid   54 and name CA   ) (resid   54 and name C    )    1.0 -100.4   30.8 2
assign (resid   54 and name N    ) (resid   54 and name CA   )
       (resid   54 and name C    ) (resid   55 and name N    )    1.0  129.0   26.7 2
assign (resid   54 and name C    ) (resid   55 and name N    )
       (resid   55 and name CA   ) (resid   55 and name C    )    1.0  -91.4   20.0 2
assign (resid   55 and name N    ) (resid   55 and name CA   )
       (resid   55 and name C    ) (resid   56 and name N    )    1.0  139.7   69.5 2
assign (resid   55 and name C    ) (resid   56 and name N    )
       (resid   56 and name CA   ) (resid   56 and name C    )    1.0  -59.5   20.0 2
assign (resid   56 and name N    ) (resid   56 and name CA   )
       (resid   56 and name C    ) (resid   57 and name N    )    1.0  -34.2   20.9 2
assign (resid   56 and name C    ) (resid   57 and name N    )
       (resid   57 and name CA   ) (resid   57 and name C    )    1.0  -58.2   20.0 2
assign (resid   57 and name N    ) (resid   57 and name CA   )
       (resid   57 and name C    ) (resid   58 and name N    )    1.0  -38.7   20.0 2
assign (resid   57 and name C    ) (resid   58 and name N    )
       (resid   58 and name CA   ) (resid   58 and name C    )    1.0  -65.9   20.0 2
assign (resid   58 and name N    ) (resid   58 and name CA   )
       (resid   58 and name C    ) (resid   59 and name N    )    1.0  -39.1   20.0 2
assign (resid   58 and name C    ) (resid   59 and name N    )
       (resid   59 and name CA   ) (resid   59 and name C    )    1.0  -62.9   20.0 2
assign (resid   59 and name N    ) (resid   59 and name CA   )
       (resid   59 and name C    ) (resid   60 and name N    )    1.0  -35.9   20.0 2
assign (resid   59 and name C    ) (resid   60 and name N    )
       (resid   60 and name CA   ) (resid   60 and name C    )    1.0  -68.2   22.6 2
assign (resid   62 and name C    ) (resid   63 and name N    )
       (resid   63 and name CA   ) (resid   63 and name C    )    1.0  -83.6   32.0 2
assign (resid   63 and name N    ) (resid   63 and name CA   )
       (resid   63 and name C    ) (resid   64 and name N    )    1.0  -35.0   32.9 2
assign (resid   63 and name C    ) (resid   64 and name N    )
       (resid   64 and name CA   ) (resid   64 and name C    )    1.0 -152.9   30.5 2
assign (resid   64 and name N    ) (resid   64 and name CA   )
       (resid   64 and name C    ) (resid   65 and name N    )    1.0  170.5   20.0 2
assign (resid   64 and name C    ) (resid   65 and name N    )
       (resid   65 and name CA   ) (resid   65 and name C    )    1.0  -60.6   23.9 2
assign (resid   65 and name N    ) (resid   65 and name CA   )
       (resid   65 and name C    ) (resid   66 and name N    )    1.0  -32.5   24.5 2
assign (resid   65 and name C    ) (resid   66 and name N    )
       (resid   66 and name CA   ) (resid   66 and name C    )    1.0  -62.3   20.0 2
assign (resid   66 and name N    ) (resid   66 and name CA   )
       (resid   66 and name C    ) (resid   67 and name N    )    1.0  -43.1   20.0 2
assign (resid   66 and name C    ) (resid   67 and name N    )
       (resid   67 and name CA   ) (resid   67 and name C    )    1.0  -62.8   20.0 2
assign (resid   67 and name N    ) (resid   67 and name CA   )
       (resid   67 and name C    ) (resid   68 and name N    )    1.0  -40.9   20.0 2
assign (resid   67 and name C    ) (resid   68 and name N    )
       (resid   68 and name CA   ) (resid   68 and name C    )    1.0  -65.0   20.0 2
assign (resid   68 and name N    ) (resid   68 and name CA   )
       (resid   68 and name C    ) (resid   69 and name N    )    1.0  -43.4   20.0 2
assign (resid   68 and name C    ) (resid   69 and name N    )
       (resid   69 and name CA   ) (resid   69 and name C    )    1.0  -60.9   20.0 2
assign (resid   69 and name N    ) (resid   69 and name CA   )
       (resid   69 and name C    ) (resid   70 and name N    )    1.0  -41.6   20.0 2
assign (resid   69 and name C    ) (resid   70 and name N    )
       (resid   70 and name CA   ) (resid   70 and name C    )    1.0  -64.2   20.0 2
assign (resid   70 and name N    ) (resid   70 and name CA   )
       (resid   70 and name C    ) (resid   71 and name N    )    1.0  -40.9   20.0 2
assign (resid   70 and name C    ) (resid   71 and name N    )
       (resid   71 and name CA   ) (resid   71 and name C    )    1.0  -72.4   32.4 2
assign (resid   71 and name N    ) (resid   71 and name CA   )
       (resid   71 and name C    ) (resid   72 and name N    )    1.0  -38.6   24.0 2
assign (resid   71 and name C    ) (resid   72 and name N    )
       (resid   72 and name CA   ) (resid   72 and name C    )    1.0  -65.9   20.0 2
assign (resid   72 and name N    ) (resid   72 and name CA   )
       (resid   72 and name C    ) (resid   73 and name N    )    1.0  -40.7   20.0 2
assign (resid   72 and name C    ) (resid   73 and name N    )
       (resid   73 and name CA   ) (resid   73 and name C    )    1.0  -62.5   20.0 2
assign (resid   73 and name N    ) (resid   73 and name CA   )
       (resid   73 and name C    ) (resid   74 and name N    )    1.0  -41.7   20.0 2
assign (resid   73 and name C    ) (resid   74 and name N    )
       (resid   74 and name CA   ) (resid   74 and name C    )    1.0  -65.1   20.0 2
assign (resid   74 and name N    ) (resid   74 and name CA   )
       (resid   74 and name C    ) (resid   75 and name N    )    1.0  -43.1   20.0 2
assign (resid   74 and name C    ) (resid   75 and name N    )
       (resid   75 and name CA   ) (resid   75 and name C    )    1.0  -64.9   20.0 2
assign (resid   75 and name N    ) (resid   75 and name CA   )
       (resid   75 and name C    ) (resid   76 and name N    )    1.0  -41.6   20.0 2
assign (resid   75 and name C    ) (resid   76 and name N    )
       (resid   76 and name CA   ) (resid   76 and name C    )    1.0  -68.0   20.0 2
assign (resid   76 and name N    ) (resid   76 and name CA   )
       (resid   76 and name C    ) (resid   77 and name N    )    1.0  -38.4   20.0 2
assign (resid   76 and name C    ) (resid   77 and name N    )
       (resid   77 and name CA   ) (resid   77 and name C    )    1.0  -64.3   20.0 2
assign (resid   77 and name N    ) (resid   77 and name CA   )
       (resid   77 and name C    ) (resid   78 and name N    )    1.0  -41.5   20.0 2
assign (resid   77 and name C    ) (resid   78 and name N    )
       (resid   78 and name CA   ) (resid   78 and name C    )    1.0  -64.0   30.0 2
assign (resid   78 and name N    ) (resid   78 and name CA   )
       (resid   78 and name C    ) (resid   79 and name N    )    1.0  -41.0   30.0 2
assign (resid   78 and name C    ) (resid   79 and name N    )
       (resid   79 and name CA   ) (resid   79 and name C    )    1.0  -61.4   30.0 2
assign (resid   79 and name N    ) (resid   79 and name CA   )
       (resid   79 and name C    ) (resid   80 and name N    )    1.0  -38.6   30.7 2
! GmR141 hydrogen bonds in xplor/cns format                     

assign (resid   34      and name HE1    )(resid  39     and name ND1    ) 1.7  0.0  0.6
assign (resid   34      and name NE1    )(resid  39     and name ND1    ) 2.7  0.0  0.6
assign (resid   11      and name HN     )(resid  7      and name O      ) 1.7  0.0  0.6
assign (resid   11      and name N      )(resid  7      and name O      ) 2.7  0.0  0.6
assign (resid   12      and name HN     )(resid  8      and name O      ) 1.7  0.0  0.6
assign (resid   12      and name N      )(resid  8      and name O      ) 2.7  0.0  0.6
assign (resid   13      and name HN     )(resid  9      and name O      ) 1.7  0.0  0.6
assign (resid   13      and name N      )(resid  9      and name O      ) 2.7  0.0  0.6
assign (resid   14      and name HN     )(resid  10     and name O      ) 1.7  0.0  0.6
assign (resid   14      and name N      )(resid  10     and name O      ) 2.7  0.0  0.6
assign (resid   15      and name HN     )(resid  11     and name O      ) 1.7  0.0  0.6
assign (resid   15      and name N      )(resid  11     and name O      ) 2.7  0.0  0.6
assign (resid   43      and name HN     )(resid  39     and name O      ) 1.7  0.0  0.6
assign (resid   43      and name N      )(resid  39     and name O      ) 2.7  0.0  0.6
assign (resid   44      and name HN     )(resid  40     and name O      ) 1.7  0.0  0.6
assign (resid   44      and name N      )(resid  40     and name O      ) 2.7  0.0  0.6
assign (resid   45      and name HN     )(resid  41     and name O      ) 1.7  0.0  0.6
assign (resid   45      and name N      )(resid  41     and name O      ) 2.7  0.0  0.6
assign (resid   46      and name HN     )(resid  42     and name O      ) 1.7  0.0  0.6
assign (resid   46      and name N      )(resid  42     and name O      ) 2.7  0.0  0.6
assign (resid   47      and name HN     )(resid  43     and name O      ) 1.7  0.0  0.6
assign (resid   47      and name N      )(resid  43     and name O      ) 2.7  0.0  0.6
assign (resid   48      and name HN     )(resid  44     and name O      ) 1.7  0.0  0.6
assign (resid   48      and name N      )(resid  44     and name O      ) 2.7  0.0  0.6
assign (resid   49      and name HN     )(resid  45     and name O      ) 1.7  0.0  0.6
assign (resid   49      and name N      )(resid  45     and name O      ) 2.7  0.0  0.6
assign (resid   50      and name HN     )(resid  46     and name O      ) 1.7  0.0  0.6
assign (resid   50      and name N      )(resid  46     and name O      ) 2.7  0.0  0.6
assign (resid   59      and name HN     )(resid  55     and name O      ) 1.7  0.0  0.6
assign (resid   59      and name N      )(resid  55     and name O      ) 2.7  0.0  0.6
assign (resid   60      and name HN     )(resid  56     and name O      ) 1.7  0.0  0.6
assign (resid   60      and name N      )(resid  56     and name O      ) 2.7  0.0  0.6
assign (resid   69      and name HN     )(resid  65     and name O      ) 1.7  0.0  0.6
assign (resid   69      and name N      )(resid  65     and name O      ) 2.7  0.0  0.6
assign (resid   70      and name HN     )(resid  66     and name O      ) 1.7  0.0  0.6
assign (resid   70      and name N      )(resid  66     and name O      ) 2.7  0.0  0.6
assign (resid   71      and name HN     )(resid  67     and name O      ) 1.7  0.0  0.6
assign (resid   71      and name N      )(resid  67     and name O      ) 2.7  0.0  0.6
assign (resid   72      and name HN     )(resid  68     and name O      ) 1.7  0.0  0.6
assign (resid   72      and name N      )(resid  68     and name O      ) 2.7  0.0  0.6
assign (resid   73      and name HN     )(resid  69     and name O      ) 1.7  0.0  0.6
assign (resid   73      and name N      )(resid  69     and name O      ) 2.7  0.0  0.6
assign (resid   74      and name HN     )(resid  70     and name O      ) 1.7  0.0  0.6
assign (resid   74      and name N      )(resid  70     and name O      ) 2.7  0.0  0.6
assign (resid   75      and name HN     )(resid  71     and name O      ) 1.7  0.0  0.6
assign (resid   75      and name N      )(resid  71     and name O      ) 2.7  0.0  0.6
assign (resid   76      and name HN     )(resid  72     and name O      ) 1.7  0.0  0.6
assign (resid   76      and name N      )(resid  72     and name O      ) 2.7  0.0  0.6
assign (resid   77      and name HN     )(resid  73     and name O      ) 1.7  0.0  0.6
assign (resid   77      and name N      )(resid  73     and name O      ) 2.7  0.0  0.6
assign (resid   78      and name HN     )(resid  74     and name O      ) 1.7  0.0  0.6
assign (resid   78      and name N      )(resid  74     and name O      ) 2.7  0.0  0.6
assign (resid   79      and name HN     )(resid  75     and name O      ) 1.7  0.0  0.6
assign (resid   79      and name N      )(resid  75     and name O      ) 2.7  0.0  0.6

REMARKS intermolecular NOEs between protein and PNS
assign (resid   28     and name  HN    )(resid   999    and name  H31*    )  1.8 0.0 3.2
assign (resid   28     and name  HB*   )(resid   999    and name  H31*    )  1.8 0.0 1.2
assign (resid   28     and name  HB*   )(resid   999    and name  H30*    )  1.8 0.0 0.7
assign (resid   28     and name  HB*   )(resid   999    and name  H36     )  1.8 0.0 3.2
assign (resid   28     and name  HB*   )(resid   999    and name  H37*    )  1.8 0.0 3.2
assign (resid   28     and name  HB*   )(resid   999    and name  H38*    )  1.8 0.0 3.2
assign (resid   28     and name  HB*   )(resid   999    and name  H41     )  1.8 0.0 3.2
assign (resid   34     and name  HD1   )(resid   999    and name  H31*    )  1.8 0.0 3.2
assign (resid   36     and name  HA    )(resid   999    and name  H28*    )  1.8 0.0 2.2
assign (resid   36     and name  HA    )(resid   999    and name  H31*    )  1.8 0.0 1.7
assign (resid   36     and name  HA    )(resid   999    and name  H30*    )  1.8 0.0 3.2 
assign (resid   36     and name  HN    )(resid   999    and name  H31*    )  1.8 0.0 4.2
assign (resid   36     and name  HB*   )(resid   999    and name  H28*    )  1.8 0.0 3.2
assign (resid   39     and name  HB*   )(resid   999    and name  H31*    )  1.8 0.0 3.2
assign (resid   39     and name  HB*   )(resid   999    and name  H30*    )  1.8 0.0 4.2
assign (resid   39     and name  HD2   )(resid   999    and name  H30*    )  1.8 0.0 3.2
assign (resid   39     and name  HE1   )(resid   999    and name  H31*    )  1.8 0.0 3.2
assign (resid   39     and name  HE1   )(resid   999    and name  H30*    )  1.8 0.0 3.2
assign (resid   63     and name  HA    )(resid   999    and name  H38*    )  1.8 0.0 1.2
assign (resid   63     and name  HA    )(resid   999    and name  H41     )  1.8 0.0 1.2
assign (resid   64     and name  HA    )(resid   999    and name  H42*    )  1.8 0.0 2.2
assign (resid   64     and name  HA    )(resid   999    and name  H431    )  1.8 0.0 1.2
assign (resid   64     and name  HA    )(resid   999    and name  H432    )  1.8 0.0 1.2

REMARKS intramolecular PNS NOEs
REMARKS HN
assign (resid   999    and name  H41   )(resid   999    and name  H30*    )  1.8 0.0 2.2
assign (resid   999    and name  H41   )(resid   999    and name  H37*    )  1.8 0.0 3.2
assign (resid   999    and name  H41   )(resid   999    and name  H38*    )  1.8 0.0 2.2
assign (resid   999    and name  H41   )(resid   999    and name  H421    )  1.8 0.0 1.2
assign (resid   999    and name  H41   )(resid   999    and name  H422    )  1.8 0.0 1.2
assign (resid   999    and name  H41   )(resid   999    and name  H43*    )  1.8 0.0 2.2

assign (resid   999    and name  H36   )(resid   999    and name  H31*    )  1.8 0.0 3.7
assign (resid   999    and name  H36   )(resid   999    and name  H30*    )  1.8 0.0 1.2
assign (resid   999    and name  H36   )(resid   999    and name  H32     )  1.8 0.0 2.2
assign (resid   999    and name  H36   )(resid   999    and name  H371    )  1.8 0.0 1.2
assign (resid   999    and name  H36   )(resid   999    and name  H372    )  1.8 0.0 1.2
assign (resid   999    and name  H36   )(resid   999    and name  H38*    )  1.8 0.0 1.2

REMARKS OTHER intramolecular PNS NOEs
assign (resid   999    and name  H28*  )(resid   999    and name  H31*    )  1.8 0.0 2.2
assign (resid   999    and name  H281  )(resid   999    and name  H30*    )  1.8 0.0 1.7
assign (resid   999    and name  H282  )(resid   999    and name  H30*    )  1.8 0.0 1.7
assign (resid   999    and name  H31*  )(resid   999    and name  H32     )  1.8 0.0 1.7
assign (resid   999    and name  H30*  )(resid   999    and name  H32     )  1.8 0.0 2.2
assign (resid   999    and name  H30*  )(resid   999    and name  H421    )  1.8 0.0 2.2
assign (resid   999    and name  H30*  )(resid   999    and name  H422    )  1.8 0.0 2.2
assign (resid   999    and name  H30*  )(resid   999    and name  H43*    )  1.8 0.0 3.2
assign (resid   999    and name  H42*  )(resid   999    and name  H43*    )  1.8 0.0 3.2

REMARKS intramolecular protein NOEs
assign (resid   2  and name  HB* )(resid   76  and name  HD1*  )  1.8 0.0 6.0
assign (resid   2  and name  HB* )(resid   6  and name  HB*  )  1.8 0.0 3.61
assign (resid   2  and name  HD* )(resid   69  and name  HB*  )  1.8 0.0 4.76
assign (resid   2  and name  HD* )(resid   72  and name  HG1*  )  1.8 0.0 6.0
assign (resid   2  and name  HD* )(resid   72  and name  HG2*  )  1.8 0.0 6.0
assign (resid   2  and name  HD* )(resid   73  and name  HN  )  1.8 0.0 6.0
assign (resid   2  and name  HG* )(resid   72  and name  HG1*  )  1.8 0.0 6.00
assign (resid   3  and name  HA )(resid   3  and name  HG2*  )  1.8 0.0 1.59
assign (resid   3  and name  HA )(resid   6  and name  HB*  )  1.8 0.0 3.26
assign (resid   3  and name  HA )(resid   6  and name  HN  )  1.8 0.0 4.25
assign (resid   3  and name  HB )(resid   4  and name  HN  )  1.8 0.0 2.83
assign (resid   3  and name  HB )(resid   5  and name  HN  )  1.8 0.0 4.75
assign (resid   3  and name  HB )(resid   69  and name  HB*  )  1.8 0.0 3.20
assign (resid   3  and name  HG2* )(resid   4  and name  HN  )  1.8 0.0 3.56
assign (resid   3  and name  HG2* )(resid   6  and name  HB*  )  1.8 0.0 4.94
assign (resid   3  and name  HG2* )(resid   6  and name  HN  )  1.8 0.0 4.25
assign (resid   3  and name  HG2* )(resid   7  and name  HD1*  )  1.8 0.0 3.23
assign (resid   3  and name  HG2* )(resid   7  and name  HG  )  1.8 0.0 4.4
assign (resid   3  and name  HG2* )(resid   69  and name  HA  )  1.8 0.0 2.61
assign (resid   3  and name  HG2* )(resid   69  and name  HB*  )  1.8 0.0 3.41
assign (resid   3  and name  HG2* )(resid   72  and name  HB  )  1.8 0.0 2.71
assign (resid   3  and name  HG2* )(resid   72  and name  HG1*  )  1.8 0.0 4.2
assign (resid   4  and name  HA )(resid   4  and name  HD1*  )  1.8 0.0 2.48
assign (resid   4  and name  HA )(resid   4  and name  HD2*  )  1.8 0.0 2.48
assign (resid   4  and name  HA )(resid   7  and name  HD1*  )  1.8 0.0 3.57
assign (resid   4  and name  HA )(resid   7  and name  HN  )  1.8 0.0 2.56
assign (resid   4  and name  HA )(resid   65  and name  HG1*  )  1.8 0.0 3.48
assign (resid   4  and name  HA )(resid   69  and name  HB*  )  1.8 0.0 4.2 
assign (resid   4  and name  HB* )(resid   4  and name  HD2*  )  1.8 0.0 1.85
assign (resid   4  and name  HB* )(resid   6  and name  HN  )  1.8 0.0 4.12
assign (resid   4  and name  HB1 )(resid   4  and name  HD1*  )  1.8 0.0 2.14
assign (resid   4  and name  HB2 )(resid   4  and name  HD1*  )  1.8 0.0 2.14
assign (resid   4  and name  HD1* )(resid   22  and name  HB*  )  1.8 0.0 2.2
assign (resid   4  and name  HD1* )(resid   22  and name  HD1*  )  1.8 0.0 3.21
assign (resid   4  and name  HD1* )(resid   23  and name  HA  )  1.8 0.0 2.62
assign (resid   4  and name  HD1* )(resid   23  and name  HB  )  1.8 0.0 4.27
assign (resid   4  and name  HD1* )(resid   23  and name  HG2*  )  1.8 0.0 5.21
assign (resid   4  and name  HD1* )(resid   24  and name  HA  )  1.8 0.0 2.89
assign (resid   4  and name  HD1* )(resid   24  and name  HG*  )  1.8 0.0 3.56
assign (resid   4  and name  HD1* )(resid   24  and name  HN  )  1.8 0.0 3.65
assign (resid   4  and name  HD1* )(resid   69  and name  HB*  )  1.8 0.0 3.21
assign (resid   4  and name  HD2* )(resid   22  and name  HB1  )  1.8 0.0 3.53
assign (resid   4  and name  HD2* )(resid   22  and name  HB2  )  1.8 0.0 3.53
assign (resid   4  and name  HD2* )(resid   22  and name  HD1*  )  1.8 0.0 3.2
assign (resid   4  and name  HD2* )(resid   23  and name  HA  )  1.8 0.0 3.20
assign (resid   4  and name  HD2* )(resid   23  and name  HG2*  )  1.8 0.0 4.65
assign (resid   4  and name  HD2* )(resid   24  and name  HA  )  1.8 0.0 2.73
assign (resid   4  and name  HD2* )(resid   24  and name  HG*  )  1.8 0.0 3.18
assign (resid   4  and name  HD2* )(resid   24  and name  HN  )  1.8 0.0 3.03
assign (resid   4  and name  HD2* )(resid   65  and name  HB  )  1.8 0.0 3.48
assign (resid   4  and name  HD2* )(resid   69  and name  HB*  )  1.8 0.0 2.26
assign (resid   4  and name  HN )(resid   4  and name  HB*  )  1.8 0.0 1.62
assign (resid   4  and name  HN )(resid   4  and name  HD1*  )  1.8 0.0 3.16
assign (resid   4  and name  HN )(resid   4  and name  HD2*  )  1.8 0.0 2.82
assign (resid   4  and name  HN )(resid   4  and name  HG  )  1.8 0.0 3.68
assign (resid   4  and name  HN )(resid   5  and name  HN  )  1.8 0.0 3.28
assign (resid   5  and name  HA )(resid   8  and name  HG1  )  1.8 0.0 2.49
assign (resid   5  and name  HA )(resid   8  and name  HN  )  1.8 0.0 2.94
assign (resid   5  and name  HB* )(resid   6  and name  HN  )  1.8 0.0 1.83
assign (resid   5  and name  HN )(resid   6  and name  HN  )  1.8 0.0 2.23
assign (resid   6  and name  HA )(resid   8  and name  HN  )  1.8 0.0 3.52
assign (resid   6  and name  HA )(resid   9  and name  HD1  )  1.8 0.0 3.11
assign (resid   6  and name  HA )(resid   9  and name  HD2  )  1.8 0.0 3.11
assign (resid   6  and name  HA )(resid   9  and name  HG*  )  1.8 0.0 3.53
assign (resid   6  and name  HB* )(resid   7  and name  HN  )  1.8 0.0 1.98
assign (resid   6  and name  HB* )(resid   8  and name  HN  )  1.8 0.0 4.3
assign (resid   6  and name  HB* )(resid   50  and name  HE*  )  1.8 0.0 2.99
assign (resid   6  and name  HN )(resid   6  and name  HB*  )  1.8 0.0 1.28
assign (resid   6  and name  HN )(resid   7  and name  HD2*  )  1.8 0.0 5.25
assign (resid   6  and name  HN )(resid   7  and name  HN  )  1.8 0.0 1.82
assign (resid   7  and name  HA )(resid   7  and name  HD1*  )  1.8 0.0 3.93
assign (resid   7  and name  HA )(resid   7  and name  HD2*  )  1.8 0.0 2.24
assign (resid   7  and name  HA )(resid   9  and name  HD*  )  1.8 0.0 3.61
assign (resid   7  and name  HA )(resid   10  and name  HB  )  1.8 0.0 3.7
assign (resid   7  and name  HA )(resid   10  and name  HD1*  )  1.8 0.0 2.4
assign (resid   7  and name  HA )(resid   10  and name  HN  )  1.8 0.0 2.82
assign (resid   7  and name  HB* )(resid   7  and name  HD2*  )  1.8 0.0 2.01
assign (resid   7  and name  HB* )(resid   11  and name  HN  )  1.8 0.0 3.59
assign (resid   7  and name  HB1 )(resid   7  and name  HD1*  )  1.8 0.0 2.42
assign (resid   7  and name  HB1 )(resid   8  and name  HN  )  1.8 0.0 3.12
assign (resid   7  and name  HB1 )(resid   22  and name  HD1*  )  1.8 0.0 2.77
assign (resid   7  and name  HB2 )(resid   7  and name  HD1*  )  1.8 0.0 2.42
assign (resid   7  and name  HB2 )(resid   8  and name  HN  )  1.8 0.0 3.12
assign (resid   7  and name  HB2 )(resid   22  and name  HD1*  )  1.8 0.0 2.77
assign (resid   7  and name  HD1* )(resid   8  and name  HN  )  1.8 0.0 3.9
assign (resid   7  and name  HD1* )(resid   11  and name  HE*  )  1.8 0.0 2.64
assign (resid   7  and name  HD2* )(resid   8  and name  HN  )  1.8 0.0 4.67
assign (resid   7  and name  HD2* )(resid   10  and name  HN  )  1.8 0.0 4.47
assign (resid   7  and name  HD2* )(resid   11  and name  HD*  )  1.8 0.0 3.2
assign (resid   7  and name  HD2* )(resid   11  and name  HE*  )  1.8 0.0 3.2 
assign (resid   7  and name  HD2* )(resid   11  and name  HN  )  1.8 0.0 4.6
assign (resid   7  and name  HN )(resid   7  and name  HB1  )  1.8 0.0 2.37
assign (resid   7  and name  HN )(resid   7  and name  HB2  )  1.8 0.0 2.37
assign (resid   7  and name  HN )(resid   7  and name  HD1*  )  1.8 0.0 2.68
assign (resid   7  and name  HN )(resid   7  and name  HD2*  )  1.8 0.0 2.82
assign (resid   7  and name  HN )(resid   7  and name  HG  )  1.8 0.0 2.85
assign (resid   7  and name  HN )(resid   8  and name  HN  )  1.8 0.0 1.99
assign (resid   7  and name  HN )(resid   22  and name  HD1*  )  1.8 0.0 3.70
assign (resid   8  and name  HA )(resid   8  and name  HG1   )  1.8 0.0 2.13
assign (resid   8  and name  HA )(resid   8  and name  HG2*  )  1.8 0.0 1.89
assign (resid   8  and name  HA )(resid   9  and name  HG*  )  1.8 0.0 3.99
assign (resid   8  and name  HA )(resid   22  and name  HD1*  )  1.8 0.0 3.74
assign (resid   8  and name  HB )(resid   22  and name  HD1*  )  1.8 0.0 2.69
assign (resid   8  and name  HB )(resid   22  and name  HG  )  1.8 0.0 4.18
assign (resid   8  and name  HB )(resid   22  and name  HN  )  1.8 0.0 6.06
assign (resid   8  and name  HG1 )(resid   9  and name  HD1  )  1.8 0.0 3.29
assign (resid   8  and name  HG1 )(resid   9  and name  HD2  )  1.8 0.0 3.29
assign (resid   8  and name  HG1 )(resid   22  and name  HD1*  )  1.8 0.0 3.12
assign (resid   8  and name  HG1 )(resid   22  and name  HN  )  1.8 0.0 3.38
assign (resid   8  and name  HG2* )(resid   8  and name  HG1  )  1.8 0.0 2.51
assign (resid   8  and name  HG2* )(resid   9  and name  HA  )  1.8 0.0 3.49
assign (resid   8  and name  HG2* )(resid   9  and name  HD1  )  1.8 0.0 2.97
assign (resid   8  and name  HG2* )(resid   9  and name  HD2  )  1.8 0.0 2.97
assign (resid   8  and name  HG2* )(resid   10  and name  HN  )  1.8 0.0 4.21
assign (resid   8  and name  HG2* )(resid   12  and name  HD*  )  1.8 0.0 3.22
assign (resid   8  and name  HG2* )(resid   12  and name  HE  )  1.8 0.0 2.91
assign (resid   8  and name  HG2* )(resid   12  and name  HG*  )  1.8 0.0 3.52
assign (resid   8  and name  HG2* )(resid   12  and name  HN  )  1.8 0.0 3.92
assign (resid   8  and name  HG2* )(resid   20  and name  HG2*  )  1.8 0.0 3.19
assign (resid   8  and name  HG2* )(resid   21  and name  HA  )  1.8 0.0 2.61
assign (resid   8  and name  HG2* )(resid   22  and name  HD1*  )  1.8 0.0 3.14
assign (resid   8  and name  HN )(resid   8  and name  HB  )  1.8 0.0 2.22
assign (resid   8  and name  HN )(resid   8  and name  HG1  )  1.8 0.0 1.75
assign (resid   8  and name  HN )(resid   8  and name  HG2*  )  1.8 0.0 2.6
assign (resid   8  and name  HN )(resid   9  and name  HD1  )  1.8 0.0 2.4
assign (resid   8  and name  HN )(resid   9  and name  HD2  )  1.8 0.0 2.4
assign (resid   8  and name  HN )(resid   9  and name  HG*  )  1.8 0.0 3.12
assign (resid   8  and name  HN )(resid   10  and name  HN  )  1.8 0.0 3.58
assign (resid   8  and name  HN )(resid   22  and name  HD1*  )  1.8 0.0 2.63
assign (resid   9  and name  HA )(resid   11  and name  HN  )  1.8 0.0 3.58
assign (resid   9  and name  HA )(resid   12  and name  HD*  )  1.8 0.0 2.91
assign (resid   9  and name  HA )(resid   12  and name  HN  )  1.8 0.0 3.69
assign (resid   9  and name  HB* )(resid   10  and name  HN  )  1.8 0.0 2.17
assign (resid   9  and name  HD1 )(resid   10  and name  HN  )  1.8 0.0 2.86
assign (resid   9  and name  HD2 )(resid   10  and name  HN  )  1.8 0.0 2.86
assign (resid   9  and name  HG* )(resid   10  and name  HN  )  1.8 0.0 3.02
assign (resid   10  and name  HA )(resid   10  and name  HD1*  )  1.8 0.0 2.82
assign (resid   10  and name  HA )(resid   10  and name  HG11  )  1.8 0.0 2.53
assign (resid   10  and name  HA )(resid   10  and name  HG12  )  1.8 0.0 2.53
assign (resid   10  and name  HA )(resid   10  and name  HG2*  )  1.8 0.0 1.81
assign (resid   10  and name  HA )(resid   12  and name  HN  )  1.8 0.0 4.03
assign (resid   10  and name  HA )(resid   13  and name  HB*  )  1.8 0.0 2.31
assign (resid   10  and name  HA )(resid   13  and name  HN  )  1.8 0.0 2.63
assign (resid   10  and name  HA )(resid   14  and name  HN  )  1.8 0.0 4.25
assign (resid   10  and name  HB )(resid   10  and name  HD1*  )  1.8 0.0 1.96
assign (resid   10  and name  HB )(resid   11  and name  HD*  )  1.8 0.0 2.83
assign (resid   10  and name  HB )(resid   11  and name  HN  )  1.8 0.0 2.2
assign (resid   10  and name  HD1* )(resid   46  and name  HD2*  )  1.8 0.0 2.24
assign (resid   10  and name  HD1* )(resid   49  and name  HB1  )  1.8 0.0 3.25
assign (resid   10  and name  HD1* )(resid   49  and name  HB2  )  1.8 0.0 3.25
assign (resid   10  and name  HD1* )(resid   49  and name  HD2  )  1.8 0.0 2.69
assign (resid   10  and name  HD1* )(resid   50  and name  HE*  )  1.8 0.0 2.45
assign (resid   10  and name  HG11 )(resid   11  and name  HN  )  1.8 0.0 3.93
assign (resid   10  and name  HG12 )(resid   11  and name  HN  )  1.8 0.0 3.93
assign (resid   10  and name  HG2* )(resid   10  and name  HD1*  )  1.8 0.0 1.5
assign (resid   10  and name  HG2* )(resid   10  and name  HG11  )  1.8 0.0 2.81
assign (resid   10  and name  HG2* )(resid   10  and name  HG12  )  1.8 0.0 2.81
assign (resid   10  and name  HG2* )(resid   11  and name  HN  )  1.8 0.0 2.8
assign (resid   10  and name  HG2* )(resid   14  and name  HG1*  )  1.8 0.0 3.88
assign (resid   10  and name  HG2* )(resid   42  and name  HA  )  1.8 0.0 3.64
assign (resid   10  and name  HG2* )(resid   42  and name  HD2*  )  1.8 0.0 2.35
assign (resid   10  and name  HG2* )(resid   45  and name  HB*  )  1.8 0.0 2.19
assign (resid   10  and name  HG2* )(resid   46  and name  HD2*  )  1.8 0.0 1.89
assign (resid   10  and name  HG2* )(resid   46  and name  HG  )  1.8 0.0 3.38
assign (resid   10  and name  HG2* )(resid   46  and name  HN  )  1.8 0.0 3.84
assign (resid   10  and name  HN )(resid   10  and name  HB  )  1.8 0.0 1.54
assign (resid   10  and name  HN )(resid   10  and name  HD1*  )  1.8 0.0 2.35
assign (resid   10  and name  HN )(resid   10  and name  HG1*  )  1.8 0.0 1.52
assign (resid   10  and name  HN )(resid   10  and name  HG2*  )  1.8 0.0 2.57
assign (resid   10  and name  HN )(resid   11  and name  HB*  )  1.8 0.0 3.46
assign (resid   10  and name  HN )(resid   11  and name  HN  )  1.8 0.0 1.72
assign (resid   10  and name  HN )(resid   12  and name  HN  )  1.8 0.0 3
assign (resid   11  and name  HA )(resid   11  and name  HD*  )  1.8 0.0 2.78
assign (resid   11  and name  HA )(resid   14  and name  HB  )  1.8 0.0 2.67
assign (resid   11  and name  HA )(resid   14  and name  HN  )  1.8 0.0 2.92
assign (resid   11  and name  HA )(resid   15  and name  HN  )  1.8 0.0 3.18
assign (resid   11  and name  HA )(resid   42  and name  HD2*  )  1.8 0.0 3.14
assign (resid   11  and name  HB* )(resid   14  and name  HN  )  1.8 0.0 4.25
assign (resid   11  and name  HB* )(resid   20  and name  HB  )  1.8 0.0 3.35
assign (resid   11  and name  HB1 )(resid   12  and name  HN  )  1.8 0.0 2.82
assign (resid   11  and name  HB1 )(resid   20  and name  HD1*  )  1.8 0.0 4.07
assign (resid   11  and name  HB1 )(resid   20  and name  HG2*  )  1.8 0.0 3.07
assign (resid   11  and name  HB1 )(resid   22  and name  HD1*  )  1.8 0.0 3.63
assign (resid   11  and name  HB* )(resid   22  and name  HD2*  )  1.8 0.0 4.57
assign (resid   11  and name  HB2 )(resid   12  and name  HN  )  1.8 0.0 2.82
assign (resid   11  and name  HB2 )(resid   20  and name  HD1*  )  1.8 0.0 4.07
assign (resid   11  and name  HB2 )(resid   20  and name  HG2*  )  1.8 0.0 3.07
assign (resid   11  and name  HB2 )(resid   22  and name  HD1*  )  1.8 0.0 3.63
assign (resid   11  and name  HD* )(resid   20  and name  HG2*  )  1.8 0.0 3.94
assign (resid   11  and name  HD* )(resid   22  and name  HD1*  )  1.8 0.0 5.29
assign (resid   11  and name  HD* )(resid   22  and name  HD2*  )  1.8 0.0 3.63
assign (resid   11  and name  HD* )(resid   31  and name  HD1*  )  1.8 0.0 3.22
assign (resid   11  and name  HE* )(resid   22  and name  HD2*  )  1.8 0.0 3.44
assign (resid   11  and name  HE* )(resid   65  and name  HG2*  )  1.8 0.0 3.29
assign (resid   11  and name  HE* )(resid   68  and name  HD2*  )  1.8 0.0 3.2
assign (resid   11  and name  HN )(resid   11  and name  HB1  )  1.8 0.0 2.47
assign (resid   11  and name  HN )(resid   11  and name  HB2  )  1.8 0.0 2.47
assign (resid   11  and name  HN )(resid   11  and name  HD*  )  1.8 0.0 1.98
assign (resid   11  and name  HN )(resid   12  and name  HB*  )  1.8 0.0 3.8
assign (resid   11  and name  HN )(resid   12  and name  HN  )  1.8 0.0 2.27
assign (resid   11  and name  HN )(resid   13  and name  HN  )  1.8 0.0 3.11
assign (resid   11  and name  HN )(resid   22  and name  HD1*  )  1.8 0.0 3.57
assign (resid   11  and name  HZ )(resid   42  and name  HD1*  )  1.8 0.0 2.99
assign (resid   11  and name  HZ )(resid   65  and name  HG2*  )  1.8 0.0 3.67
assign (resid   11  and name  HZ )(resid   68  and name  HD2*  )  1.8 0.0 2.68
assign (resid   12  and name  HA )(resid   15  and name  HN  )  1.8 0.0 3.28
assign (resid   12  and name  HA )(resid   16  and name  HN  )  1.8 0.0 2.92
assign (resid   12  and name  HA )(resid   17  and name  HN  )  1.8 0.0 2.14
assign (resid   12  and name  HA )(resid   20  and name  HD1*  )  1.8 0.0 2.52
assign (resid   12  and name  HA )(resid   20  and name  HG1*  )  1.8 0.0 3.17
assign (resid   12  and name  HB* )(resid   20  and name  HD1*  )  1.8 0.0 4.25
assign (resid   12  and name  HB1 )(resid   13  and name  HN  )  1.8 0.0 2.71
assign (resid   12  and name  HB2 )(resid   13  and name  HN  )  1.8 0.0 2.71
assign (resid   12  and name  HB* )(resid   18  and name  HA  )  1.8 0.0 3.43
assign (resid   12  and name  HD* )(resid   18  and name  HA  )  1.8 0.0 2.08
assign (resid   12  and name  HE )(resid   20  and name  HB  )  1.8 0.0 3.55
assign (resid   12  and name  HG* )(resid   12  and name  HE  )  1.8 0.0 2.71
assign (resid   12  and name  HG* )(resid   18  and name  HA  )  1.8 0.0 4.00
assign (resid   12  and name  HG* )(resid   20  and name  HG2*  )  1.8 0.0 3.74
assign (resid   12  and name  HG* )(resid   20  and name  HB  )  1.8 0.0 2.92
assign (resid   12  and name  HG* )(resid   20  and name  HN  )  1.8 0.0 3.46
assign (resid   12  and name  HN )(resid   12  and name  HD*  )  1.8 0.0 3.69
assign (resid   12  and name  HN )(resid   12  and name  HG1  )  1.8 0.0 2.88
assign (resid   12  and name  HN )(resid   12  and name  HG2  )  1.8 0.0 2.88
assign (resid   12  and name  HN )(resid   13  and name  HN  )  1.8 0.0 2.03
assign (resid   12  and name  HN )(resid   17  and name  HN  )  1.8 0.0 5.25
assign (resid   12  and name  HN )(resid   20  and name  HD1*  )  1.8 0.0 4.1
assign (resid   13  and name  HA )(resid   13  and name  HG*  )  1.8 0.0 2.14
assign (resid   13  and name  HA )(resid   16  and name  HN  )  1.8 0.0 3.17
assign (resid   13  and name  HB* )(resid   14  and name  HN  )  1.8 0.0 1.81
assign (resid   13  and name  HB* )(resid   16  and name  HN  )  1.8 0.0 3.83
assign (resid   13  and name  HG1 )(resid   14  and name  HN  )  1.8 0.0 3.57
assign (resid   13  and name  HG2 )(resid   14  and name  HN  )  1.8 0.0 3.57
assign (resid   13  and name  HN )(resid   13  and name  HB*  )  1.8 0.0 1.37
assign (resid   13  and name  HN )(resid   13  and name  HG*  )  1.8 0.0 2.72
assign (resid   13  and name  HN )(resid   14  and name  HA  )  1.8 0.0 3.74
assign (resid   13  and name  HN )(resid   14  and name  HB  )  1.8 0.0 4.44
assign (resid   13  and name  HN )(resid   14  and name  HG2*  )  1.8 0.0 4.28
assign (resid   13  and name  HN )(resid   14  and name  HN  )  1.8 0.0 2.38
assign (resid   14  and name  HA )(resid   14  and name  HG1*  )  1.8 0.0 2.1
assign (resid   14  and name  HA )(resid   14  and name  HG2*  )  1.8 0.0 1.81
assign (resid   14  and name  HA )(resid   16  and name  HN  )  1.8 0.0 3.24
assign (resid   14  and name  HB )(resid   15  and name  HN  )  1.8 0.0 1.82
assign (resid   14  and name  HB )(resid   16  and name  HN  )  1.8 0.0 3.59
assign (resid   14  and name  HG1* )(resid   15  and name  HN  )  1.8 0.0 2.5
assign (resid   14  and name  HG1* )(resid   41  and name  HB*  )  1.8 0.0 3.01
assign (resid   14  and name  HG1* )(resid   42  and name  HA  )  1.8 0.0 2.89
assign (resid   14  and name  HG1* )(resid   42  and name  HB*  )  1.8 0.0 3.26
assign (resid   14  and name  HG1* )(resid   42  and name  HD1*  )  1.8 0.0 4.20
assign (resid   14  and name  HG1* )(resid   42  and name  HN  )  1.8 0.0 3.20
assign (resid   14  and name  HG2* )(resid   15  and name  HN  )  1.8 0.0 3.22
assign (resid   14  and name  HG2* )(resid   42  and name  HA  )  1.8 0.0 2.4
assign (resid   14  and name  HG2* )(resid   42  and name  HD2*  )  1.8 0.0 1.98
assign (resid   14  and name  HG2* )(resid   45  and name  HB*  )  1.8 0.0 2.42
assign (resid   14  and name  HN )(resid   14  and name  HB  )  1.8 0.0 1.7
assign (resid   14  and name  HN )(resid   14  and name  HG1*  )  1.8 0.0 2.55
assign (resid   14  and name  HN )(resid   14  and name  HG2*  )  1.8 0.0 1.6
assign (resid   14  and name  HN )(resid   15  and name  HN  )  1.8 0.0 1.84
assign (resid   14  and name  HN )(resid   16  and name  HN  )  1.8 0.0 3.13
assign (resid   15  and name  HA )(resid   15  and name  HD*  )  1.8 0.0 2.18
assign (resid   15  and name  HA )(resid   33  and name  HB*  )  1.8 0.0 4.0
assign (resid   15  and name  HB* )(resid   20  and name  HG1*  )  1.8 0.0 4.25
assign (resid   15  and name  HB* )(resid   31  and name  HG2*  )  1.8 0.0 3.64
assign (resid   15  and name  HB* )(resid   33  and name  HB*  )  1.8 0.0 3.16
assign (resid   15  and name  HB1 )(resid   16  and name  HN  )  1.8 0.0 3.5
assign (resid   15  and name  HB1 )(resid   20  and name  HD1*  )  1.8 0.0 2.58
assign (resid   15  and name  HB2 )(resid   16  and name  HN  )  1.8 0.0 3.5
assign (resid   15  and name  HB2 )(resid   20  and name  HD1*  )  1.8 0.0 2.58
assign (resid   15  and name  HD* )(resid   31  and name  HG2*  )  1.8 0.0 3.53
assign (resid   15  and name  HD* )(resid   33  and name  HB*  )  1.8 0.0 2.35
assign (resid   15  and name  HE* )(resid   34  and name  HA  )  1.8 0.0 3.46
assign (resid   15  and name  HE* )(resid   42  and name  HD2*  )  1.8 0.0 3.24
assign (resid   15  and name  HN )(resid   16  and name  HN  )  1.8 0.0 1.78
assign (resid   15  and name  HZ )(resid   42  and name  HD1*  )  1.8 0.0 3.5
assign (resid   16  and name  HA )(resid   17  and name  HN  )  1.8 0.0 1.68
assign (resid   16  and name  HB1 )(resid   17  and name  HN  )  1.8 0.0 3.38
assign (resid   16  and name  HB2 )(resid   17  and name  HN  )  1.8 0.0 3.38
assign (resid   16  and name  HN )(resid   16  and name  HB*  )  1.8 0.0 2.09
assign (resid   16  and name  HN )(resid   17  and name  HN  )  1.8 0.0 1.85
assign (resid   17  and name  HB* )(resid   18  and name  HN  )  1.8 0.0 2.8
assign (resid   17  and name  HB* )(resid   20  and name  HD1*  )  1.8 0.0 1.83
assign (resid   17  and name  HB* )(resid   20  and name  HG11  )  1.8 0.0 4.07
assign (resid   17  and name  HB* )(resid   20  and name  HG12  )  1.8 0.0 4.07
assign (resid   17  and name  HN )(resid   17  and name  HB*  )  1.8 0.0 1.8
assign (resid   17  and name  HN )(resid   18  and name  HN  )  1.8 0.0 2.95
assign (resid   18  and name  HN )(resid   18  and name  HB*  )  1.8 0.0 1.54
assign (resid   19  and name  HN )(resid   19  and name  HB*  )  1.8 0.0 2.1
assign (resid   19  and name  HN )(resid   20  and name  HN  )  1.8 0.0 1.94
assign (resid   20  and name  HA )(resid   20  and name  HD1*  )  1.8 0.0 2.48
assign (resid   20  and name  HA )(resid   20  and name  HG11  )  1.8 0.0 2.5
assign (resid   20  and name  HA )(resid   20  and name  HG12  )  1.8 0.0 2.5
assign (resid   20  and name  HA )(resid   20  and name  HG2*  )  1.8 0.0 1.91
assign (resid   20  and name  HA )(resid   21  and name  HN  )  1.8 0.0 1.81
assign (resid   20  and name  HD1* )(resid   21  and name  HN  )  1.8 0.0 4.25
assign (resid   20  and name  HD1* )(resid   31  and name  HD1*  )  1.8 0.0 3.24
assign (resid   20  and name  HD1* )(resid   31  and name  HG2*  )  1.8 0.0 2.17
assign (resid   20  and name  HG1* )(resid   21  and name  HN  )  1.8 0.0 3.11
assign (resid   20  and name  HG2* )(resid   20  and name  HD1*  )  1.8 0.0 1.4
assign (resid   20  and name  HG2* )(resid   20  and name  HG11  )  1.8 0.0 2.49
assign (resid   20  and name  HG2* )(resid   20  and name  HG12  )  1.8 0.0 2.49
assign (resid   20  and name  HG2* )(resid   21  and name  HA  )  1.8 0.0 2.84
assign (resid   20  and name  HG2* )(resid   22  and name  HA  )  1.8 0.0 3.34
assign (resid   20  and name  HG2* )(resid   22  and name  HD1*  )  1.8 0.0 2.86
assign (resid   20  and name  HG2* )(resid   22  and name  HD2*  )  1.8 0.0 1.84
assign (resid   20  and name  HG2* )(resid   22  and name  HG  )  1.8 0.0 2.13
assign (resid   20  and name  HN )(resid   20  and name  HB  )  1.8 0.0 1.76
assign (resid   20  and name  HN )(resid   20  and name  HD1*  )  1.8 0.0 3.06
assign (resid   20  and name  HN )(resid   20  and name  HG11  )  1.8 0.0 2.77
assign (resid   20  and name  HN )(resid   20  and name  HG12  )  1.8 0.0 2.77
assign (resid   20  and name  HN )(resid   20  and name  HG2*  )  1.8 0.0 2.46
assign (resid   20  and name  HN )(resid   21  and name  HN  )  1.8 0.0 3.41
assign (resid   21  and name  HA )(resid   21  and name  HG1*  )  1.8 0.0 1.67
assign (resid   21  and name  HA )(resid   21  and name  HG2*  )  1.8 0.0 1.54
assign (resid   21  and name  HA )(resid   22  and name  HN  )  1.8 0.0 1.33
assign (resid   21  and name  HB )(resid   22  and name  HN  )  1.8 0.0 3.22
assign (resid   21  and name  HG1* )(resid   22  and name  HN  )  1.8 0.0 2.56
assign (resid   21  and name  HN )(resid   21  and name  HB  )  1.8 0.0 1.94
assign (resid   21  and name  HN )(resid   21  and name  HG1*  )  1.8 0.0 3.08
assign (resid   21  and name  HN )(resid   21  and name  HG2*  )  1.8 0.0 2.09
assign (resid   21  and name  HN )(resid   22  and name  HD2*  )  1.8 0.0 4.16
assign (resid   22  and name  HA )(resid   22  and name  HD1*  )  1.8 0.0 3.18
assign (resid   22  and name  HA )(resid   22  and name  HD2*  )  1.8 0.0 1.69
assign (resid   22  and name  HA )(resid   23  and name  HG2*  )  1.8 0.0 4.44
assign (resid   22  and name  HA )(resid   23  and name  HN  )  1.8 0.0 1.58
assign (resid   22  and name  HA )(resid   26  and name  HG2*  )  1.8 0.0 2.99
assign (resid   22  and name  HA )(resid   65  and name  HG1*  )  1.8 0.0 4.11
assign (resid   22  and name  HA )(resid   65  and name  HG2*  )  1.8 0.0 4.03
assign (resid   22  and name  HB* )(resid   22  and name  HD2*  )  1.8 0.0 1.82
assign (resid   22  and name  HB* )(resid   23  and name  HN  )  1.8 0.0 2.53
assign (resid   22  and name  HB1 )(resid   22  and name  HD1*  )  1.8 0.0 2.15
assign (resid   22  and name  HB1 )(resid   65  and name  HG1*  )  1.8 0.0 4.18
assign (resid   22  and name  HB2 )(resid   22  and name  HD1*  )  1.8 0.0 2.15
assign (resid   22  and name  HB2 )(resid   65  and name  HG1*  )  1.8 0.0 4.18
assign (resid   22  and name  HD1* )(resid   65  and name  HG1*  )  1.8 0.0 2.15
assign (resid   22  and name  HD2* )(resid   23  and name  HN  )  1.8 0.0 2.6
assign (resid   22  and name  HD2* )(resid   26  and name  HB  )  1.8 0.0 3.11
assign (resid   22  and name  HD2* )(resid   26  and name  HG2*  )  1.8 0.0 1.71
assign (resid   22  and name  HD2* )(resid   26  and name  HN  )  1.8 0.0 5.25
assign (resid   22  and name  HD2* )(resid   31  and name  HD1*  )  1.8 0.0 2.18
assign (resid   22  and name  HD2* )(resid   65  and name  HG2*  )  1.8 0.0 2.2
assign (resid   22  and name  HN )(resid   22  and name  HB1  )  1.8 0.0 2.22
assign (resid   22  and name  HN )(resid   22  and name  HB2  )  1.8 0.0 2.22
assign (resid   22  and name  HN )(resid   22  and name  HD1*  )  1.8 0.0 2.62
assign (resid   22  and name  HN )(resid   22  and name  HD2*  )  1.8 0.0 2.59
assign (resid   22  and name  HN )(resid   22  and name  HG  )  1.8 0.0 1.9
assign (resid   23  and name  HA )(resid   23  and name  HG2*  )  1.8 0.0 1.6
assign (resid   23  and name  HB )(resid   24  and name  HN  )  1.8 0.0 2.54
assign (resid   23  and name  HB )(resid   25  and name  HN  )  1.8 0.0 2.24
assign (resid   23  and name  HG2* )(resid   24  and name  HN  )  1.8 0.0 2.52
assign (resid   23  and name  HG2* )(resid   25  and name  HN  )  1.8 0.0 3.06
assign (resid   23  and name  HN )(resid   23  and name  HG2*  )  1.8 0.0 2.45
assign (resid   23  and name  HN )(resid   25  and name  HN  )  1.8 0.0 3.62
assign (resid   23  and name  HN )(resid   26  and name  HB  )  1.8 0.0 2.75
assign (resid   23  and name  HN )(resid   26  and name  HG1   )  1.8 0.0 4.5
assign (resid   23  and name  HN )(resid   26  and name  HN  )  1.8 0.0 3.2
assign (resid   24  and name  HA )(resid   65  and name  HB  )  1.8 0.0 3.34
assign (resid   24  and name  HA )(resid   66  and name  HN  )  1.8 0.0 2.1
assign (resid   24  and name  HB* )(resid   24  and name  HE  )  1.8 0.0 3.77
assign (resid   24  and name  HB* )(resid   66  and name  HA*  )  1.8 0.0 3.06
assign (resid   24  and name  HB1 )(resid   25  and name  HN  )  1.8 0.0 3.01
assign (resid   24  and name  HB* )(resid   66  and name  HN  )  1.8 0.0 4.22
assign (resid   24  and name  HB2 )(resid   25  and name  HN  )  1.8 0.0 3.01
assign (resid   24  and name  HG* )(resid   25  and name  HN  )  1.8 0.0 3.83
assign (resid   24  and name  HG* )(resid   66  and name  HN  )  1.8 0.0 5.07
assign (resid   24  and name  HN )(resid   24  and name  HG1  )  1.8 0.0 2.73
assign (resid   24  and name  HN )(resid   24  and name  HG2  )  1.8 0.0 2.73
assign (resid   24  and name  HN )(resid   25  and name  HN  )  1.8 0.0 2.34
assign (resid   24  and name  HN )(resid   66  and name  HA*  )  1.8 0.0 4.28
assign (resid   25  and name  HA )(resid   25  and name  HG*  )  1.8 0.0 2.04
assign (resid   25  and name  HA )(resid   64  and name  HB*  )  1.8 0.0 2.92
assign (resid   25  and name  HA )(resid   64  and name  HD2*  )  1.8 0.0 2.81
assign (resid   25  and name  HA )(resid   64  and name  HD21  )  1.8 0.0 3.59
assign (resid   25  and name  HA )(resid   64  and name  HD22  )  1.8 0.0 3.59
assign (resid   25  and name  HG* )(resid   26  and name  HN  )  1.8 0.0 3.08
assign (resid   25  and name  HN )(resid   25  and name  HB1  )  1.8 0.0 2.39
assign (resid   25  and name  HN )(resid   25  and name  HB2  )  1.8 0.0 2.39
assign (resid   25  and name  HN )(resid   25  and name  HG1  )  1.8 0.0 2.73
assign (resid   25  and name  HN )(resid   25  and name  HG2  )  1.8 0.0 2.73
assign (resid   25  and name  HN )(resid   26  and name  HN  )  1.8 0.0 1.81
assign (resid   25  and name  HN )(resid   64  and name  HB*  )  1.8 0.0 3.91
assign (resid   26  and name  HA )(resid   26  and name  HG2*  )  1.8 0.0 2.17
assign (resid   26  and name  HA )(resid   27  and name  HN  )  1.8 0.0 1.57
assign (resid   26  and name  HA )(resid   30  and name  HN  )  1.8 0.0 4.25
assign (resid   26  and name  HB )(resid   65  and name  HB  )  1.8 0.0 2.73
assign (resid   26  and name  HB )(resid   65  and name  HG1*  )  1.8 0.0 3.17
assign (resid   26  and name  HB )(resid   65  and name  HG2*  )  1.8 0.0 2.23
assign (resid   26  and name  HB )(resid   65  and name  HN  )  1.8 0.0 2.96
assign (resid   26  and name  HG1  )(resid   27  and name  HN  )  1.8 0.0 3.4
assign (resid   26  and name  HG2* )(resid   27  and name  HN  )  1.8 0.0 2.27
assign (resid   26  and name  HG2* )(resid   30  and name  HB*  )  1.8 0.0 2.94
assign (resid   26  and name  HG2* )(resid   30  and name  HN  )  1.8 0.0 3.55
assign (resid   26  and name  HG2* )(resid   31  and name  HD1*  )  1.8 0.0 1.93
assign (resid   26  and name  HG2* )(resid   34  and name  HZ3  )  1.8 0.0 2.29
assign (resid   26  and name  HG2* )(resid   65  and name  HB  )  1.8 0.0 3.14
assign (resid   26  and name  HG2* )(resid   65  and name  HG2*  )  1.8 0.0 1.91
assign (resid   26  and name  HG2* )(resid   65  and name  HN  )  1.8 0.0 3.59
assign (resid   26  and name  HN )(resid   26  and name  HB  )  1.8 0.0 1.69
assign (resid   26  and name  HN )(resid   26  and name  HG*  )  1.8 0.0 3.18
assign (resid   26  and name  HN )(resid   26  and name  HG2*  )  1.8 0.0 2.45
assign (resid   26  and name  HN )(resid   27  and name  HN  )  1.8 0.0 3.38
assign (resid   26  and name  HN )(resid   65  and name  HB  )  1.8 0.0 3.69
assign (resid   26  and name  HN )(resid   65  and name  HG1*  )  1.8 0.0 5.25
assign (resid   26  and name  HN )(resid   65  and name  HG2*  )  1.8 0.0 3.24
assign (resid   26  and name  HN )(resid   65  and name  HN  )  1.8 0.0 3.21
assign (resid   27  and name  HA )(resid   28  and name  HN  )  1.8 0.0 2.1
assign (resid   27  and name  HA )(resid   29  and name  HN  )  1.8 0.0 4.24
assign (resid   27  and name  HA  )(resid   64  and name  HA  )  1.8 0.0 3.20
assign (resid   27  and name  HA )(resid   65  and name  HG2*  )  1.8 0.0 3.23
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assign (resid   27  and name  HB* )(resid   64  and name  HA  )  1.8 0.0 3.39
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assign (resid   27  and name  HN )(resid   30  and name  HN  )  1.8 0.0 2.84
assign (resid   27  and name  HN )(resid   65  and name  HG2*  )  1.8 0.0 4.25
assign (resid   28  and name  HA )(resid   31  and name  HN  )  1.8 0.0 2.88
assign (resid   28  and name  HA )(resid   34  and name  HB*  )  1.8 0.0 2.73
assign (resid   28  and name  HA )(resid   34  and name  HE3  )  1.8 0.0 2.42
assign (resid   28  and name  HB* )(resid   29  and name  HN  )  1.8 0.0 2.17
assign (resid   28  and name  HB* )(resid   34  and name  HB*  )  1.8 0.0 2.61
assign (resid   28  and name  HB* )(resid   34  and name  HE3  )  1.8 0.0 4.11
assign (resid   28  and name  HB* )(resid   35  and name  HA  )  1.8 0.0 6.2
assign (resid   28  and name  HN )(resid   28  and name  HB*  )  1.8 0.0 1.61
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assign (resid   28  and name  HN )(resid   29  and name  HN  )  1.8 0.0 2.1
assign (resid   29  and name  HA )(resid   31  and name  HN  )  1.8 0.0 3.2
assign (resid   29  and name  HB* )(resid   29  and name  HD2*  )  1.8 0.0 1.69
assign (resid   29  and name  HB* )(resid   30  and name  HN  )  1.8 0.0 2.2
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assign (resid   29  and name  HN )(resid   30  and name  HN  )  1.8 0.0 1.93
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assign (resid   30  and name  HB* )(resid   31  and name  HN  )  1.8 0.0 2.5
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assign (resid   30  and name  HN )(resid   31  and name  HN  )  1.8 0.0 1.65
assign (resid   31  and name  HA )(resid   31  and name  HD1*  )  1.8 0.0 2.81
assign (resid   31  and name  HA )(resid   31  and name  HG1*  )  1.8 0.0 2.06
assign (resid   31  and name  HB )(resid   33  and name  HN  )  1.8 0.0 3.67
assign (resid   31  and name  HB )(resid   34  and name  HB*  )  1.8 0.0 2.84
assign (resid   31  and name  HB )(resid   34  and name  HE3  )  1.8 0.0 2.15
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assign (resid   31  and name  HD1* )(resid   34  and name  HB*  )  1.8 0.0 5.04
assign (resid   31  and name  HD1* )(resid   34  and name  HE3  )  1.8 0.0 2.07
assign (resid   31  and name  HD1* )(resid   34  and name  HZ3  )  1.8 0.0 3.29
assign (resid   31  and name  HG2* )(resid   31  and name  HD1*  )  1.8 0.0 1.59
assign (resid   31  and name  HG2* )(resid   31  and name  HG11  )  1.8 0.0 2.74
assign (resid   31  and name  HG2* )(resid   31  and name  HG12  )  1.8 0.0 2.74
assign (resid   31  and name  HG2* )(resid   32  and name  HN  )  1.8 0.0 3.04
assign (resid   31  and name  HG2* )(resid   33  and name  HB*  )  1.8 0.0 2.05
assign (resid   31  and name  HG2* )(resid   33  and name  HN  )  1.8 0.0 1.84
assign (resid   31  and name  HG2* )(resid   34  and name  HB1  )  1.8 0.0 2.88
assign (resid   31  and name  HG2* )(resid   34  and name  HB2  )  1.8 0.0 2.88
assign (resid   31  and name  HG2* )(resid   34  and name  HE3  )  1.8 0.0 3.72
assign (resid   31  and name  HG2* )(resid   34  and name  HN  )  1.8 0.0 1.94
assign (resid   31  and name  HN )(resid   31  and name  HB  )  1.8 0.0 1.96
assign (resid   31  and name  HN )(resid   31  and name  HD1*  )  1.8 0.0 3.03
assign (resid   31  and name  HN )(resid   31  and name  HG1*  )  1.8 0.0 2.08
assign (resid   31  and name  HN )(resid   31  and name  HG2*  )  1.8 0.0 2.8
assign (resid   31  and name  HN )(resid   32  and name  HN  )  1.8 0.0 4.25
assign (resid   31  and name  HN )(resid   34  and name  HB*  )  1.8 0.0 3.28
assign (resid   31  and name  HN )(resid   34  and name  HZ3  )  1.8 0.0 5.2
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assign (resid   33  and name  HB* )(resid   34  and name  HN  )  1.8 0.0 2.58
assign (resid   33  and name  HN )(resid   33  and name  HB*  )  1.8 0.0 1.6
assign (resid   33  and name  HN )(resid   34  and name  HB*  )  1.8 0.0 3.42
assign (resid   33  and name  HN )(resid   34  and name  HN  )  1.8 0.0 2.43
assign (resid   34  and name  HA )(resid   34  and name  HD1  )  1.8 0.0 2.77
assign (resid   34  and name  HA )(resid   35  and name  HN  )  1.8 0.0 1.89
assign (resid   34  and name  HB* )(resid   34  and name  HE3  )  1.8 0.0 2.82
assign (resid   34  and name  HD1 )(resid   35  and name  HN  )  1.8 0.0 2.23
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assign (resid   34  and name  HD1 )(resid   39  and name  HN  )  1.8 0.0 3.03
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assign (resid   34  and name  HE1 )(resid   39  and name  HB*  )  1.8 0.0 3.1
assign (resid   34  and name  HE1 )(resid   39  and name  HE1  )  1.8 0.0 3.81
assign (resid   34  and name  HH2 )(resid   65  and name  HG1*  )  1.8 0.0 3.9
assign (resid   34  and name  HH2 )(resid   65  and name  HG2*  )  1.8 0.0 2.02
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assign (resid   34  and name  HN )(resid   34  and name  HB2  )  1.8 0.0 2.17
assign (resid   34  and name  HN )(resid   34  and name  HD1  )  1.8 0.0 3.92
assign (resid   34  and name  HN )(resid   34  and name  HE3  )  1.8 0.0 4.25
assign (resid   34  and name  HN )(resid   35  and name  HN  )  1.8 0.0 3.76
assign (resid   34  and name  HZ2 )(resid   39  and name  HE1  )  1.8 0.0 2.02
assign (resid   34  and name  HZ2 )(resid   42  and name  HD1*  )  1.8 0.0 2.39
assign (resid   34  and name  HZ3 )(resid   65  and name  HG2*  )  1.8 0.0 2.47
assign (resid   35  and name  HB* )(resid   36  and name  HN  )  1.8 0.0 2.06
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assign (resid   35  and name  HN )(resid   38  and name  HN  )  1.8 0.0 5.06
assign (resid   35  and name  HN )(resid   39  and name  HN  )  1.8 0.0 3.75
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assign (resid   36  and name  HN )(resid   37  and name  HN  )  1.8 0.0 2.83
assign (resid   37  and name  HA )(resid   37  and name  HD*  )  1.8 0.0 1.78
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assign (resid   37  and name  HA )(resid   37  and name  HD2*  )  1.8 0.0 2.77
assign (resid   37  and name  HA )(resid   40  and name  HN  )  1.8 0.0 3.9
assign (resid   37  and name  HB1 )(resid   37  and name  HD1*  )  1.8 0.0 2.73
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assign (resid   37  and name  HB1 )(resid   38  and name  HN  )  1.8 0.0 2.57
assign (resid   37  and name  HB2 )(resid   37  and name  HD1*  )  1.8 0.0 2.73
assign (resid   37  and name  HB2 )(resid   37  and name  HD2*  )  1.8 0.0 2.73
assign (resid   37  and name  HB2 )(resid   38  and name  HN  )  1.8 0.0 2.57
assign (resid   37  and name  HD* )(resid   38  and name  HN  )  1.8 0.0 3.72
assign (resid   37  and name  HN )(resid   37  and name  HB*  )  1.8 0.0 1.67
assign (resid   37  and name  HN )(resid   37  and name  HD*  )  1.8 0.0 2.74
assign (resid   37  and name  HN )(resid   37  and name  HD1*  )  1.8 0.0 3.47
assign (resid   37  and name  HN )(resid   37  and name  HD2*  )  1.8 0.0 3.47
assign (resid   37  and name  HN )(resid   37  and name  HG  )  1.8 0.0 2.81
assign (resid   37  and name  HN )(resid   38  and name  HN  )  1.8 0.0 1.84
assign (resid   38  and name  HA )(resid   41  and name  HB*  )  1.8 0.0 2.93
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assign (resid   38  and name  HA )(resid   41  and name  HN  )  1.8 0.0 3.25
assign (resid   38  and name  HB1 )(resid   39  and name  HN  )  1.8 0.0 4.15
assign (resid   38  and name  HB2 )(resid   39  and name  HN  )  1.8 0.0 4.15
assign (resid   38  and name  HN )(resid   39  and name  HB*  )  1.8 0.0 3.52
assign (resid   38  and name  HN )(resid   39  and name  HN  )  1.8 0.0 2.19
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assign (resid   39  and name  HA )(resid   42  and name  HB2  )  1.8 0.0 3.88
assign (resid   39  and name  HA )(resid   42  and name  HN  )  1.8 0.0 3.23
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assign (resid   39  and name  HE1 )(resid   42  and name  HD1*  )  1.8 0.0 4.20
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assign (resid   39  and name  HN )(resid   39  and name  HB2  )  1.8 0.0 2.37
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assign (resid   40  and name  HA )(resid   40  and name  HE*  )  1.8 0.0 3.08
assign (resid   40  and name  HA )(resid   40  and name  HG*  )  1.8 0.0 1.97
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assign (resid   40  and name  HA )(resid   43  and name  HG1*  )  1.8 0.0 4.11
assign (resid   40  and name  HA )(resid   43  and name  HG2*  )  1.8 0.0 4.84
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assign (resid   40  and name  HB* )(resid   41  and name  HN  )  1.8 0.0 1.94
assign (resid   40  and name  HE* )(resid   43  and name  HG2*  )  1.8 0.0 3.84
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assign (resid   40  and name  HG* )(resid   40  and name  HE*  )  1.8 0.0 2.07
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assign (resid   40  and name  HN )(resid   41  and name  HN  )  1.8 0.0 2.15
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assign (resid   42  and name  HD2* )(resid   46  and name  HG  )  1.8 0.0 3.36
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assign (resid   43  and name  HN )(resid   43  and name  HB  )  1.8 0.0 1.83
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assign (resid   43  and name  HN )(resid   43  and name  HG1*  )  1.8 0.0 2.08
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assign (resid   44  and name  HN )(resid   44  and name  HB  )  1.8 0.0 1.75
assign (resid   44  and name  HN )(resid   44  and name  HG1*  )  1.8 0.0 2.53
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assign (resid   46  and name  HD1* )(resid   68  and name  HD1*  )  1.8 0.0 2.25
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assign (resid   46  and name  HN )(resid   46  and name  HG  )  1.8 0.0 1.95
assign (resid   46  and name  HN )(resid   47  and name  HN  )  1.8 0.0 1.95
assign (resid   47  and name  HA )(resid   47  and name  HG1  )  1.8 0.0 2.64
assign (resid   47  and name  HA )(resid   47  and name  HG2  )  1.8 0.0 2.64
assign (resid   47  and name  HA )(resid   52  and name  HD1*  )  1.8 0.0 3.24
assign (resid   47  and name  HA )(resid   52  and name  HG11  )  1.8 0.0 2.46
assign (resid   47  and name  HA )(resid   52  and name  HG12  )  1.8 0.0 2.46
assign (resid   47  and name  HA )(resid   52  and name  HN  )  1.8 0.0 1.93
assign (resid   47  and name  HB* )(resid   52  and name  HN  )  1.8 0.0 3.44
assign (resid   47  and name  HB1 )(resid   48  and name  HN  )  1.8 0.0 3.45
assign (resid   47  and name  HB2 )(resid   48  and name  HN  )  1.8 0.0 3.45
assign (resid   47  and name  HG* )(resid   48  and name  HN  )  1.8 0.0 3.9
assign (resid   47  and name  HG* )(resid   52  and name  HG1*  )  1.8 0.0 4.2
assign (resid   47  and name  HG* )(resid   52  and name  HN  )  1.8 0.0 3.57
assign (resid   47  and name  HG* )(resid   53  and name  HA  )  1.8 0.0 3.15
assign (resid   47  and name  HG* )(resid   54  and name  HE*  )  1.8 0.0 3.91
assign (resid   47  and name  HG1 )(resid   54  and name  HD*  )  1.8 0.0 2.8
assign (resid   47  and name  HG* )(resid   54  and name  HN  )  1.8 0.0 3.73
assign (resid   47  and name  HG2 )(resid   54  and name  HD*  )  1.8 0.0 2.8
assign (resid   47  and name  HN )(resid   47  and name  HB*  )  1.8 0.0 2.04
assign (resid   47  and name  HN )(resid   47  and name  HG1  )  1.8 0.0 2.66
assign (resid   47  and name  HN )(resid   47  and name  HG2  )  1.8 0.0 2.66
assign (resid   47  and name  HN )(resid   52  and name  HN  )  1.8 0.0 4.25
assign (resid   47  and name  HN )(resid   54  and name  HE*  )  1.8 0.0 3.68
assign (resid   48  and name  HA )(resid   48  and name  HG1*  )  1.8 0.0 1.73
assign (resid   48  and name  HA )(resid   48  and name  HG2*  )  1.8 0.0 1.56
assign (resid   48  and name  HA )(resid   51  and name  HN  )  1.8 0.0 3.16
assign (resid   48  and name  HB )(resid   49  and name  HN  )  1.8 0.0 1.97
assign (resid   48  and name  HB )(resid   50  and name  HN  )  1.8 0.0 4.25
assign (resid   48  and name  HG1* )(resid   49  and name  HA  )  1.8 0.0 3.76
assign (resid   48  and name  HG1* )(resid   49  and name  HN  )  1.8 0.0 2.38
assign (resid   48  and name  HG2* )(resid   49  and name  HN  )  1.8 0.0 2.55
assign (resid   48  and name  HN )(resid   48  and name  HB  )  1.8 0.0 1.75
assign (resid   48  and name  HN )(resid   48  and name  HG1*  )  1.8 0.0 2.63
assign (resid   48  and name  HN )(resid   48  and name  HG2*  )  1.8 0.0 1.92
assign (resid   48  and name  HN )(resid   49  and name  HN  )  1.8 0.0 1.98
assign (resid   48  and name  HN )(resid   52  and name  HN  )  1.8 0.0 4.25
assign (resid   49  and name  HB1 )(resid   50  and name  HN  )  1.8 0.0 2.45
assign (resid   49  and name  HB2 )(resid   50  and name  HN  )  1.8 0.0 2.45
assign (resid   49  and name  HN )(resid   49  and name  HB1  )  1.8 0.0 1.83
assign (resid   49  and name  HN )(resid   49  and name  HB2  )  1.8 0.0 1.83
assign (resid   49  and name  HN )(resid   50  and name  HD*  )  1.8 0.0 3.44
assign (resid   49  and name  HN )(resid   51  and name  HN  )  1.8 0.0 3.17
assign (resid   50  and name  HA )(resid   50  and name  HD*  )  1.8 0.0 1.97
assign (resid   50  and name  HA )(resid   52  and name  HG1*  )  1.8 0.0 3.49
assign (resid   50  and name  HA )(resid   76  and name  HD2*  )  1.8 0.0 4
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assign (resid   50  and name  HB* )(resid   76  and name  HD2*  )  1.8 0.0 3.2
assign (resid   50  and name  HB1 )(resid   51  and name  HN  )  1.8 0.0 3.67
assign (resid   50  and name  HB1 )(resid   52  and name  HD1*  )  1.8 0.0 2.3
assign (resid   50  and name  HB1 )(resid   52  and name  HG1*  )  1.8 0.0 2.68
assign (resid   50  and name  HB1 )(resid   52  and name  HG2*  )  1.8 0.0 3.28
assign (resid   50  and name  HB1 )(resid   52  and name  HN  )  1.8 0.0 3.35
assign (resid   50  and name  HB2 )(resid   51  and name  HN  )  1.8 0.0 3.67
assign (resid   50  and name  HB2 )(resid   52  and name  HD1*  )  1.8 0.0 2.3
assign (resid   50  and name  HB2 )(resid   52  and name  HG1*  )  1.8 0.0 2.68
assign (resid   50  and name  HB2 )(resid   52  and name  HG2*  )  1.8 0.0 3.28
assign (resid   50  and name  HB2 )(resid   52  and name  HN  )  1.8 0.0 3.35
assign (resid   50  and name  HD* )(resid   51  and name  HN  )  1.8 0.0 3.33
assign (resid   50  and name  HD* )(resid   52  and name  HD1*  )  1.8 0.0 3.33
assign (resid   50  and name  HD* )(resid   52  and name  HG2*  )  1.8 0.0 4.25
assign (resid   50  and name  HD* )(resid   72  and name  HG1*  )  1.8 0.0 3.2
assign (resid   50  and name  HD* )(resid   76  and name  HD1*  )  1.8 0.0 2.35
assign (resid   50  and name  HD* )(resid   76  and name  HD2*  )  1.8 0.0 2.14
assign (resid   50  and name  HE* )(resid   72  and name  HG1*  )  1.8 0.0 3.26
assign (resid   50  and name  HE* )(resid   76  and name  HD1*  )  1.8 0.0 2.26
assign (resid   50  and name  HE* )(resid   76  and name  HD2*  )  1.8 0.0 3.25
assign (resid   50  and name  HN )(resid   50  and name  HB1  )  1.8 0.0 2.33
assign (resid   50  and name  HN )(resid   50  and name  HB2  )  1.8 0.0 2.33
assign (resid   50  and name  HN )(resid   50  and name  HD*  )  1.8 0.0 2.37
assign (resid   50  and name  HN )(resid   51  and name  HN  )  1.8 0.0 1.82
assign (resid   50  and name  HN )(resid   52  and name  HD1*  )  1.8 0.0 4.78
assign (resid   50  and name  HN )(resid   52  and name  HN  )  1.8 0.0 3.18
assign (resid   51  and name  HA )(resid   51  and name  HD*  )  1.8 0.0 3.24
assign (resid   51  and name  HA )(resid   51  and name  HG*  )  1.8 0.0 2.14
assign (resid   51  and name  HA )(resid   52  and name  HN  )  1.8 0.0 1.63
assign (resid   51  and name  HB* )(resid   51  and name  HD*  )  1.8 0.0 1.74
assign (resid   51  and name  HB* )(resid   52  and name  HN  )  1.8 0.0 2.81
assign (resid   51  and name  HD* )(resid   52  and name  HN  )  1.8 0.0 4.2
assign (resid   51  and name  HG* )(resid   52  and name  HN  )  1.8 0.0 4.32
assign (resid   51  and name  HN )(resid   52  and name  HG2*  )  1.8 0.0 3.18
assign (resid   51  and name  HN )(resid   52  and name  HN  )  1.8 0.0 1.84
assign (resid   52  and name  HA )(resid   52  and name  HD1*  )  1.8 0.0 3.48
assign (resid   52  and name  HA )(resid   52  and name  HG2*  )  1.8 0.0 1.94
assign (resid   52  and name  HA )(resid   53  and name  HN  )  1.8 0.0 1.54
assign (resid   52  and name  HB )(resid   52  and name  HD1*  )  1.8 0.0 1.91
assign (resid   52  and name  HB )(resid   53  and name  HN  )  1.8 0.0 1.52
assign (resid   52  and name  HB )(resid   54  and name  HD*  )  1.8 0.0 4.15
assign (resid   52  and name  HB )(resid   75  and name  HE*  )  1.8 0.0 4.07
assign (resid   52  and name  HD1* )(resid   53  and name  HN  )  1.8 0.0 3.23
assign (resid   52  and name  HD1* )(resid   54  and name  HE*  )  1.8 0.0 2.73
assign (resid   52  and name  HD1* )(resid   54  and name  HZ  )  1.8 0.0 2.55
assign (resid   52  and name  HD1* )(resid   72  and name  HA  )  1.8 0.0 2.4
assign (resid   52  and name  HD1* )(resid   72  and name  HG1*  )  1.8 0.0 2.51
assign (resid   52  and name  HD1* )(resid   72  and name  HG2*  )  1.8 0.0 2.73
assign (resid   52  and name  HD1* )(resid   75  and name  HB1  )  1.8 0.0 2.67
assign (resid   52  and name  HD1* )(resid   75  and name  HB2  )  1.8 0.0 2.67
assign (resid   52  and name  HD1* )(resid   75  and name  HD*  )  1.8 0.0 2.62
assign (resid   52  and name  HD1* )(resid   75  and name  HE*  )  1.8 0.0 3.58
assign (resid   52  and name  HD1* )(resid   75  and name  HG*  )  1.8 0.0 2.96
assign (resid   52  and name  HD1* )(resid   75  and name  HN  )  1.8 0.0 6.18
assign (resid   52  and name  HD1* )(resid   76  and name  HD2*  )  1.8 0.0 2.77
assign (resid   52  and name  HD1* )(resid   76  and name  HN  )  1.8 0.0 4.63
assign (resid   54  and name  HB2 )(resid   59  and name  HD1*  )  1.8 0.0 2.68
assign (resid   52  and name  HG11 )(resid   53  and name  HN  )  1.8 0.0 3.56
assign (resid   52  and name  HG12 )(resid   53  and name  HN  )  1.8 0.0 3.56
assign (resid   52  and name  HG2* )(resid   52  and name  HD1*  )  1.8 0.0 1.49
assign (resid   52  and name  HG2* )(resid   52  and name  HG1*  )  1.8 0.0 2.27
assign (resid   52  and name  HG2* )(resid   53  and name  HN  )  1.8 0.0 2.33
assign (resid   52  and name  HG2* )(resid   72  and name  HG1*  )  1.8 0.0 4.97
assign (resid   52  and name  HG2* )(resid   75  and name  HB*  )  1.8 0.0 3.21
assign (resid   52  and name  HG2* )(resid   75  and name  HG*  )  1.8 0.0 3.71
assign (resid   52  and name  HG2* )(resid   76  and name  HA  )  1.8 0.0 3.26
assign (resid   52  and name  HG2* )(resid   76  and name  HD2*  )  1.8 0.0 2.87
assign (resid   52  and name  HG2* )(resid   79  and name  HD*  )  1.8 0.0 3.17
assign (resid   52  and name  HG2* )(resid   79  and name  HE*  )  1.8 0.0 2.28
assign (resid   52  and name  HG2* )(resid   79  and name  HG*  )  1.8 0.0 4.07
assign (resid   52  and name  HN )(resid   52  and name  HD1*  )  1.8 0.0 2.64
assign (resid   52  and name  HN )(resid   52  and name  HG11  )  1.8 0.0 2.45
assign (resid   52  and name  HN )(resid   52  and name  HG12  )  1.8 0.0 2.45
assign (resid   52  and name  HN )(resid   52  and name  HG2*  )  1.8 0.0 2.88
assign (resid   52  and name  HN )(resid   53  and name  HN  )  1.8 0.0 3.26
assign (resid   53  and name  HA )(resid   53  and name  HD*  )  1.8 0.0 3.17
assign (resid   53  and name  HA )(resid   54  and name  HN  )  1.8 0.0 1.81
assign (resid   53  and name  HB* )(resid   53  and name  HE*  )  1.8 0.0 2.57
assign (resid   53  and name  HB1 )(resid   54  and name  HN  )  1.8 0.0 3.29
assign (resid   53  and name  HB2 )(resid   54  and name  HN  )  1.8 0.0 3.29
assign (resid   53  and name  HD* )(resid   54  and name  HN  )  1.8 0.0 4.25
assign (resid   53  and name  HG* )(resid   54  and name  HN  )  1.8 0.0 3.28
assign (resid   53  and name  HG1 )(resid   53  and name  HE*  )  1.8 0.0 2.78
assign (resid   53  and name  HG2 )(resid   53  and name  HE*  )  1.8 0.0 2.78
assign (resid   53  and name  HN )(resid   53  and name  HB*  )  1.8 0.0 1.8
assign (resid   53  and name  HN )(resid   53  and name  HG*  )  1.8 0.0 2.89
assign (resid   53  and name  HN )(resid   54  and name  HN  )  1.8 0.0 3.18
assign (resid   54  and name  HA )(resid   54  and name  HD*  )  1.8 0.0 2.67
assign (resid   54  and name  HA )(resid   55  and name  HN  )  1.8 0.0 1.6
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assign (resid   54  and name  HB* )(resid   59  and name  HD1*  )  1.8 0.0 2.68
assign (resid   54  and name  HB* )(resid   59  and name  HG  )  1.8 0.0 3.26
assign (resid   54  and name  HB* )(resid   59  and name  HD2*  )  1.8 0.0 2.94
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assign (resid   54  and name  HD* )(resid   62  and name  HD1*  )  1.8 0.0 3.93
assign (resid   54  and name  HD* )(resid   71  and name  HD2*  )  1.8 0.0 2.58
assign (resid   54  and name  HD* )(resid   71  and name  HG  )  1.8 0.0 4.05
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assign (resid   54  and name  HD* )(resid   75  and name  HE*  )  1.8 0.0 2.16
assign (resid   54  and name  HD* )(resid   75  and name  HE1  )  1.8 0.0 2.73
assign (resid   54  and name  HD* )(resid   75  and name  HE2  )  1.8 0.0 2.73
assign (resid   54  and name  HE* )(resid   71  and name  HD2*  )  1.8 0.0 2.86
assign (resid   54  and name  HE* )(resid   71  and name  HG  )  1.8 0.0 3.38
assign (resid   54  and name  HE* )(resid   72  and name  HG2*  )  1.8 0.0 2.8
assign (resid   54  and name  HE* )(resid   75  and name  HD*  )  1.8 0.0 3.76
assign (resid   54  and name  HE* )(resid   75  and name  HE*  )  1.8 0.0 4.2
assign (resid   54  and name  HN )(resid   54  and name  HD*  )  1.8 0.0 2.56
assign (resid   54  and name  HZ )(resid   68  and name  HD1*  )  1.8 0.0 3.66
assign (resid   54  and name  HZ )(resid   72  and name  HG2*  )  1.8 0.0 2.14
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assign (resid   55  and name  HB* )(resid   58  and name  HB*  )  1.8 0.0 2.4
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assign (resid   55  and name  HN )(resid   58  and name  HG*  )  1.8 0.0 3.2 
assign (resid   55  and name  HN )(resid   75  and name  HE*  )  1.8 0.0 4.07
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assign (resid   56  and name  HN )(resid   56  and name  HG  )  1.8 0.0 4.05
assign (resid   57  and name  HA* )(resid   60  and name  HB*  )  1.8 0.0 2.71
assign (resid   57  and name  HA* )(resid   60  and name  HG*  )  1.8 0.0 3.05
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assign (resid   57  and name  HN )(resid   58  and name  HN  )  1.8 0.0 3.04
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assign (resid   58  and name  HB* )(resid   59  and name  HN  )  1.8 0.0 2.04
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assign (resid   58  and name  HB* )(resid   71  and name  HD2*  )  1.8 0.0 2.72
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assign (resid   59  and name  HD2* )(resid   62  and name  HD1*  )  1.8 0.0 1.68
assign (resid   59  and name  HD2* )(resid   62  and name  HN  )  1.8 0.0 5.25
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assign (resid   60  and name  HA )(resid   60  and name  HG*  )  1.8 0.0 2.06
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assign (resid   60  and name  HN )(resid   60  and name  HG*  )  1.8 0.0 1.95
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assign (resid   60  and name  HN )(resid   61  and name  HN  )  1.8 0.0 2.28
assign (resid   61  and name  HA )(resid   61  and name  HD*  )  1.8 0.0 3.08
assign (resid   61  and name  HA )(resid   61  and name  HG*  )  1.8 0.0 1.95
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assign (resid   61  and name  HB* )(resid   61  and name  HE*  )  1.8 0.0 3.05
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assign (resid   61  and name  HN )(resid   61  and name  HB*  )  1.8 0.0 1.64
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assign (resid   61  and name  HN )(resid   62  and name  HD2*  )  1.8 0.0 3.94
assign (resid   61  and name  HN )(resid   62  and name  HG  )  1.8 0.0 2.99
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assign (resid   62  and name  HA )(resid   62  and name  HD1*  )  1.8 0.0 3.02
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assign (resid   79  and name  HB* )(resid   79  and name  HE*  )  1.8 0.0 2.23
assign (resid   79  and name  HB* )(resid   80  and name  HN  )  1.8 0.0 2.67
assign (resid   79  and name  HG* )(resid   80  and name  HN  )  1.8 0.0 4.07
assign (resid   79  and name  HN )(resid   79  and name  HB*  )  1.8 0.0 1.79
assign (resid   79  and name  HN )(resid   79  and name  HD*  )  1.8 0.0 3.51
assign (resid   79  and name  HN )(resid   79  and name  HG*  )  1.8 0.0 2.51
assign (resid   80  and name  HA )(resid   80  and name  HD1*  )  1.8 0.0 2.46
assign (resid   80  and name  HB* )(resid   80  and name  HD1*  )  1.8 0.0 1.51
assign (resid   80  and name  HB* )(resid   80  and name  HD2*  )  1.8 0.0 1.78
assign (resid   80  and name  HB* )(resid   81  and name  HN  )  1.8 0.0 2.23
assign (resid   80  and name  HD1* )(resid   81  and name  HN  )  1.8 0.0 3.62
assign (resid   80  and name  HN )(resid   80  and name  HB1  )  1.8 0.0 2.18
assign (resid   80  and name  HN )(resid   80  and name  HB2  )  1.8 0.0 2.18
assign (resid   80  and name  HN )(resid   80  and name  HD1*  )  1.8 0.0 3.03
assign (resid   80  and name  HN )(resid   80  and name  HD2*  )  1.8 0.0 3.5
assign (resid   80  and name  HN )(resid   80  and name  HG  )  1.8 0.0 3.20
assign (resid   81  and name  HA )(resid   81  and name  HG*  )  1.8 0.0 2.06
assign (resid   81  and name  HN )(resid   81  and name  HB*  )  1.8 0.0 1.56
assign (resid   81  and name  HN )(resid   81  and name  HG*  )  1.8 0.0 2.46
! created by  AutoStructure/RPF Version 2.2.1 Copyright(C) 2007

! PRO 2
 assign (resid   1 and name C ) (resid   2 and name N ) (resid   2 and name CA )
        (resid   2 and name C ) (resid   3 and name N ) 61.6 32.7
! THR 3
 assign (resid   2 and name C ) (resid   3 and name N ) (resid   3 and name CA )
        (resid   3 and name C ) (resid   4 and name N ) 63.6 69.02
! LEU 4
 assign (resid   3 and name C ) (resid   4 and name N ) (resid   4 and name CA )
        (resid   4 and name C ) (resid   5 and name N ) 58.5 40.8
! ASP 5
 assign (resid   4 and name C ) (resid   5 and name N ) (resid   5 and name CA )
        (resid   5 and name C ) (resid   6 and name N ) 57.1 40.4
! ALA 6
 assign (resid   5 and name C ) (resid   6 and name N ) (resid   6 and name CA )
        (resid   6 and name C ) (resid   7 and name N ) 54.25 18.72
! LEU 7
 assign (resid   6 and name C ) (resid   7 and name N ) (resid   7 and name CA )
        (resid   7 and name C ) (resid   8 and name N ) 56.28 42.3
! THR 8
 assign (resid   7 and name C ) (resid   8 and name N ) (resid   8 and name CA )
        (resid   8 and name C ) (resid   9 and name N ) 66.69 70.4
! PRO 9
 assign (resid   8 and name C ) (resid   9 and name N ) (resid   9 and name CA )
        (resid   9 and name C ) (resid  10 and name N ) 66 31.14
! ILE 10
 assign (resid   9 and name C ) (resid  10 and name N ) (resid  10 and name CA )
        (resid  10 and name C ) (resid  11 and name N ) 64.7 38.2
! PHE 11
 assign (resid  10 and name C ) (resid  11 and name N ) (resid  11 and name CA )
        (resid  11 and name C ) (resid  12 and name N ) 62.15 39.93
! ARG 12
 assign (resid  11 and name C ) (resid  12 and name N ) (resid  12 and name CA )
        (resid  12 and name C ) (resid  13 and name N ) 59.76 30.6
! GLN 13
 assign (resid  12 and name C ) (resid  13 and name N ) (resid  13 and name CA )
        (resid  13 and name C ) (resid  14 and name N ) 58.6 28.74
! VAL 14
 assign (resid  13 and name C ) (resid  14 and name N ) (resid  14 and name CA )
        (resid  14 and name C ) (resid  15 and name N ) 65.91 31.41
! PHE 15
 assign (resid  14 and name C ) (resid  15 and name N ) (resid  15 and name CA )
        (resid  15 and name C ) (resid  16 and name N ) 56.9 37.3
! ASP 16
 assign (resid  15 and name C ) (resid  16 and name N ) (resid  16 and name CA )
        (resid  16 and name C ) (resid  17 and name N ) 54.58 39.6
! ASP 17
 assign (resid  16 and name C ) (resid  17 and name N ) (resid  17 and name CA )
        (resid  17 and name C ) (resid  18 and name N ) 53.5 41.6
! ASP 18
 assign (resid  17 and name C ) (resid  18 and name N ) (resid  18 and name CA )
        (resid  18 and name C ) (resid  19 and name N ) 55.2 40.5
! SER 19
 assign (resid  18 and name C ) (resid  19 and name N ) (resid  19 and name CA )
        (resid  19 and name C ) (resid  20 and name N ) 58.8 65
! ILE 20
 assign (resid  19 and name C ) (resid  20 and name N ) (resid  20 and name CA )
        (resid  20 and name C ) (resid  21 and name N ) 63.71 39.5
! VAL 21
 assign (resid  20 and name C ) (resid  21 and name N ) (resid  21 and name CA )
        (resid  21 and name C ) (resid  22 and name N ) 61.33 34.16
! LEU 22
 assign (resid  21 and name C ) (resid  22 and name N ) (resid  22 and name CA )
        (resid  22 and name C ) (resid  23 and name N ) 53.9 44.9
! THR 23
 assign (resid  22 and name C ) (resid  23 and name N ) (resid  23 and name CA )
        (resid  23 and name C ) (resid  24 and name N ) 59.84 72.3
! ARG 24
 assign (resid  23 and name C ) (resid  24 and name N ) (resid  24 and name CA )
        (resid  24 and name C ) (resid  25 and name N ) 60 29.6
! GLU 25
 assign (resid  24 and name C ) (resid  25 and name N ) (resid  25 and name CA )
        (resid  25 and name C ) (resid  26 and name N ) 57.1 29.77
! THR 26
 assign (resid  25 and name C ) (resid  26 and name N ) (resid  26 and name CA )
        (resid  26 and name C ) (resid  27 and name N ) 65.47 69.32
! SER 27
 assign (resid  26 and name C ) (resid  27 and name N ) (resid  27 and name CA )
        (resid  27 and name C ) (resid  28 and name N ) 57 67.6
! ALA 28
 assign (resid  27 and name C ) (resid  28 and name N ) (resid  28 and name CA )
        (resid  28 and name C ) (resid  29 and name N ) 55.4 16.8
! ASN 29
 assign (resid  28 and name C ) (resid  29 and name N ) (resid  29 and name CA )
        (resid  29 and name C ) (resid  30 and name N ) 55.1 38.6
! ASP 30
 assign (resid  29 and name C ) (resid  30 and name N ) (resid  30 and name CA )
        (resid  30 and name C ) (resid  31 and name N ) 55.7 43.3
! ILE 31
 assign (resid  30 and name C ) (resid  31 and name N ) (resid  31 and name CA )
        (resid  31 and name C ) (resid  32 and name N ) 59.92 40.45
! ASP 32
 assign (resid  31 and name C ) (resid  32 and name N ) (resid  32 and name CA )
        (resid  32 and name C ) (resid  33 and name N ) 58 40.27
! ALA 33
 assign (resid  32 and name C ) (resid  33 and name N ) (resid  33 and name CA )
        (resid  33 and name C ) (resid  34 and name N ) 52.7 20
! TRP 34
 assign (resid  33 and name C ) (resid  34 and name N ) (resid  34 and name CA )
        (resid  34 and name C ) (resid  35 and name N ) 54.7 29.9
! ASP 35
 assign (resid  34 and name C ) (resid  35 and name N ) (resid  35 and name CA )
        (resid  35 and name C ) (resid  36 and name N ) 52.4 42.1
! SER 36
 assign (resid  35 and name C ) (resid  36 and name N ) (resid  36 and name CA )
        (resid  36 and name C ) (resid  37 and name N ) 61.8 66.82
! LEU 37
 assign (resid  36 and name C ) (resid  37 and name N ) (resid  37 and name CA )
        (resid  37 and name C ) (resid  38 and name N ) 57.46 41.37
! SER 38
 assign (resid  37 and name C ) (resid  38 and name N ) (resid  38 and name CA )
        (resid  38 and name C ) (resid  39 and name N ) 59.85 63.55
! HIS 39
 assign (resid  38 and name C ) (resid  39 and name N ) (resid  39 and name CA )
        (resid  39 and name C ) (resid  40 and name N ) 60.1 32.7
! MET 40
 assign (resid  39 and name C ) (resid  40 and name N ) (resid  40 and name CA )
        (resid  40 and name C ) (resid  41 and name N ) 57.1 31.01
! ASN 41
 assign (resid  40 and name C ) (resid  41 and name N ) (resid  41 and name CA )
        (resid  41 and name C ) (resid  42 and name N ) 55.4 37.5
! LEU 42
 assign (resid  41 and name C ) (resid  42 and name N ) (resid  42 and name CA )
        (resid  42 and name C ) (resid  43 and name N ) 58.24 40.45
! ILE 43
 assign (resid  42 and name C ) (resid  43 and name N ) (resid  43 and name CA )
        (resid  43 and name C ) (resid  44 and name N ) 63.03 35.4
! VAL 44
 assign (resid  43 and name C ) (resid  44 and name N ) (resid  44 and name CA )
        (resid  44 and name C ) (resid  45 and name N ) 66.45 31.9
! SER 45
 assign (resid  44 and name C ) (resid  45 and name N ) (resid  45 and name CA )
        (resid  45 and name C ) (resid  46 and name N ) 62.8 62.7
! LEU 46
 assign (resid  45 and name C ) (resid  46 and name N ) (resid  46 and name CA )
        (resid  46 and name C ) (resid  47 and name N ) 58.5 42.8
! GLU 47
 assign (resid  46 and name C ) (resid  47 and name N ) (resid  47 and name CA )
        (resid  47 and name C ) (resid  48 and name N ) 60.7 29.9
! VAL 48
 assign (resid  47 and name C ) (resid  48 and name N ) (resid  48 and name CA )
        (resid  48 and name C ) (resid  49 and name N ) 65.65 32.24
! HIS 49
 assign (resid  48 and name C ) (resid  49 and name N ) (resid  49 and name CA )
        (resid  49 and name C ) (resid  50 and name N ) 60.3 30.63
! TYR 50
 assign (resid  49 and name C ) (resid  50 and name N ) (resid  50 and name CA )
        (resid  50 and name C ) (resid  51 and name N ) 59.8 39.21
! LYS 51
 assign (resid  50 and name C ) (resid  51 and name N ) (resid  51 and name CA )
        (resid  51 and name C ) (resid  52 and name N ) 57.1 28.4
! ILE 52
 assign (resid  51 and name C ) (resid  52 and name N ) (resid  52 and name CA )
        (resid  52 and name C ) (resid  53 and name N ) 58.8 42.52
! LYS 53
 assign (resid  52 and name C ) (resid  53 and name N ) (resid  53 and name CA )
        (resid  53 and name C ) (resid  54 and name N ) 53.59 35.25
! PHE 54
 assign (resid  53 and name C ) (resid  54 and name N ) (resid  54 and name CA )
        (resid  54 and name C ) (resid  55 and name N ) 57.5 40.51
! ALA 55
 assign (resid  54 and name C ) (resid  55 and name N ) (resid  55 and name CA )
        (resid  55 and name C ) (resid  56 and name N ) 50.4 20.3
! LEU 56
 assign (resid  55 and name C ) (resid  56 and name N ) (resid  56 and name CA )
        (resid  56 and name C ) (resid  57 and name N ) 58.78 41.5
! GLY 57
 assign (resid  56 and name C ) (resid  57 and name N ) (resid  57 and name CA )
        (resid  57 and name C ) (resid  58 and name N ) 46.8  $noexpectation
! GLU 58
 assign (resid  57 and name C ) (resid  58 and name N ) (resid  58 and name CA )
        (resid  58 and name C ) (resid  59 and name N ) 57.9 29.77
! LEU 59
 assign (resid  58 and name C ) (resid  59 and name N ) (resid  59 and name CA )
        (resid  59 and name C ) (resid  60 and name N ) 57.04 42.04
! GLN 60
 assign (resid  59 and name C ) (resid  60 and name N ) (resid  60 and name CA )
        (resid  60 and name C ) (resid  61 and name N ) 58.3 28.7
! LYS 61
 assign (resid  60 and name C ) (resid  61 and name N ) (resid  61 and name CA )
        (resid  61 and name C ) (resid  62 and name N ) 56.1 33.2
! LEU 62
 assign (resid  61 and name C ) (resid  62 and name N ) (resid  62 and name CA )
        (resid  62 and name C ) (resid  63 and name N ) 55.55 42.6
! LYS 63
 assign (resid  62 and name C ) (resid  63 and name N ) (resid  63 and name CA )
        (resid  63 and name C ) (resid  64 and name N ) 56.8 33.7
! ASN 64
 assign (resid  63 and name C ) (resid  64 and name N ) (resid  64 and name CA )
        (resid  64 and name C ) (resid  65 and name N ) 51.75 40.3
! VAL 65
 assign (resid  64 and name C ) (resid  65 and name N ) (resid  65 and name CA )
        (resid  65 and name C ) (resid  66 and name N ) 66.61 31.64
! GLY 66
 assign (resid  65 and name C ) (resid  66 and name N ) (resid  66 and name CA )
        (resid  66 and name C ) (resid  67 and name N ) 47  $noexpectation
! ASP 67
 assign (resid  66 and name C ) (resid  67 and name N ) (resid  67 and name CA )
        (resid  67 and name C ) (resid  68 and name N ) 57.3 41.76
! LEU 68
 assign (resid  67 and name C ) (resid  68 and name N ) (resid  68 and name CA )
        (resid  68 and name C ) (resid  69 and name N ) 58.3 42.2
! ALA 69
 assign (resid  68 and name C ) (resid  69 and name N ) (resid  69 and name CA )
        (resid  69 and name C ) (resid  70 and name N ) 55.75 17.8
! ASP 70
 assign (resid  69 and name C ) (resid  70 and name N ) (resid  70 and name CA )
        (resid  70 and name C ) (resid  71 and name N ) 57.05 39.8
! LEU 71
 assign (resid  70 and name C ) (resid  71 and name N ) (resid  71 and name CA )
        (resid  71 and name C ) (resid  72 and name N ) 57.92 41.5
! VAL 72
 assign (resid  71 and name C ) (resid  72 and name N ) (resid  72 and name CA )
        (resid  72 and name C ) (resid  73 and name N ) 68 31.1
! ASP 73
 assign (resid  72 and name C ) (resid  73 and name N ) (resid  73 and name CA )
        (resid  73 and name C ) (resid  74 and name N ) 58.08 39.8
! LYS 74
 assign (resid  73 and name C ) (resid  74 and name N ) (resid  74 and name CA )
        (resid  74 and name C ) (resid  75 and name N ) 59.7 32.62
! LYS 75
 assign (resid  74 and name C ) (resid  75 and name N ) (resid  75 and name CA )
        (resid  75 and name C ) (resid  76 and name N ) 58.9 32.2
! LEU 76
 assign (resid  75 and name C ) (resid  76 and name N ) (resid  76 and name CA )
        (resid  76 and name C ) (resid  77 and name N ) 57.35 41.7
! ALA 77
 assign (resid  76 and name C ) (resid  77 and name N ) (resid  77 and name CA )
        (resid  77 and name C ) (resid  78 and name N ) 54.55 18
! ARG 78
 assign (resid  77 and name C ) (resid  78 and name N ) (resid  78 and name CA )
        (resid  78 and name C ) (resid  79 and name N ) 57.7 30.2
! LYS 79
 assign (resid  78 and name C ) (resid  79 and name N ) (resid  79 and name CA )
        (resid  79 and name C ) (resid  80 and name N ) 57.95 32.6
! LEU 80
 assign (resid  79 and name C ) (resid  80 and name N ) (resid  80 and name CA )
        (resid  80 and name C ) (resid  81 and name N ) 55.65 42.1
! GLU 81
 assign (resid  80 and name C ) (resid  81 and name N ) (resid  81 and name CA )
        (resid  81 and name C ) (resid  82 and name N ) 57.1 30.2
! HIS 82
 assign (resid  81 and name C ) (resid  82 and name N ) (resid  82 and name CA )
        (resid  82 and name C ) (resid  83 and name N ) 57.1 3
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 4 and name N     )
       ( resid 4 and name HN    )  -4.897   1.30
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 6 and name N     )
       ( resid 6 and name HN    )  -3.912   1.30
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 8 and name N     )
       ( resid 8 and name HN    )  -5.213   1.30
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 10 and name N     )
       ( resid 10 and name HN    )  -6.077   1.30
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 11 and name N     )
       ( resid 11 and name HN    )  -3.801   1.30
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 12 and name N     )
       ( resid 12 and name HN    )  -3.724   1.30
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 13 and name N     )
       ( resid 13 and name HN    )  -1.812   1.30
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 16 and name N     )
       ( resid 16 and name HN    )  3.251   1.30
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 18 and name N     )
       ( resid 18 and name HN    )  -1.789   1.30
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 19 and name N     )
       ( resid 19 and name HN    )  -4.402   1.30
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 20 and name N     )
       ( resid 20 and name HN    )  -4.486   1.30
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 21 and name N     )
       ( resid 21 and name HN    )  0.123   1.30
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 22 and name N     )
       ( resid 22 and name HN    )  0.058   1.30
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 23 and name N     )
       ( resid 23 and name HN    )  -2.495   1.30
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 24 and name N     )
       ( resid 24 and name HN    )  -3.033   1.30
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 25 and name N     )
       ( resid 25 and name HN    )  2.996   1.30
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 26 and name N     )
       ( resid 26 and name HN    )  -0.155   1.30
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 28 and name N     )
       ( resid 28 and name HN    )  5.839   1.30
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 29 and name N     )
       ( resid 29 and name HN    )  -1.226   1.30
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 30 and name N     )
       ( resid 30 and name HN    )  4.792   1.30
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 31 and name N     )
       ( resid 31 and name HN    )  4.424   1.30
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 32 and name N     )
       ( resid 32 and name HN    )  5.281   1.30
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 33 and name N     )
       ( resid 33 and name HN    )  0.582   1.30
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 34 and name N     )
       ( resid 34 and name HN    )  1.1   1.30
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 35 and name N     )
       ( resid 35 and name HN    )  0.871   1.30
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 36 and name N     )
       ( resid 36 and name HN    )  1.26   1.30
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 37 and name N     )
       ( resid 37 and name HN    )  4.566   1.30
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 38 and name N     )
       ( resid 38 and name HN    )  1.5   1.30
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 39 and name N     )
       ( resid 39 and name HN    )  0.012   1.30
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 42 and name N     )
       ( resid 42 and name HN    )  0.658   1.30
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 43 and name N     )
       ( resid 43 and name HN    )  -2.376   1.30
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 46 and name N     )
       ( resid 46 and name HN    )  -0.449   1.30
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 48 and name N     )
       ( resid 48 and name HN    )  2.025   1.30
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 49 and name N     )
       ( resid 49 and name HN    )  0.444   1.30
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 50 and name N     )
       ( resid 50 and name HN    )  0.304   1.30
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 51 and name N     )
       ( resid 51 and name HN    )  -0.645   1.30
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 52 and name N     )
       ( resid 52 and name HN    )  2.094   1.30
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 54 and name N     )
       ( resid 54 and name HN    )  -1.581   1.30
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 55 and name N     )
       ( resid 55 and name HN    )  -4.899   1.30
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 56 and name N     )
       ( resid 56 and name HN    )  1.235   1.30
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 57 and name N     )
       ( resid 57 and name HN    )  3.758   1.30
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 59 and name N     )
       ( resid 59 and name HN    )  0.715   1.30
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 60 and name N     )
       ( resid 60 and name HN    )  4.914   1.30
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 61 and name N     )
       ( resid 61 and name HN    )  2.079   1.30
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 62 and name N     )
       ( resid 62 and name HN    )  -3.925   1.30
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 63 and name N     )
       ( resid 63 and name HN    )  -2.507   1.30
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 64 and name N     )
       ( resid 64 and name HN    )  2.694   1.30
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 65 and name N     )
       ( resid 65 and name HN    )  6.033   1.30
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 66 and name N     )
       ( resid 66 and name HN    )  2.361   1.30
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 68 and name N     )
       ( resid 68 and name HN    )  3.379   1.30
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 70 and name N     )
       ( resid 70 and name HN    )  2.791   1.30
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 71 and name N     )
       ( resid 71 and name HN    )  3.761   1.30
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 72 and name N     )
       ( resid 72 and name HN    )  7.065   1.30
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 73 and name N     )
       ( resid 73 and name HN    )  2.076   1.30
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 74 and name N     )
       ( resid 74 and name HN    )  2.852   1.30
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 75 and name N     )
       ( resid 75 and name HN    )  6.21   1.30
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 77 and name N     )
       ( resid 77 and name HN    )  2.512   1.30
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 78 and name N     )
       ( resid 78 and name HN    )  2.955   1.30
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid 79 and name N     )
       ( resid 79 and name HN    )  6.555   1.30
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 4 and name N     )
       ( resid 4 and name HN    )  -8.961   4.100
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 5 and name N     )
       ( resid 5 and name HN    )  3.988   4.100
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 6 and name N     )
       ( resid 6 and name HN    )  1.377   4.100
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 10 and name N     )
       ( resid 10 and name HN    )  -2.042   4.100
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 11 and name N     )
       ( resid 11 and name HN    )  -6.124   4.100
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 12 and name N     )
       ( resid 12 and name HN    )  4.81   4.100
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 13 and name N     )
       ( resid 13 and name HN    )  15.241   4.100
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 14 and name N     )
       ( resid 14 and name HN    )  4.762   4.100
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 16 and name N     )
       ( resid 16 and name HN    )  20.766   4.100
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 18 and name N     )
       ( resid 18 and name HN    )  12.325   4.100
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 19 and name N     )
       ( resid 19 and name HN    )  -6.08   4.100
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 20 and name N     )
       ( resid 20 and name HN    )  -14.052   4.100
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 21 and name N     )
       ( resid 21 and name HN    )  1.895   4.100
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 22 and name N     )
       ( resid 22 and name HN    )  -5.53   4.100
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 23 and name N     )
       ( resid 23 and name HN    )  -8.784   4.100
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 24 and name N     )
       ( resid 24 and name HN    )  -13.141   4.100
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 25 and name N     )
       ( resid 25 and name HN    )  -5.654   4.100
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 26 and name N     )
       ( resid 26 and name HN    )  -2.145   4.100
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 28 and name N     )
       ( resid 28 and name HN    )  14.152   4.100
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 29 and name N     )
       ( resid 29 and name HN    )  12.502   4.100
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 30 and name N     )
       ( resid 30 and name HN    )  26.167   4.100
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 31 and name N     )
       ( resid 31 and name HN    )  -0.302   4.100
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 32 and name N     )
       ( resid 32 and name HN    )  -4.49   4.100
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 33 and name N     )
       ( resid 33 and name HN    )  -12.082   4.100
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 34 and name N     )
       ( resid 34 and name HN    )  -6.504   4.100
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 35 and name N     )
       ( resid 35 and name HN    )  -5.38   4.100
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 36 and name N     )
       ( resid 36 and name HN    )  3.309   4.100
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 37 and name N     )
       ( resid 37 and name HN    )  17.347   4.100
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 38 and name N     )
       ( resid 38 and name HN    )  7.127   4.100
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 39 and name N     )
       ( resid 39 and name HN    )  4.484   4.100
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 40 and name N     )
       ( resid 40 and name HN    )  13.149   4.100
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 42 and name N     )
       ( resid 42 and name HN    )  2.149   4.100
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 46 and name N     )
       ( resid 46 and name HN    )  0.13   4.100
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 48 and name N     )
       ( resid 48 and name HN    )  18.412   4.100
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 49 and name N     )
       ( resid 49 and name HN    )  8.204   4.100
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 50 and name N     )
       ( resid 50 and name HN    )  1.151   4.100
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 51 and name N     )
       ( resid 51 and name HN    )  15.713   4.100
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 52 and name N     )
       ( resid 52 and name HN    )  21.487   4.100
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 55 and name N     )
       ( resid 55 and name HN    )  -10.348   4.100
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 56 and name N     )
       ( resid 56 and name HN    )  -3.811   4.100
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 60 and name N     )
       ( resid 60 and name HN    )  7.999   4.100
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 62 and name N     )
       ( resid 62 and name HN    )  -12.744   4.100
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 64 and name N     )
       ( resid 64 and name HN    )  23.061   4.100
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 65 and name N     )
       ( resid 65 and name HN    )  22.074   4.100
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 66 and name N     )
       ( resid 66 and name HN    )  12.218   4.100
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 67 and name N     )
       ( resid 67 and name HN    )  18.8   4.100
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 68 and name N     )
       ( resid 68 and name HN    )  25.062   4.100
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 70 and name N     )
       ( resid 70 and name HN    )  13.995   4.100
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 71 and name N     )
       ( resid 71 and name HN    )  23.419   4.100
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 72 and name N     )
       ( resid 72 and name HN    )  22.599   4.100
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 74 and name N     )
       ( resid 74 and name HN    )  21.201   4.100
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 75 and name N     )
       ( resid 75 and name HN    )  27.277   4.100
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 77 and name N     )
       ( resid 77 and name HN    )  9.316   4.100
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 79 and name N     )
       ( resid 79 and name HN    )  14.046   4.100


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           HT1      MET   1 -11.465  -0.475   5.292
    2    H2   MET   1           HT2      MET   1 -12.641   0.722   5.108
    3    H3   MET   1           HT3      MET   1 -11.703   0.671   6.509
    4    HA   MET   1           HA       MET   1  -9.758   1.243   5.388
    5    HB2  MET   1           HB2      MET   1  -9.933   1.825   2.847
    6    HB3  MET   1           HB1      MET   1  -9.771   0.146   3.335
    7    HG2  MET   1           HG2      MET   1 -12.402   1.457   2.596
    8    HG3  MET   1           HG1      MET   1 -11.401   0.500   1.496
    9    HE1  MET   1           HE1      MET   1 -13.355  -1.216   0.940
   10    HE2  MET   1           HE2      MET   1 -14.466  -0.292   1.953
   11    HE3  MET   1           HE3      MET   1 -14.322  -2.038   2.166
   12    HA   PRO   2           HA       PRO   2 -11.808   5.334   5.955
   13    HB2  PRO   2           HB2      PRO   2 -10.951   5.904   8.407
   14    HB3  PRO   2           HB1      PRO   2 -12.172   4.640   8.186
   15    HG2  PRO   2           HG2      PRO   2  -9.225   4.352   8.724
   16    HG3  PRO   2           HG1      PRO   2 -10.575   3.389   9.355
   17    HD2  PRO   2           HD2      PRO   2  -8.939   2.736   7.117
   18    HD3  PRO   2           HD1      PRO   2 -10.454   1.931   7.584
   19    H    THR   3           HN       THR   3  -9.440   4.756   4.392
   20    HA   THR   3           HA       THR   3  -7.108   5.921   5.594
   21    HB   THR   3           HB       THR   3  -6.101   5.315   3.245
   22    HG1  THR   3           HG1      THR   3  -7.488   3.518   2.376
   23   HG21  THR   3          HG21      THR   3  -7.196   3.147   5.081
   24   HG22  THR   3          HG22      THR   3  -5.681   4.028   5.314
   25   HG23  THR   3          HG23      THR   3  -5.876   2.959   3.924
   26    H    LEU   4           HN       LEU   4  -8.885   6.755   2.495
   27    HA   LEU   4           HA       LEU   4  -7.413   8.986   1.783
   28    HB2  LEU   4           HB2      LEU   4 -10.402   8.521   1.446
   29    HB3  LEU   4           HB1      LEU   4  -9.535   9.837   0.666
   30    HG   LEU   4           HG       LEU   4  -9.060   6.865   0.161
   31   HD11  LEU   4          HD11      LEU   4 -11.198   7.639  -0.761
   32   HD12  LEU   4          HD12      LEU   4 -10.048   7.296  -2.048
   33   HD13  LEU   4          HD13      LEU   4 -10.384   8.969  -1.593
   34   HD21  LEU   4          HD21      LEU   4  -6.979   8.154  -0.105
   35   HD22  LEU   4          HD22      LEU   4  -7.797   9.290  -1.179
   36   HD23  LEU   4          HD23      LEU   4  -7.576   7.609  -1.671
   37    H    ASP   5           HN       ASP   5 -10.158   8.820   4.017
   38    HA   ASP   5           HA       ASP   5 -10.478  11.470   4.792
   39    HB2  ASP   5           HB2      ASP   5 -12.013   9.707   5.505
   40    HB3  ASP   5           HB1      ASP   5 -10.742   8.907   6.423
   41    H    ALA   6           HN       ALA   6  -8.373   9.011   6.246
   42    HA   ALA   6           HA       ALA   6  -7.170  10.719   8.200
   43    HB1  ALA   6           HB1      ALA   6  -5.688   8.798   8.636
   44    HB2  ALA   6           HB2      ALA   6  -6.275   8.003   7.170
   45    HB3  ALA   6           HB3      ALA   6  -7.374   8.292   8.521
   46    H    LEU   7           HN       LEU   7  -6.449  10.017   4.866
   47    HA   LEU   7           HA       LEU   7  -3.628  10.675   5.032
   48    HB2  LEU   7           HB2      LEU   7  -5.396   9.838   2.706
   49    HB3  LEU   7           HB1      LEU   7  -3.696  10.237   2.522
   50    HG   LEU   7           HG       LEU   7  -4.812   7.907   4.141
   51   HD11  LEU   7          HD11      LEU   7  -3.281   7.904   1.514
   52   HD12  LEU   7          HD12      LEU   7  -4.995   7.532   1.730
   53   HD13  LEU   7          HD13      LEU   7  -3.771   6.477   2.432
   54   HD21  LEU   7          HD21      LEU   7  -2.459   7.215   4.450
   55   HD22  LEU   7          HD22      LEU   7  -2.791   8.768   5.213
   56   HD23  LEU   7          HD23      LEU   7  -1.917   8.708   3.678
   57    H    THR   8           HN       THR   8  -6.636  12.312   4.088
   58    HA   THR   8           HA       THR   8  -5.617  14.202   2.306
   59    HB   THR   8           HB       THR   8  -7.977  14.624   4.188
   60    HG1  THR   8           HG1      THR   8  -8.677  13.051   2.951
   61   HG21  THR   8          HG21      THR   8  -7.229  16.770   3.203
   62   HG22  THR   8          HG22      THR   8  -8.763  16.262   2.494
   63   HG23  THR   8          HG23      THR   8  -7.261  16.049   1.590
   64    HA   PRO   9           HA       PRO   9  -4.566  17.226   6.089
   65    HB2  PRO   9           HB2      PRO   9  -3.847  15.841   8.415
   66    HB3  PRO   9           HB1      PRO   9  -5.406  16.638   8.158
   67    HG2  PRO   9           HG2      PRO   9  -4.671  13.740   7.770
   68    HG3  PRO   9           HG1      PRO   9  -6.110  14.433   8.551
   69    HD2  PRO   9           HD2      PRO   9  -6.268  13.498   6.054
   70    HD3  PRO   9           HD1      PRO   9  -7.109  15.008   6.489
   71    H    ILE  10           HN       ILE  10  -3.173  13.959   5.717
   72    HA   ILE  10           HA       ILE  10  -0.476  14.629   6.398
   73    HB   ILE  10           HB       ILE  10  -1.506  12.284   4.735
   74   HG12  ILE  10          HG12      ILE  10  -2.481  12.290   7.002
   75   HG13  ILE  10          HG11      ILE  10  -1.345  10.958   6.830
   76   HG21  ILE  10          HG21      ILE  10   0.643  11.154   5.306
   77   HG22  ILE  10          HG22      ILE  10   1.224  12.651   6.033
   78   HG23  ILE  10          HG23      ILE  10   0.880  12.588   4.303
   79   HD11  ILE  10          HD11      ILE  10  -0.807  13.565   8.258
   80   HD12  ILE  10          HD12      ILE  10   0.332  12.225   8.088
   81   HD13  ILE  10          HD13      ILE  10  -1.158  12.006   9.003
   82    H    PHE  11           HN       PHE  11  -2.143  14.193   3.262
   83    HA   PHE  11           HA       PHE  11   0.114  14.810   1.619
   84    HB2  PHE  11           HB2      PHE  11  -2.866  14.617   1.015
   85    HB3  PHE  11           HB1      PHE  11  -1.680  15.004  -0.224
   86    HD1  PHE  11           HD2      PHE  11  -1.794  12.406   2.528
   87    HD2  PHE  11           HD1      PHE  11  -1.375  13.177  -1.657
   88    HE1  PHE  11           HE2      PHE  11  -1.490  10.004   2.113
   89    HE2  PHE  11           HE1      PHE  11  -1.076  10.773  -2.057
   90    HZ   PHE  11           HZ       PHE  11  -1.137   9.184  -0.181
   91    H    ARG  12           HN       ARG  12  -2.659  16.703   2.823
   92    HA   ARG  12           HA       ARG  12  -2.071  19.168   1.561
   93    HB2  ARG  12           HB2      ARG  12  -3.573  18.443   4.091
   94    HB3  ARG  12           HB1      ARG  12  -3.281  20.140   3.707
   95    HG2  ARG  12           HG2      ARG  12  -4.500  19.863   1.567
   96    HG3  ARG  12           HG1      ARG  12  -4.803  18.165   1.962
   97    HD2  ARG  12           HD2      ARG  12  -6.145  18.804   3.888
   98    HD3  ARG  12           HD1      ARG  12  -5.734  20.508   3.669
   99    HE   ARG  12           HE       ARG  12  -6.909  19.907   1.324
  100   HH11  ARG  12          HH11      ARG  12  -7.978  19.297   4.608
  101   HH12  ARG  12          HH12      ARG  12  -9.658  19.457   4.214
  102   HH21  ARG  12          HH21      ARG  12  -9.100  20.095   0.825
  103   HH22  ARG  12          HH22      ARG  12 -10.295  19.898   2.066
  104    H    GLN  13           HN       GLN  13  -0.685  17.628   4.425
  105    HA   GLN  13           HA       GLN  13   0.685  19.968   5.358
  106    HB2  GLN  13           HB2      GLN  13   0.031  18.060   6.858
  107    HB3  GLN  13           HB1      GLN  13   1.224  17.046   6.054
  108    HG2  GLN  13           HG2      GLN  13   2.127  17.869   8.156
  109    HG3  GLN  13           HG1      GLN  13   3.022  18.577   6.808
  110   HE21  GLN  13          HE21      GLN  13   3.724  20.399   7.903
  111   HE22  GLN  13          HE22      GLN  13   2.665  21.644   8.462
  112    H    VAL  14           HN       VAL  14   1.769  16.967   3.749
  113    HA   VAL  14           HA       VAL  14   4.483  17.501   3.463
  114    HB   VAL  14           HB       VAL  14   2.668  15.834   1.650
  115   HG11  VAL  14          HG11      VAL  14   5.710  15.796   1.843
  116   HG12  VAL  14          HG12      VAL  14   4.767  16.341   0.455
  117   HG13  VAL  14          HG13      VAL  14   4.737  14.642   0.926
  118   HG21  VAL  14          HG21      VAL  14   4.418  14.994   4.000
  119   HG22  VAL  14          HG22      VAL  14   3.501  13.895   2.965
  120   HG23  VAL  14          HG23      VAL  14   2.654  15.055   3.990
  121    H    PHE  15           HN       PHE  15   1.895  18.004   1.078
  122    HA   PHE  15           HA       PHE  15   3.680  19.376  -0.769
  123    HB2  PHE  15           HB2      PHE  15   0.697  18.791  -1.044
  124    HB3  PHE  15           HB1      PHE  15   1.779  19.331  -2.328
  125    HD1  PHE  15           HD2      PHE  15   3.913  17.784  -2.747
  126    HD2  PHE  15           HD1      PHE  15   0.323  16.459  -0.838
  127    HE1  PHE  15           HE2      PHE  15   4.516  15.445  -3.204
  128    HE2  PHE  15           HE1      PHE  15   0.942  14.129  -1.298
  129    HZ   PHE  15           HZ       PHE  15   3.041  13.625  -2.477
  130    H    ASP  16           HN       ASP  16   1.955  20.349   1.914
  131    HA   ASP  16           HA       ASP  16   1.366  22.286   2.845
  132    HB2  ASP  16           HB2      ASP  16   3.802  22.683   2.548
  133    HB3  ASP  16           HB1      ASP  16   3.489  23.450   0.990
  134    H    ASP  17           HN       ASP  17  -0.744  22.139   1.985
  135    HA   ASP  17           HA       ASP  17  -1.590  24.289   0.268
  136    HB2  ASP  17           HB2      ASP  17  -0.742  22.373  -1.276
  137    HB3  ASP  17           HB1      ASP  17  -2.119  21.438  -0.710
  138    H    ASP  18           HN       ASP  18  -4.036  24.029  -0.108
  139    HA   ASP  18           HA       ASP  18  -5.380  22.997   2.337
  140    HB2  ASP  18           HB2      ASP  18  -4.946  25.415   2.627
  141    HB3  ASP  18           HB1      ASP  18  -5.686  25.760   1.069
  142    H    SER  19           HN       SER  19  -5.433  23.641  -1.059
  143    HA   SER  19           HA       SER  19  -8.259  23.090  -1.458
  144    HB2  SER  19           HB2      SER  19  -6.071  23.600  -3.525
  145    HB3  SER  19           HB1      SER  19  -7.818  23.678  -3.788
  146    HG   SER  19           HG       SER  19  -7.657  25.325  -1.968
  147    H    ILE  20           HN       ILE  20  -5.311  21.229  -1.386
  148    HA   ILE  20           HA       ILE  20  -6.016  19.155  -3.206
  149    HB   ILE  20           HB       ILE  20  -4.137  19.110  -0.799
  150   HG12  ILE  20          HG12      ILE  20  -3.583  19.200  -3.807
  151   HG13  ILE  20          HG11      ILE  20  -3.377  20.536  -2.678
  152   HG21  ILE  20          HG21      ILE  20  -4.513  16.894  -2.861
  153   HG22  ILE  20          HG22      ILE  20  -4.943  16.804  -1.152
  154   HG23  ILE  20          HG23      ILE  20  -3.251  16.935  -1.631
  155   HD11  ILE  20          HD11      ILE  20  -1.796  17.964  -2.683
  156   HD12  ILE  20          HD12      ILE  20  -1.576  19.310  -1.561
  157   HD13  ILE  20          HD13      ILE  20  -1.252  19.528  -3.280
  158    H    VAL  21           HN       VAL  21  -7.817  18.005  -3.032
  159    HA   VAL  21           HA       VAL  21  -8.584  16.793  -0.438
  160    HB   VAL  21           HB       VAL  21 -10.455  17.328  -2.807
  161   HG11  VAL  21          HG11      VAL  21 -11.054  16.285  -0.005
  162   HG12  VAL  21          HG12      VAL  21 -11.075  15.330  -1.490
  163   HG13  VAL  21          HG13      VAL  21 -12.256  16.619  -1.256
  164   HG21  VAL  21          HG21      VAL  21  -9.865  19.466  -1.731
  165   HG22  VAL  21          HG22      VAL  21 -10.309  18.811  -0.152
  166   HG23  VAL  21          HG23      VAL  21 -11.547  19.043  -1.390
  167    H    LEU  22           HN       LEU  22  -8.351  14.616  -0.476
  168    HA   LEU  22           HA       LEU  22  -7.212  13.419  -2.843
  169    HB2  LEU  22           HB2      LEU  22  -7.815  12.206  -0.129
  170    HB3  LEU  22           HB1      LEU  22  -6.902  11.421  -1.419
  171    HG   LEU  22           HG       LEU  22  -6.084  13.915   0.131
  172   HD11  LEU  22          HD11      LEU  22  -4.860  11.150   0.015
  173   HD12  LEU  22          HD12      LEU  22  -5.814  11.816   1.342
  174   HD13  LEU  22          HD13      LEU  22  -4.258  12.529   0.938
  175   HD21  LEU  22          HD21      LEU  22  -3.981  13.881  -1.173
  176   HD22  LEU  22          HD22      LEU  22  -5.373  14.194  -2.203
  177   HD23  LEU  22          HD23      LEU  22  -4.628  12.593  -2.197
  178    H    THR  23           HN       THR  23  -8.090  12.104  -4.204
  179    HA   THR  23           HA       THR  23 -10.542  10.584  -3.619
  180    HB   THR  23           HB       THR  23 -11.203  10.814  -6.061
  181    HG1  THR  23           HG1      THR  23  -9.560  13.101  -6.230
  182   HG21  THR  23          HG21      THR  23 -12.375  12.201  -4.391
  183   HG22  THR  23          HG22      THR  23 -12.211  13.059  -5.924
  184   HG23  THR  23          HG23      THR  23 -11.151  13.461  -4.571
  185    H    ARG  24           HN       ARG  24 -10.573   8.635  -5.098
  186    HA   ARG  24           HA       ARG  24  -8.073   7.306  -4.944
  187    HB2  ARG  24           HB2      ARG  24 -10.687   6.479  -6.241
  188    HB3  ARG  24           HB1      ARG  24  -9.277   5.425  -6.127
  189    HG2  ARG  24           HG2      ARG  24  -9.402   5.739  -3.598
  190    HG3  ARG  24           HG1      ARG  24 -10.975   6.503  -3.859
  191    HD2  ARG  24           HD2      ARG  24 -11.173   4.089  -3.284
  192    HD3  ARG  24           HD1      ARG  24 -11.825   4.447  -4.884
  193    HE   ARG  24           HE       ARG  24 -10.011   3.368  -5.888
  194   HH11  ARG  24          HH11      ARG  24  -9.760   3.135  -2.388
  195   HH12  ARG  24          HH12      ARG  24  -8.510   1.931  -2.457
  196   HH21  ARG  24          HH21      ARG  24  -8.366   1.848  -5.948
  197   HH22  ARG  24          HH22      ARG  24  -7.731   1.204  -4.464
  198    H    GLU  25           HN       GLU  25  -9.322   9.328  -7.401
  199    HA   GLU  25           HA       GLU  25  -7.792   8.087  -9.578
  200    HB2  GLU  25           HB2      GLU  25  -9.054   9.625 -11.018
  201    HB3  GLU  25           HB1      GLU  25 -10.145   8.728  -9.964
  202    HG2  GLU  25           HG2      GLU  25 -10.154  10.751  -8.424
  203    HG3  GLU  25           HG1      GLU  25  -9.299  11.632  -9.692
  204    H    THR  26           HN       THR  26  -7.479  10.633  -7.247
  205    HA   THR  26           HA       THR  26  -5.942  12.533  -8.713
  206    HB   THR  26           HB       THR  26  -5.912  11.961  -5.706
  207    HG1  THR  26           HG1      THR  26  -7.838  12.901  -7.215
  208   HG21  THR  26          HG21      THR  26  -3.942  13.319  -6.359
  209   HG22  THR  26          HG22      THR  26  -5.105  14.290  -5.453
  210   HG23  THR  26          HG23      THR  26  -5.002  14.455  -7.208
  211    H    SER  27           HN       SER  27  -3.846  12.472  -9.336
  212    HA   SER  27           HA       SER  27  -1.923  10.619  -8.060
  213    HB2  SER  27           HB2      SER  27  -0.987  10.158 -10.347
  214    HB3  SER  27           HB1      SER  27  -2.650   9.593 -10.180
  215    HG   SER  27           HG       SER  27  -3.335  11.449 -11.296
  216    H    ALA  28           HN       ALA  28   0.378  11.271  -9.038
  217    HA   ALA  28           HA       ALA  28   1.102  13.859  -8.341
  218    HB1  ALA  28           HB1      ALA  28   2.541  11.972 -10.233
  219    HB2  ALA  28           HB2      ALA  28   2.694  11.992  -8.474
  220    HB3  ALA  28           HB3      ALA  28   3.258  13.370  -9.421
  221    H    ASN  29           HN       ASN  29  -0.026  12.584 -11.450
  222    HA   ASN  29           HA       ASN  29   0.760  14.763 -13.091
  223    HB2  ASN  29           HB2      ASN  29   0.209  12.522 -13.999
  224    HB3  ASN  29           HB1      ASN  29  -1.464  12.719 -13.489
  225   HD21  ASN  29          HD21      ASN  29   1.008  13.887 -15.707
  226   HD22  ASN  29          HD22      ASN  29  -0.080  14.548 -16.874
  227    H    ASP  30           HN       ASP  30  -1.976  14.246 -10.959
  228    HA   ASP  30           HA       ASP  30  -3.551  16.482 -11.924
  229    HB2  ASP  30           HB2      ASP  30  -3.784  14.768  -9.403
  230    HB3  ASP  30           HB1      ASP  30  -4.918  16.049  -9.824
  231    H    ILE  31           HN       ILE  31  -0.851  16.136  -9.790
  232    HA   ILE  31           HA       ILE  31  -1.392  18.754  -8.511
  233    HB   ILE  31           HB       ILE  31  -0.042  16.309  -7.269
  234   HG12  ILE  31          HG12      ILE  31  -2.636  17.765  -6.539
  235   HG13  ILE  31          HG11      ILE  31  -2.519  16.175  -7.280
  236   HG21  ILE  31          HG21      ILE  31   0.246  17.666  -5.207
  237   HG22  ILE  31          HG22      ILE  31  -0.352  19.086  -6.061
  238   HG23  ILE  31          HG23      ILE  31   1.164  18.336  -6.558
  239   HD11  ILE  31          HD11      ILE  31  -1.589  16.894  -4.500
  240   HD12  ILE  31          HD12      ILE  31  -1.506  15.296  -5.245
  241   HD13  ILE  31          HD13      ILE  31  -3.070  16.037  -4.922
  242    H    ASP  32           HN       ASP  32  -0.254  19.920 -10.055
  243    HA   ASP  32           HA       ASP  32   2.530  19.532 -10.643
  244    HB2  ASP  32           HB2      ASP  32   0.759  22.007 -10.935
  245    HB3  ASP  32           HB1      ASP  32   2.450  21.964 -11.427
  246    H    ALA  33           HN       ALA  33   3.808  19.397  -8.976
  247    HA   ALA  33           HA       ALA  33   4.814  21.023  -7.120
  248    HB1  ALA  33           HB1      ALA  33   3.489  20.769  -5.014
  249    HB2  ALA  33           HB2      ALA  33   2.204  19.957  -5.918
  250    HB3  ALA  33           HB3      ALA  33   2.581  21.650  -6.242
  251    H    TRP  34           HN       TRP  34   3.041  18.003  -7.394
  252    HA   TRP  34           HA       TRP  34   4.695  16.416  -5.659
  253    HB2  TRP  34           HB2      TRP  34   2.176  16.109  -6.245
  254    HB3  TRP  34           HB1      TRP  34   2.713  15.412  -7.764
  255    HD1  TRP  34           HD1      TRP  34   5.173  13.671  -6.265
  256    HE1  TRP  34           HE1      TRP  34   4.460  11.551  -5.020
  257    HE3  TRP  34           HE3      TRP  34   0.196  14.671  -5.683
  258    HZ2  TRP  34           HZ2      TRP  34   2.136  10.431  -3.927
  259    HZ3  TRP  34           HZ3      TRP  34  -1.213  13.015  -4.526
  260    HH2  TRP  34           HH2      TRP  34  -0.259  10.933  -3.666
  261    H    ASP  35           HN       ASP  35   6.701  15.824  -6.276
  262    HA   ASP  35           HA       ASP  35   7.197  14.758  -8.978
  263    HB2  ASP  35           HB2      ASP  35   9.342  15.900  -9.129
  264    HB3  ASP  35           HB1      ASP  35   8.111  17.120  -8.834
  265    H    SER  36           HN       SER  36   9.754  13.800  -8.639
  266    HA   SER  36           HA       SER  36   9.646  11.508  -7.177
  267    HB2  SER  36           HB2      SER  36  12.036  13.152  -8.091
  268    HB3  SER  36           HB1      SER  36  12.235  11.588  -7.315
  269    H    LEU  37           HN       LEU  37  11.228  14.528  -6.148
  270    HA   LEU  37           HA       LEU  37  12.190  13.587  -3.659
  271    HB2  LEU  37           HB2      LEU  37  12.784  15.723  -5.125
  272    HB3  LEU  37           HB1      LEU  37  11.581  16.513  -4.133
  273    HG   LEU  37           HG       LEU  37  13.896  16.937  -3.363
  274   HD11  LEU  37          HD11      LEU  37  13.642  16.477  -0.984
  275   HD12  LEU  37          HD12      LEU  37  12.326  15.350  -1.326
  276   HD13  LEU  37          HD13      LEU  37  12.141  17.066  -1.696
  277   HD21  LEU  37          HD21      LEU  37  14.940  14.836  -4.062
  278   HD22  LEU  37          HD22      LEU  37  14.086  13.966  -2.783
  279   HD23  LEU  37          HD23      LEU  37  15.285  15.195  -2.370
  280    H    SER  38           HN       SER  38   9.213  15.309  -4.540
  281    HA   SER  38           HA       SER  38   8.259  15.648  -1.837
  282    HB2  SER  38           HB2      SER  38   6.808  15.942  -4.495
  283    HB3  SER  38           HB1      SER  38   6.160  16.434  -2.929
  284    HG   SER  38           HG       SER  38   8.361  17.490  -4.340
  285    H    HIS  39           HN       HIS  39   7.858  13.257  -4.326
  286    HA   HIS  39           HA       HIS  39   5.759  11.703  -3.227
  287    HB2  HIS  39           HB2      HIS  39   6.666  11.588  -5.599
  288    HB3  HIS  39           HB1      HIS  39   8.053  10.710  -4.974
  289    HD2  HIS  39           HD2      HIS  39   7.669   8.173  -5.741
  290    HE1  HIS  39           HE1      HIS  39   3.501   7.992  -5.187
  291    HE2  HIS  39           HE2      HIS  39   5.574   6.662  -5.737
  292    H    MET  40           HN       MET  40   9.285  11.586  -2.869
  293    HA   MET  40           HA       MET  40   9.374   9.345  -1.094
  294    HB2  MET  40           HB2      MET  40  11.367  11.594  -1.590
  295    HB3  MET  40           HB1      MET  40  11.691  10.219  -0.535
  296    HG2  MET  40           HG2      MET  40  11.155  10.107  -3.514
  297    HG3  MET  40           HG1      MET  40  12.709   9.877  -2.710
  298    HE1  MET  40           HE1      MET  40  11.880   8.034  -0.170
  299    HE2  MET  40           HE2      MET  40  13.288   7.724  -1.189
  300    HE3  MET  40           HE3      MET  40  12.133   6.432  -0.861
  301    H    ASN  41           HN       ASN  41   9.165  12.858  -0.667
  302    HA   ASN  41           HA       ASN  41   9.291  13.013   2.143
  303    HB2  ASN  41           HB2      ASN  41   7.813  14.789   0.150
  304    HB3  ASN  41           HB1      ASN  41   7.968  15.178   1.861
  305   HD21  ASN  41          HD21      ASN  41   8.888  16.657  -0.436
  306   HD22  ASN  41          HD22      ASN  41  10.593  16.847  -0.255
  307    H    LEU  42           HN       LEU  42   6.583  12.436  -0.062
  308    HA   LEU  42           HA       LEU  42   4.487  12.449   1.805
  309    HB2  LEU  42           HB2      LEU  42   4.311  12.655  -0.701
  310    HB3  LEU  42           HB1      LEU  42   4.644  10.945  -0.846
  311    HG   LEU  42           HG       LEU  42   2.195  11.747  -1.071
  312   HD11  LEU  42          HD11      LEU  42   2.746   9.500   0.885
  313   HD12  LEU  42          HD12      LEU  42   2.750   9.377  -0.873
  314   HD13  LEU  42          HD13      LEU  42   1.255   9.752  -0.027
  315   HD21  LEU  42          HD21      LEU  42   2.188  13.267   0.863
  316   HD22  LEU  42          HD22      LEU  42   2.376  11.892   1.955
  317   HD23  LEU  42          HD23      LEU  42   0.918  12.053   0.979
  318    H    ILE  43           HN       ILE  43   6.361   9.709   0.453
  319    HA   ILE  43           HA       ILE  43   4.978   7.691   1.892
  320    HB   ILE  43           HB       ILE  43   7.496   7.727   0.235
  321   HG12  ILE  43          HG12      ILE  43   6.341   5.877  -0.993
  322   HG13  ILE  43          HG11      ILE  43   5.029   5.909   0.179
  323   HG21  ILE  43          HG21      ILE  43   8.017   5.349   0.722
  324   HG22  ILE  43          HG22      ILE  43   6.836   5.365   2.032
  325   HG23  ILE  43          HG23      ILE  43   8.272   6.386   2.127
  326   HD11  ILE  43          HD11      ILE  43   4.402   6.973  -1.882
  327   HD12  ILE  43          HD12      ILE  43   5.759   8.092  -1.762
  328   HD13  ILE  43          HD13      ILE  43   4.445   8.165  -0.583
  329    H    VAL  44           HN       VAL  44   8.044   9.471   2.662
  330    HA   VAL  44           HA       VAL  44   8.621   7.928   4.974
  331    HB   VAL  44           HB       VAL  44  10.216   9.636   5.655
  332   HG11  VAL  44          HG11      VAL  44  11.718   9.600   3.697
  333   HG12  VAL  44          HG12      VAL  44  10.372   9.091   2.679
  334   HG13  VAL  44          HG13      VAL  44  10.953   8.031   3.965
  335   HG21  VAL  44          HG21      VAL  44   8.973  11.688   5.123
  336   HG22  VAL  44          HG22      VAL  44   9.160  11.360   3.398
  337   HG23  VAL  44          HG23      VAL  44  10.578  11.717   4.384
  338    H    SER  45           HN       SER  45   6.560  10.728   4.475
  339    HA   SER  45           HA       SER  45   5.969  11.328   7.181
  340    HB2  SER  45           HB2      SER  45   4.239  11.647   4.698
  341    HB3  SER  45           HB1      SER  45   3.849  12.335   6.275
  342    HG   SER  45           HG       SER  45   5.592  13.196   4.381
  343    H    LEU  46           HN       LEU  46   4.553   8.968   4.907
  344    HA   LEU  46           HA       LEU  46   2.545   8.002   6.711
  345    HB2  LEU  46           HB2      LEU  46   3.796   6.587   4.324
  346    HB3  LEU  46           HB1      LEU  46   2.283   6.148   5.109
  347    HG   LEU  46           HG       LEU  46   2.800   8.719   3.549
  348   HD11  LEU  46          HD11      LEU  46   1.093   6.323   2.815
  349   HD12  LEU  46          HD12      LEU  46   2.634   6.780   2.083
  350   HD13  LEU  46          HD13      LEU  46   1.230   7.826   1.894
  351   HD21  LEU  46          HD21      LEU  46   0.239   7.780   4.883
  352   HD22  LEU  46          HD22      LEU  46   0.392   9.181   3.817
  353   HD23  LEU  46          HD23      LEU  46   1.234   9.159   5.363
  354    H    GLU  47           HN       GLU  47   5.885   7.130   6.064
  355    HA   GLU  47           HA       GLU  47   6.142   4.719   7.481
  356    HB2  GLU  47           HB2      GLU  47   8.219   6.911   7.042
  357    HB3  GLU  47           HB1      GLU  47   8.584   5.281   7.599
  358    HG2  GLU  47           HG2      GLU  47   7.323   5.898   4.921
  359    HG3  GLU  47           HG1      GLU  47   9.055   5.758   5.161
  360    H    VAL  48           HN       VAL  48   6.751   8.089   8.553
  361    HA   VAL  48           HA       VAL  48   7.345   7.297  11.239
  362    HB   VAL  48           HB       VAL  48   7.430   9.732  11.762
  363   HG11  VAL  48          HG11      VAL  48   9.414  10.239  10.357
  364   HG12  VAL  48          HG12      VAL  48   8.980   8.908   9.281
  365   HG13  VAL  48          HG13      VAL  48   9.438   8.571  10.952
  366   HG21  VAL  48          HG21      VAL  48   7.254  11.422   9.961
  367   HG22  VAL  48          HG22      VAL  48   5.718  10.595  10.211
  368   HG23  VAL  48          HG23      VAL  48   6.722  10.158   8.832
  369    H    HIS  49           HN       HIS  49   4.492   8.876   9.755
  370    HA   HIS  49           HA       HIS  49   3.111   9.361  12.183
  371    HB2  HIS  49           HB2      HIS  49   2.273   9.439   9.271
  372    HB3  HIS  49           HB1      HIS  49   1.069   9.639  10.538
  373    HD1  HIS  49           HD1      HIS  49   1.089  11.820  11.873
  374    HD2  HIS  49           HD2      HIS  49   4.085  11.622   9.015
  375    HE1  HIS  49           HE1      HIS  49   2.105  14.113  11.805
  376    HE2  HIS  49           HE2      HIS  49   4.025  13.915  10.202
  377    H    TYR  50           HN       TYR  50   2.466   6.871   9.662
  378    HA   TYR  50           HA       TYR  50   0.532   5.552  11.458
  379    HB2  TYR  50           HB2      TYR  50   1.214   5.014   8.539
  380    HB3  TYR  50           HB1      TYR  50  -0.055   4.202   9.447
  381    HD1  TYR  50           HD1      TYR  50  -2.125   5.449  10.118
  382    HD2  TYR  50           HD2      TYR  50   0.876   7.268   7.669
  383    HE1  TYR  50           HE1      TYR  50  -3.716   7.210   9.480
  384    HE2  TYR  50           HE2      TYR  50  -0.724   9.020   7.026
  385    HH   TYR  50           HH       TYR  50  -3.155   9.348   6.905
  386    H    LYS  51           HN       LYS  51   3.796   5.369  10.832
  387    HA   LYS  51           HA       LYS  51   5.471   3.964  11.315
  388    HB2  LYS  51           HB2      LYS  51   3.332   2.513  12.912
  389    HB3  LYS  51           HB1      LYS  51   4.994   1.946  12.863
  390    HG2  LYS  51           HG2      LYS  51   4.717   3.202  14.876
  391    HG3  LYS  51           HG1      LYS  51   5.730   4.156  13.790
  392    HD2  LYS  51           HD2      LYS  51   3.741   5.522  13.176
  393    HD3  LYS  51           HD1      LYS  51   2.760   4.582  14.303
  394    HE2  LYS  51           HE2      LYS  51   4.117   5.395  16.183
  395    HE3  LYS  51           HE1      LYS  51   5.161   6.279  15.067
  396    HZ1  LYS  51           HZ1      LYS  51   3.562   7.740  16.068
  397    HZ2  LYS  51           HZ2      LYS  51   2.277   6.777  15.534
  398    HZ3  LYS  51           HZ3      LYS  51   3.238   7.601  14.412
  399    H    ILE  52           HN       ILE  52   3.889   3.578   8.844
  400    HA   ILE  52           HA       ILE  52   3.802   0.643   8.496
  401    HB   ILE  52           HB       ILE  52   2.299   1.081   6.583
  402   HG12  ILE  52          HG12      ILE  52   2.411   4.011   7.443
  403   HG13  ILE  52          HG11      ILE  52   3.042   3.356   5.936
  404   HG21  ILE  52          HG21      ILE  52   1.355   2.324   9.191
  405   HG22  ILE  52          HG22      ILE  52   1.352   0.606   8.796
  406   HG23  ILE  52          HG23      ILE  52   0.301   1.712   7.912
  407   HD11  ILE  52          HD11      ILE  52   0.149   3.482   6.767
  408   HD12  ILE  52          HD12      ILE  52   0.746   2.735   5.282
  409   HD13  ILE  52          HD13      ILE  52   0.950   4.470   5.544
  410    H    LYS  53           HN       LYS  53   4.775  -0.323   6.731
  411    HA   LYS  53           HA       LYS  53   7.094   1.130   5.611
  412    HB2  LYS  53           HB2      LYS  53   6.531  -1.815   6.155
  413    HB3  LYS  53           HB1      LYS  53   7.910  -1.298   5.197
  414    HG2  LYS  53           HG2      LYS  53   7.432  -0.452   8.070
  415    HG3  LYS  53           HG1      LYS  53   8.413  -1.842   7.593
  416    HD2  LYS  53           HD2      LYS  53   8.948   1.089   6.974
  417    HD3  LYS  53           HD1      LYS  53   9.883   0.038   8.039
  418    HE2  LYS  53           HE2      LYS  53   9.690  -0.102   5.010
  419    HE3  LYS  53           HE1      LYS  53  11.109   0.301   5.977
  420    HZ1  LYS  53           HZ1      LYS  53   9.761  -2.340   5.852
  421    HZ2  LYS  53           HZ2      LYS  53  11.069  -1.969   6.851
  422    HZ3  LYS  53           HZ3      LYS  53  11.257  -1.944   5.175
  423    H    PHE  54           HN       PHE  54   7.013   1.628   3.463
  424    HA   PHE  54           HA       PHE  54   5.469  -0.075   1.591
  425    HB2  PHE  54           HB2      PHE  54   6.508   2.781   1.212
  426    HB3  PHE  54           HB1      PHE  54   5.641   1.847  -0.004
  427    HD1  PHE  54           HD2      PHE  54   3.215   1.331   0.268
  428    HD2  PHE  54           HD1      PHE  54   5.327   3.782   3.089
  429    HE1  PHE  54           HE2      PHE  54   1.090   2.136   1.200
  430    HE2  PHE  54           HE1      PHE  54   3.184   4.553   3.993
  431    HZ   PHE  54           HZ       PHE  54   1.072   3.735   3.050
  432    H    ALA  55           HN       ALA  55   6.513  -1.202   0.107
  433    HA   ALA  55           HA       ALA  55   9.437  -1.104  -0.136
  434    HB1  ALA  55           HB1      ALA  55   9.151  -3.240  -1.356
  435    HB2  ALA  55           HB2      ALA  55   7.396  -3.091  -1.220
  436    HB3  ALA  55           HB3      ALA  55   8.380  -3.308   0.230
  437    H    LEU  56           HN       LEU  56  10.410  -0.668  -2.168
  438    HA   LEU  56           HA       LEU  56   9.175   1.219  -3.847
  439    HB2  LEU  56           HB2      LEU  56  11.718   0.696  -3.413
  440    HB3  LEU  56           HB1      LEU  56  11.567  -0.465  -4.712
  441    HG   LEU  56           HG       LEU  56  12.585   1.775  -5.347
  442   HD11  LEU  56          HD11      LEU  56  10.110   1.054  -6.920
  443   HD12  LEU  56          HD12      LEU  56  11.713   0.340  -7.098
  444   HD13  LEU  56          HD13      LEU  56  11.464   2.039  -7.487
  445   HD21  LEU  56          HD21      LEU  56   9.773   2.850  -4.994
  446   HD22  LEU  56          HD22      LEU  56  11.164   3.728  -5.639
  447   HD23  LEU  56          HD23      LEU  56  11.158   3.204  -3.957
  448    H    GLY  57           HN       GLY  57   9.328  -2.298  -4.038
  449    HA2  GLY  57           HA2      GLY  57   8.341  -2.766  -6.636
  450    HA3  GLY  57           HA1      GLY  57   8.111  -3.825  -5.251
  451    H    GLU  58           HN       GLU  58   6.681  -1.947  -3.638
  452    HA   GLU  58           HA       GLU  58   3.996  -2.172  -4.714
  453    HB2  GLU  58           HB2      GLU  58   4.907  -0.840  -2.129
  454    HB3  GLU  58           HB1      GLU  58   3.262  -1.346  -2.536
  455    HG2  GLU  58           HG2      GLU  58   4.019  -3.704  -2.580
  456    HG3  GLU  58           HG1      GLU  58   5.645  -3.185  -2.122
  457    H    LEU  59           HN       LEU  59   6.413   0.371  -4.273
  458    HA   LEU  59           HA       LEU  59   4.832   2.630  -4.908
  459    HB2  LEU  59           HB2      LEU  59   7.778   2.004  -5.007
  460    HB3  LEU  59           HB1      LEU  59   7.231   3.433  -5.842
  461    HG   LEU  59           HG       LEU  59   8.153   3.864  -3.546
  462   HD11  LEU  59          HD11      LEU  59   5.269   4.673  -3.938
  463   HD12  LEU  59          HD12      LEU  59   6.687   5.476  -4.616
  464   HD13  LEU  59          HD13      LEU  59   6.440   5.458  -2.871
  465   HD21  LEU  59          HD21      LEU  59   7.301   1.893  -2.363
  466   HD22  LEU  59          HD22      LEU  59   5.644   2.472  -2.548
  467   HD23  LEU  59          HD23      LEU  59   6.794   3.378  -1.561
  468    H    GLN  60           HN       GLN  60   6.555   0.281  -6.979
  469    HA   GLN  60           HA       GLN  60   5.944   1.257  -9.520
  470    HB2  GLN  60           HB2      GLN  60   5.858  -1.687  -8.740
  471    HB3  GLN  60           HB1      GLN  60   6.182  -1.037 -10.340
  472    HG2  GLN  60           HG2      GLN  60   7.999  -0.693  -7.941
  473    HG3  GLN  60           HG1      GLN  60   8.178  -1.953  -9.150
  474   HE21  GLN  60          HE21      GLN  60  10.263  -1.265  -9.651
  475   HE22  GLN  60          HE22      GLN  60  10.577   0.182 -10.543
  476    H    LYS  61           HN       LYS  61   3.823  -0.132  -7.159
  477    HA   LYS  61           HA       LYS  61   1.555  -0.464  -9.004
  478    HB2  LYS  61           HB2      LYS  61   1.797  -1.107  -6.038
  479    HB3  LYS  61           HB1      LYS  61   0.434  -1.530  -7.062
  480    HG2  LYS  61           HG2      LYS  61   3.157  -2.566  -7.819
  481    HG3  LYS  61           HG1      LYS  61   2.344  -3.289  -6.436
  482    HD2  LYS  61           HD2      LYS  61   1.881  -4.635  -8.389
  483    HD3  LYS  61           HD1      LYS  61   0.388  -3.838  -7.904
  484    HE2  LYS  61           HE2      LYS  61   0.676  -2.199  -9.727
  485    HE3  LYS  61           HE1      LYS  61   2.199  -2.965 -10.184
  486    HZ1  LYS  61           HZ1      LYS  61  -0.460  -4.272 -10.228
  487    HZ2  LYS  61           HZ2      LYS  61   1.000  -4.972 -10.705
  488    HZ3  LYS  61           HZ3      LYS  61   0.365  -3.671 -11.575
  489    H    LEU  62           HN       LEU  62   2.832   1.996  -7.014
  490    HA   LEU  62           HA       LEU  62   0.243   3.084  -6.139
  491    HB2  LEU  62           HB2      LEU  62   3.097   3.991  -5.555
  492    HB3  LEU  62           HB1      LEU  62   1.664   4.820  -4.963
  493    HG   LEU  62           HG       LEU  62   2.530   1.999  -4.217
  494   HD11  LEU  62          HD11      LEU  62   3.928   3.695  -3.165
  495   HD12  LEU  62          HD12      LEU  62   2.902   2.910  -1.967
  496   HD13  LEU  62          HD13      LEU  62   2.499   4.530  -2.548
  497   HD21  LEU  62          HD21      LEU  62   0.656   2.051  -2.601
  498   HD22  LEU  62          HD22      LEU  62   0.116   2.087  -4.272
  499   HD23  LEU  62          HD23      LEU  62   0.099   3.566  -3.312
  500    H    LYS  63           HN       LYS  63  -0.459   3.532  -8.388
  501    HA   LYS  63           HA       LYS  63   0.952   5.652  -9.834
  502    HB2  LYS  63           HB2      LYS  63  -0.203   3.591 -10.929
  503    HB3  LYS  63           HB1      LYS  63  -1.724   4.427 -10.659
  504    HG2  LYS  63           HG2      LYS  63   0.577   5.591 -12.280
  505    HG3  LYS  63           HG1      LYS  63  -0.717   4.637 -12.995
  506    HD2  LYS  63           HD2      LYS  63  -2.372   6.331 -12.400
  507    HD3  LYS  63           HD1      LYS  63  -1.179   7.237 -11.480
  508    HE2  LYS  63           HE2      LYS  63  -1.542   8.354 -13.591
  509    HE3  LYS  63           HE1      LYS  63   0.083   7.665 -13.592
  510    HZ1  LYS  63           HZ1      LYS  63  -1.034   7.288 -15.675
  511    HZ2  LYS  63           HZ2      LYS  63  -2.307   6.502 -14.895
  512    HZ3  LYS  63           HZ3      LYS  63  -0.765   5.819 -14.890
  513    H    ASN  64           HN       ASN  64  -1.861   5.241  -7.790
  514    HA   ASN  64           HA       ASN  64  -2.394   8.155  -7.851
  515    HB2  ASN  64           HB2      ASN  64  -4.579   5.994  -7.924
  516    HB3  ASN  64           HB1      ASN  64  -4.852   7.731  -7.792
  517   HD21  ASN  64          HD21      ASN  64  -3.980   5.124  -9.915
  518   HD22  ASN  64          HD22      ASN  64  -4.133   6.003 -11.396
  519    H    VAL  65           HN       VAL  65  -3.811   8.769  -6.013
  520    HA   VAL  65           HA       VAL  65  -2.872   7.864  -3.492
  521    HB   VAL  65           HB       VAL  65  -5.280   9.668  -4.063
  522   HG11  VAL  65          HG11      VAL  65  -4.886  10.576  -1.790
  523   HG12  VAL  65          HG12      VAL  65  -3.576   9.418  -1.551
  524   HG13  VAL  65          HG13      VAL  65  -5.234   8.846  -1.734
  525   HG21  VAL  65          HG21      VAL  65  -3.241  10.554  -5.154
  526   HG22  VAL  65          HG22      VAL  65  -2.374  10.477  -3.618
  527   HG23  VAL  65          HG23      VAL  65  -3.738  11.582  -3.808
  528    H    GLY  66           HN       GLY  66  -5.482   6.845  -5.539
  529    HA2  GLY  66           HA2      GLY  66  -7.104   5.466  -3.649
  530    HA3  GLY  66           HA1      GLY  66  -6.989   5.129  -5.371
  531    H    ASP  67           HN       ASP  67  -4.264   4.562  -5.554
  532    HA   ASP  67           HA       ASP  67  -4.026   1.883  -4.666
  533    HB2  ASP  67           HB2      ASP  67  -1.862   3.798  -5.652
  534    HB3  ASP  67           HB1      ASP  67  -1.671   2.054  -5.477
  535    H    LEU  68           HN       LEU  68  -2.738   4.990  -3.402
  536    HA   LEU  68           HA       LEU  68  -1.369   3.920  -1.171
  537    HB2  LEU  68           HB2      LEU  68  -2.502   6.659  -1.767
  538    HB3  LEU  68           HB1      LEU  68  -2.002   6.313  -0.129
  539    HG   LEU  68           HG       LEU  68  -0.220   7.475  -1.225
  540   HD11  LEU  68          HD11      LEU  68   0.474   5.751   0.352
  541   HD12  LEU  68          HD12      LEU  68   1.659   5.927  -0.940
  542   HD13  LEU  68          HD13      LEU  68   0.548   4.554  -0.945
  543   HD21  LEU  68          HD21      LEU  68   0.911   6.662  -3.238
  544   HD22  LEU  68          HD22      LEU  68  -0.790   7.004  -3.556
  545   HD23  LEU  68          HD23      LEU  68  -0.246   5.332  -3.372
  546    H    ALA  69           HN       ALA  69  -4.782   4.802  -1.628
  547    HA   ALA  69           HA       ALA  69  -5.651   4.636   1.040
  548    HB1  ALA  69           HB1      ALA  69  -7.907   4.307   0.105
  549    HB2  ALA  69           HB2      ALA  69  -7.210   3.968  -1.481
  550    HB3  ALA  69           HB3      ALA  69  -7.042   5.574  -0.769
  551    H    ASP  70           HN       ASP  70  -5.388   2.208  -1.502
  552    HA   ASP  70           HA       ASP  70  -6.269  -0.081  -0.092
  553    HB2  ASP  70           HB2      ASP  70  -4.230   0.028  -2.357
  554    HB3  ASP  70           HB1      ASP  70  -5.148  -1.393  -1.851
  555    H    LEU  71           HN       LEU  71  -2.996   1.132  -0.777
  556    HA   LEU  71           HA       LEU  71  -1.594  -1.000   0.407
  557    HB2  LEU  71           HB2      LEU  71  -0.902   1.532  -0.934
  558    HB3  LEU  71           HB1      LEU  71   0.212   1.186   0.362
  559    HG   LEU  71           HG       LEU  71   1.101   0.355  -1.744
  560   HD11  LEU  71          HD11      LEU  71   0.271  -1.925   0.063
  561   HD12  LEU  71          HD12      LEU  71   1.679  -0.877   0.265
  562   HD13  LEU  71          HD13      LEU  71   1.580  -1.954  -1.125
  563   HD21  LEU  71          HD21      LEU  71  -1.385  -1.380  -1.946
  564   HD22  LEU  71          HD22      LEU  71   0.014  -1.435  -3.023
  565   HD23  LEU  71          HD23      LEU  71  -0.989   0.009  -2.962
  566    H    VAL  72           HN       VAL  72  -1.957   2.369   1.591
  567    HA   VAL  72           HA       VAL  72  -0.888   2.221   4.098
  568    HB   VAL  72           HB       VAL  72  -3.332   3.822   3.199
  569   HG11  VAL  72          HG11      VAL  72  -2.949   5.303   5.173
  570   HG12  VAL  72          HG12      VAL  72  -1.732   4.172   5.766
  571   HG13  VAL  72          HG13      VAL  72  -3.416   3.665   5.652
  572   HG21  VAL  72          HG21      VAL  72  -0.422   4.672   3.522
  573   HG22  VAL  72          HG22      VAL  72  -1.751   5.725   3.028
  574   HG23  VAL  72          HG23      VAL  72  -1.247   4.392   1.987
  575    H    ASP  73           HN       ASP  73  -4.254   1.306   3.137
  576    HA   ASP  73           HA       ASP  73  -5.083   0.646   5.799
  577    HB2  ASP  73           HB2      ASP  73  -6.673   1.162   3.900
  578    HB3  ASP  73           HB1      ASP  73  -6.311  -0.424   3.227
  579    H    LYS  74           HN       LYS  74  -3.606  -1.223   3.222
  580    HA   LYS  74           HA       LYS  74  -3.989  -3.821   4.398
  581    HB2  LYS  74           HB2      LYS  74  -1.908  -2.978   2.335
  582    HB3  LYS  74           HB1      LYS  74  -2.225  -4.643   2.826
  583    HG2  LYS  74           HG2      LYS  74  -4.065  -2.778   1.306
  584    HG3  LYS  74           HG1      LYS  74  -3.350  -4.292   0.748
  585    HD2  LYS  74           HD2      LYS  74  -4.763  -5.547   2.350
  586    HD3  LYS  74           HD1      LYS  74  -5.444  -4.034   2.952
  587    HE2  LYS  74           HE2      LYS  74  -6.325  -3.607   0.604
  588    HE3  LYS  74           HE1      LYS  74  -5.820  -5.248   0.188
  589    HZ1  LYS  74           HZ1      LYS  74  -7.749  -4.504   2.308
  590    HZ2  LYS  74           HZ2      LYS  74  -7.272  -6.083   1.933
  591    HZ3  LYS  74           HZ3      LYS  74  -8.136  -5.167   0.803
  592    H    LYS  75           HN       LYS  75  -1.509  -1.359   4.644
  593    HA   LYS  75           HA       LYS  75   0.370  -2.864   6.184
  594    HB2  LYS  75           HB2      LYS  75   0.025   0.153   5.895
  595    HB3  LYS  75           HB1      LYS  75   1.429  -0.661   6.581
  596    HG2  LYS  75           HG2      LYS  75   0.498  -0.820   3.707
  597    HG3  LYS  75           HG1      LYS  75   1.890   0.086   4.310
  598    HD2  LYS  75           HD2      LYS  75   3.022  -1.958   4.940
  599    HD3  LYS  75           HD1      LYS  75   1.596  -2.930   4.554
  600    HE2  LYS  75           HE2      LYS  75   1.817  -2.334   2.180
  601    HE3  LYS  75           HE1      LYS  75   3.212  -1.320   2.557
  602    HZ1  LYS  75           HZ1      LYS  75   3.038  -4.243   2.954
  603    HZ2  LYS  75           HZ2      LYS  75   4.372  -3.275   3.328
  604    HZ3  LYS  75           HZ3      LYS  75   3.876  -3.450   1.724
  605    H    LEU  76           HN       LEU  76  -2.272  -0.644   6.877
  606    HA   LEU  76           HA       LEU  76  -2.003  -0.559   9.707
  607    HB2  LEU  76           HB2      LEU  76  -4.383  -0.009   7.892
  608    HB3  LEU  76           HB1      LEU  76  -4.402   0.270   9.628
  609    HG   LEU  76           HG       LEU  76  -2.554   1.680   7.654
  610   HD11  LEU  76          HD11      LEU  76  -4.859   2.403   7.362
  611   HD12  LEU  76          HD12      LEU  76  -3.885   3.688   8.078
  612   HD13  LEU  76          HD13      LEU  76  -4.996   2.754   9.090
  613   HD21  LEU  76          HD21      LEU  76  -2.890   2.144  10.639
  614   HD22  LEU  76          HD22      LEU  76  -1.916   3.131   9.545
  615   HD23  LEU  76          HD23      LEU  76  -1.476   1.450   9.839
  616    H    ALA  77           HN       ALA  77  -3.608  -2.758   7.468
  617    HA   ALA  77           HA       ALA  77  -4.947  -4.400   9.371
  618    HB1  ALA  77           HB1      ALA  77  -5.019  -6.097   7.573
  619    HB2  ALA  77           HB2      ALA  77  -3.855  -5.161   6.630
  620    HB3  ALA  77           HB3      ALA  77  -5.458  -4.502   6.955
  621    H    ARG  78           HN       ARG  78  -1.646  -4.385   8.046
  622    HA   ARG  78           HA       ARG  78  -0.717  -6.692   9.481
  623    HB2  ARG  78           HB2      ARG  78   1.000  -4.410   8.412
  624    HB3  ARG  78           HB1      ARG  78   1.531  -6.044   8.801
  625    HG2  ARG  78           HG2      ARG  78  -0.215  -5.169   6.488
  626    HG3  ARG  78           HG1      ARG  78   1.412  -5.839   6.414
  627    HD2  ARG  78           HD2      ARG  78  -1.046  -7.356   7.367
  628    HD3  ARG  78           HD1      ARG  78  -0.359  -7.458   5.747
  629    HE   ARG  78           HE       ARG  78   1.735  -8.080   7.347
  630   HH11  ARG  78          HH11      ARG  78  -1.495  -9.430   7.037
  631   HH12  ARG  78          HH12      ARG  78  -1.007 -11.009   7.555
  632   HH21  ARG  78          HH21      ARG  78   2.362 -10.134   8.002
  633   HH22  ARG  78          HH22      ARG  78   1.190 -11.413   8.102
  634    H    LYS  79           HN       LYS  79  -1.263  -3.374  10.394
  635    HA   LYS  79           HA       LYS  79   0.306  -3.461  12.810
  636    HB2  LYS  79           HB2      LYS  79  -1.908  -1.551  11.956
  637    HB3  LYS  79           HB1      LYS  79  -0.891  -1.342  13.379
  638    HG2  LYS  79           HG2      LYS  79  -0.020  -1.268  10.477
  639    HG3  LYS  79           HG1      LYS  79  -0.063   0.080  11.616
  640    HD2  LYS  79           HD2      LYS  79   1.733  -0.920  12.940
  641    HD3  LYS  79           HD1      LYS  79   1.719  -2.370  11.935
  642    HE2  LYS  79           HE2      LYS  79   2.403  -0.975   9.983
  643    HE3  LYS  79           HE1      LYS  79   2.525   0.417  11.063
  644    HZ1  LYS  79           HZ1      LYS  79   4.061  -2.099  11.362
  645    HZ2  LYS  79           HZ2      LYS  79   4.222  -0.697  12.295
  646    HZ3  LYS  79           HZ3      LYS  79   4.647  -0.676  10.662
  647    H    LEU  80           HN       LEU  80  -3.036  -4.329  11.982
  648    HA   LEU  80           HA       LEU  80  -3.836  -4.827  14.694
  649    HB2  LEU  80           HB2      LEU  80  -4.934  -5.730  12.021
  650    HB3  LEU  80           HB1      LEU  80  -5.522  -6.481  13.488
  651    HG   LEU  80           HG       LEU  80  -7.099  -4.780  12.882
  652   HD11  LEU  80          HD11      LEU  80  -5.456  -3.702  15.193
  653   HD12  LEU  80          HD12      LEU  80  -6.672  -4.980  15.288
  654   HD13  LEU  80          HD13      LEU  80  -7.154  -3.342  14.849
  655   HD21  LEU  80          HD21      LEU  80  -5.730  -3.409  11.405
  656   HD22  LEU  80          HD22      LEU  80  -4.826  -2.774  12.783
  657   HD23  LEU  80          HD23      LEU  80  -6.546  -2.405  12.605
  658    H    GLU  81           HN       GLU  81  -2.193  -6.740  12.210
  659    HA   GLU  81           HA       GLU  81  -1.748  -9.066  13.793
  660    HB2  GLU  81           HB2      GLU  81   0.148  -7.960  11.664
  661    HB3  GLU  81           HB1      GLU  81  -0.006  -9.632  12.197
  662    HG2  GLU  81           HG2      GLU  81  -2.029  -8.043  10.582
  663    HG3  GLU  81           HG1      GLU  81  -0.982  -9.325   9.980
  664    H    HIS  82           HN       HIS  82  -0.660  -9.092  15.691
  665    HA   HIS  82           HA       HIS  82   0.041  -6.624  16.849
  666    HB2  HIS  82           HB2      HIS  82   0.328  -9.442  17.952
  667    HB3  HIS  82           HB1      HIS  82   0.562  -7.979  18.904
  668    HD1  HIS  82           HD1      HIS  82  -1.973 -10.369  18.105
  669    HD2  HIS  82           HD2      HIS  82  -1.929  -6.271  18.781
  670    HE1  HIS  82           HE1      HIS  82  -4.334  -9.755  18.679
  671    HE2  HIS  82           HE2      HIS  82  -4.314  -7.253  18.905
  672    H    HIS  83           HN       HIS  83   1.727  -5.862  15.531
  673    HA   HIS  83           HA       HIS  83   4.378  -6.363  16.672
  674    HB2  HIS  83           HB2      HIS  83   3.812  -6.257  13.660
  675    HB3  HIS  83           HB1      HIS  83   5.415  -6.025  14.343
  676    HD1  HIS  83           HD1      HIS  83   6.760  -8.093  14.826
  677    HD2  HIS  83           HD2      HIS  83   2.785  -8.970  13.991
  678    HE1  HIS  83           HE1      HIS  83   6.656 -10.589  14.626
  679    HE2  HIS  83           HE2      HIS  83   4.227 -11.114  14.220
  680    H    HIS  84           HN       HIS  84   3.843  -4.477  17.880
  681    HA   HIS  84           HA       HIS  84   3.334  -1.965  16.405
  682    HB2  HIS  84           HB2      HIS  84   1.674  -2.649  18.175
  683    HB3  HIS  84           HB1      HIS  84   2.945  -2.532  19.383
  684    HD1  HIS  84           HD1      HIS  84   0.502  -0.533  17.493
  685    HD2  HIS  84           HD2      HIS  84   3.805   0.189  19.899
  686    HE1  HIS  84           HE1      HIS  84   0.389   1.904  18.064
  687    HE2  HIS  84           HE2      HIS  84   2.284   2.269  19.685
  688    H    HIS  85           HN       HIS  85   5.009  -0.657  16.144
  689    HA   HIS  85           HA       HIS  85   6.891  -0.124  18.323
  690    HB2  HIS  85           HB2      HIS  85   8.047  -1.822  16.912
  691    HB3  HIS  85           HB1      HIS  85   7.795  -0.828  15.480
  692    HD1  HIS  85           HD1      HIS  85   9.622   0.816  14.966
  693    HD2  HIS  85           HD2      HIS  85   9.804  -0.551  18.881
  694    HE1  HIS  85           HE1      HIS  85  11.723   1.801  15.922
  695    HE2  HIS  85           HE2      HIS  85  11.880   0.836  18.244
  696    H    HIS  86           HN       HIS  86   7.298   2.026  18.448
  697    HA   HIS  86           HA       HIS  86   5.723   3.796  16.788
  698    HB2  HIS  86           HB2      HIS  86   6.140   5.477  18.405
  699    HB3  HIS  86           HB1      HIS  86   6.048   3.999  19.344
  700    HD1  HIS  86           HD1      HIS  86   8.141   6.918  18.825
  701    HD2  HIS  86           HD2      HIS  86   8.765   2.987  20.024
  702    HE1  HIS  86           HE1      HIS  86  10.388   6.901  19.954
  703    HE2  HIS  86           HE2      HIS  86  10.681   4.537  20.772
  704    H    HIS  87           HN       HIS  87   6.729   5.968  16.173
  705    HA   HIS  87           HA       HIS  87   9.569   5.931  15.415
  706    HB2  HIS  87           HB2      HIS  87   7.265   6.589  13.518
  707    HB3  HIS  87           HB1      HIS  87   8.921   7.092  13.214
  708    HD1  HIS  87           HD1      HIS  87   6.805   4.730  11.958
  709    HD2  HIS  87           HD2      HIS  87  10.616   4.424  13.569
  710    HE1  HIS  87           HE1      HIS  87   7.711   2.552  11.125
  711    HE2  HIS  87           HE2      HIS  87  10.074   2.474  11.970
  712   H282  PNS  88          H282      PNS  88   7.278  12.602 -10.150
  713   H281  PNS  88          H281      PNS  88   7.857  11.606 -11.496
  714   H303  PNS  88          H303      PNS  88   4.590  10.063 -10.187
  715   H302  PNS  88          H302      PNS  88   4.984  11.783 -10.332
  716   H301  PNS  88          H301      PNS  88   5.326  10.685 -11.673
  717   H313  PNS  88          H313      PNS  88   6.200  11.422  -8.102
  718   H312  PNS  88          H312      PNS  88   5.893   9.686  -8.158
  719   H311  PNS  88          H311      PNS  88   7.549  10.281  -8.014
  720    H32  PNS  88           H32      PNS  88   7.478   9.171 -11.593
  721    H33  PNS  88           H33      PNS  88   8.336   8.332  -9.041
  722    H36  PNS  88           H36      PNS  88   5.167   8.505 -11.821
  723   H372  PNS  88          H372      PNS  88   3.565   6.921 -11.912
  724   H371  PNS  88          H371      PNS  88   4.740   5.807 -11.199
  725   H382  PNS  88          H382      PNS  88   2.778   5.984  -9.778
  726   H381  PNS  88          H381      PNS  88   4.200   6.641  -8.982
  727    H41  PNS  88           H41      PNS  88   2.240   7.379  -7.675
  728   H422  PNS  88          H422      PNS  88   2.057  10.045  -7.397
  729   H421  PNS  88          H421      PNS  88   0.807   9.730  -8.610
  730   H431  PNS  88          H431      PNS  88  -0.305   8.172  -7.085
  731   H432  PNS  88          H432      PNS  88  -0.138   9.754  -6.325
  732    H44  PNS  88           H44      PNS  88   2.116   8.987  -4.819
  Start of MODEL    2
    1    H1   MET   1           HT1      MET   1 -13.464   2.257   6.800
    2    H2   MET   1           HT2      MET   1 -12.956   2.443   8.398
    3    H3   MET   1           HT3      MET   1 -12.982   0.907   7.696
    4    HA   MET   1           HA       MET   1 -10.769   1.736   7.852
    5    HB2  MET   1           HB2      MET   1 -10.122   1.450   5.444
    6    HB3  MET   1           HB1      MET   1 -11.228   0.217   6.019
    7    HG2  MET   1           HG2      MET   1 -13.088   1.334   4.878
    8    HG3  MET   1           HG1      MET   1 -11.989   2.598   4.319
    9    HE1  MET   1           HE1      MET   1 -13.945   0.665   2.451
   10    HE2  MET   1           HE2      MET   1 -12.865   0.454   1.071
   11    HE3  MET   1           HE3      MET   1 -13.015   2.033   1.841
   12    HA   PRO   2           HA       PRO   2 -10.610   6.235   7.241
   13    HB2  PRO   2           HB2      PRO   2  -8.559   6.751   8.858
   14    HB3  PRO   2           HB1      PRO   2 -10.028   6.034   9.541
   15    HG2  PRO   2           HG2      PRO   2  -7.405   4.714   8.872
   16    HG3  PRO   2           HG1      PRO   2  -8.470   4.439  10.267
   17    HD2  PRO   2           HD2      PRO   2  -8.412   2.905   7.863
   18    HD3  PRO   2           HD1      PRO   2  -9.660   2.828   9.129
   19    H    THR   3           HN       THR   3  -9.720   4.764   5.024
   20    HA   THR   3           HA       THR   3  -6.926   4.752   4.598
   21    HB   THR   3           HB       THR   3  -7.483   4.129   2.263
   22    HG1  THR   3           HG1      THR   3  -9.487   4.315   1.486
   23   HG21  THR   3          HG21      THR   3  -9.206   2.693   4.317
   24   HG22  THR   3          HG22      THR   3  -7.497   2.372   4.006
   25   HG23  THR   3          HG23      THR   3  -8.697   2.042   2.755
   26    H    LEU   4           HN       LEU   4  -9.184   6.568   2.424
   27    HA   LEU   4           HA       LEU   4  -7.260   8.493   1.610
   28    HB2  LEU   4           HB2      LEU   4 -10.304   8.657   1.552
   29    HB3  LEU   4           HB1      LEU   4  -9.239   9.793   0.738
   30    HG   LEU   4           HG       LEU   4  -9.558   6.840   0.064
   31   HD11  LEU   4          HD11      LEU   4 -10.568   7.618  -2.027
   32   HD12  LEU   4          HD12      LEU   4 -10.439   9.295  -1.489
   33   HD13  LEU   4          HD13      LEU   4 -11.487   8.165  -0.628
   34   HD21  LEU   4          HD21      LEU   4  -7.251   7.522  -0.342
   35   HD22  LEU   4          HD22      LEU   4  -7.792   8.915  -1.285
   36   HD23  LEU   4          HD23      LEU   4  -8.093   7.275  -1.869
   37    H    ASP   5           HN       ASP   5  -9.637   8.348   4.151
   38    HA   ASP   5           HA       ASP   5  -9.952  10.963   4.977
   39    HB2  ASP   5           HB2      ASP   5  -9.988   8.473   6.739
   40    HB3  ASP   5           HB1      ASP   5 -10.727  10.023   7.138
   41    H    ALA   6           HN       ALA   6  -7.585   8.605   6.201
   42    HA   ALA   6           HA       ALA   6  -6.360  10.476   8.054
   43    HB1  ALA   6           HB1      ALA   6  -4.860   8.624   8.639
   44    HB2  ALA   6           HB2      ALA   6  -5.475   7.671   7.282
   45    HB3  ALA   6           HB3      ALA   6  -6.539   8.082   8.627
   46    H    LEU   7           HN       LEU   7  -5.810   9.347   4.796
   47    HA   LEU   7           HA       LEU   7  -3.093  10.225   4.543
   48    HB2  LEU   7           HB2      LEU   7  -5.232   9.639   2.455
   49    HB3  LEU   7           HB1      LEU   7  -3.571  10.036   2.054
   50    HG   LEU   7           HG       LEU   7  -4.426   7.594   3.647
   51   HD11  LEU   7          HD11      LEU   7  -3.844   6.290   1.647
   52   HD12  LEU   7          HD12      LEU   7  -3.538   7.782   0.752
   53   HD13  LEU   7          HD13      LEU   7  -5.164   7.414   1.333
   54   HD21  LEU   7          HD21      LEU   7  -2.098   6.850   3.401
   55   HD22  LEU   7          HD22      LEU   7  -2.191   8.369   4.283
   56   HD23  LEU   7          HD23      LEU   7  -1.686   8.365   2.593
   57    H    THR   8           HN       THR   8  -6.258  11.808   4.114
   58    HA   THR   8           HA       THR   8  -5.556  13.867   2.396
   59    HB   THR   8           HB       THR   8  -7.713  14.028   4.552
   60    HG1  THR   8           HG1      THR   8  -8.423  12.408   3.347
   61   HG21  THR   8          HG21      THR   8  -7.218  16.232   3.514
   62   HG22  THR   8          HG22      THR   8  -8.803  15.631   3.029
   63   HG23  THR   8          HG23      THR   8  -7.441  15.522   1.913
   64    HA   PRO   9           HA       PRO   9  -4.355  16.791   6.216
   65    HB2  PRO   9           HB2      PRO   9  -3.421  15.394   8.461
   66    HB3  PRO   9           HB1      PRO   9  -5.031  16.113   8.315
   67    HG2  PRO   9           HG2      PRO   9  -4.170  13.270   7.839
   68    HG3  PRO   9           HG1      PRO   9  -5.613  13.875   8.679
   69    HD2  PRO   9           HD2      PRO   9  -5.786  12.954   6.167
   70    HD3  PRO   9           HD1      PRO   9  -6.733  14.376   6.666
   71    H    ILE  10           HN       ILE  10  -2.793  13.659   5.567
   72    HA   ILE  10           HA       ILE  10  -0.104  14.461   6.157
   73    HB   ILE  10           HB       ILE  10  -1.000  12.185   4.330
   74   HG12  ILE  10          HG12      ILE  10  -1.937  11.908   6.607
   75   HG13  ILE  10          HG11      ILE  10  -0.717  10.683   6.276
   76   HG21  ILE  10          HG21      ILE  10   1.250  11.213   4.757
   77   HG22  ILE  10          HG22      ILE  10   1.701  12.666   5.647
   78   HG23  ILE  10          HG23      ILE  10   1.342  12.764   3.922
   79   HD11  ILE  10          HD11      ILE  10  -0.333  13.157   7.958
   80   HD12  ILE  10          HD12      ILE  10   0.900  11.937   7.627
   81   HD13  ILE  10          HD13      ILE  10  -0.547  11.506   8.532
   82    H    PHE  11           HN       PHE  11  -1.991  14.207   3.131
   83    HA   PHE  11           HA       PHE  11   0.114  15.049   1.372
   84    HB2  PHE  11           HB2      PHE  11  -2.908  14.838   1.008
   85    HB3  PHE  11           HB1      PHE  11  -1.833  15.364  -0.282
   86    HD1  PHE  11           HD2      PHE  11  -1.772  12.513   2.196
   87    HD2  PHE  11           HD1      PHE  11  -1.561  13.692  -1.901
   88    HE1  PHE  11           HE2      PHE  11  -1.459  10.172   1.538
   89    HE2  PHE  11           HE1      PHE  11  -1.251  11.342  -2.542
   90    HZ   PHE  11           HZ       PHE  11  -1.201   9.578  -0.834
   91    H    ARG  12           HN       ARG  12  -2.663  16.681   2.904
   92    HA   ARG  12           HA       ARG  12  -2.362  19.282   1.965
   93    HB2  ARG  12           HB2      ARG  12  -3.323  18.232   4.652
   94    HB3  ARG  12           HB1      ARG  12  -3.360  19.951   4.264
   95    HG2  ARG  12           HG2      ARG  12  -4.889  19.517   2.388
   96    HG3  ARG  12           HG1      ARG  12  -4.820  17.782   2.714
   97    HD2  ARG  12           HD2      ARG  12  -5.945  18.066   4.835
   98    HD3  ARG  12           HD1      ARG  12  -5.840  19.828   4.718
   99    HE   ARG  12           HE       ARG  12  -7.214  19.168   2.490
  100   HH11  ARG  12          HH11      ARG  12  -7.757  18.252   5.835
  101   HH12  ARG  12          HH12      ARG  12  -9.480  18.224   5.664
  102   HH21  ARG  12          HH21      ARG  12  -9.450  19.073   2.270
  103   HH22  ARG  12          HH22      ARG  12 -10.444  18.689   3.642
  104    H    GLN  13           HN       GLN  13  -0.520  17.603   4.468
  105    HA   GLN  13           HA       GLN  13   0.878  19.944   5.395
  106    HB2  GLN  13           HB2      GLN  13   0.399  18.039   6.902
  107    HB3  GLN  13           HB1      GLN  13   1.398  16.988   5.908
  108    HG2  GLN  13           HG2      GLN  13   2.567  17.675   7.945
  109    HG3  GLN  13           HG1      GLN  13   3.397  18.271   6.510
  110   HE21  GLN  13          HE21      GLN  13   3.426  20.508   6.098
  111   HE22  GLN  13          HE22      GLN  13   2.973  21.677   7.286
  112    H    VAL  14           HN       VAL  14   1.870  17.018   3.602
  113    HA   VAL  14           HA       VAL  14   4.561  17.596   3.187
  114    HB   VAL  14           HB       VAL  14   2.618  15.853   1.608
  115   HG11  VAL  14          HG11      VAL  14   4.591  14.742   0.560
  116   HG12  VAL  14          HG12      VAL  14   5.630  15.996   1.234
  117   HG13  VAL  14          HG13      VAL  14   4.403  16.419   0.041
  118   HG21  VAL  14          HG21      VAL  14   4.780  15.132   3.623
  119   HG22  VAL  14          HG22      VAL  14   3.728  13.986   2.787
  120   HG23  VAL  14          HG23      VAL  14   3.040  15.145   3.926
  121    H    PHE  15           HN       PHE  15   1.846  18.060   0.910
  122    HA   PHE  15           HA       PHE  15   3.548  19.399  -1.043
  123    HB2  PHE  15           HB2      PHE  15   0.551  18.798  -1.123
  124    HB3  PHE  15           HB1      PHE  15   1.519  19.375  -2.479
  125    HD1  PHE  15           HD1      PHE  15   3.371  17.898  -3.405
  126    HD2  PHE  15           HD2      PHE  15   0.508  16.451  -0.576
  127    HE1  PHE  15           HE1      PHE  15   3.983  15.580  -3.946
  128    HE2  PHE  15           HE2      PHE  15   1.135  14.143  -1.126
  129    HZ   PHE  15           HZ       PHE  15   2.873  13.707  -2.810
  130    H    ASP  16           HN       ASP  16   1.545  20.286   1.586
  131    HA   ASP  16           HA       ASP  16   1.090  22.229   2.604
  132    HB2  ASP  16           HB2      ASP  16   3.424  22.874   2.209
  133    HB3  ASP  16           HB1      ASP  16   3.031  23.439   0.589
  134    H    ASP  17           HN       ASP  17  -1.054  21.918   1.914
  135    HA   ASP  17           HA       ASP  17  -2.325  24.179   0.860
  136    HB2  ASP  17           HB2      ASP  17  -1.635  23.376  -1.365
  137    HB3  ASP  17           HB1      ASP  17  -2.286  21.776  -1.033
  138    H    ASP  18           HN       ASP  18  -4.048  24.197   2.204
  139    HA   ASP  18           HA       ASP  18  -5.032  21.777   3.449
  140    HB2  ASP  18           HB2      ASP  18  -6.253  23.165   4.915
  141    HB3  ASP  18           HB1      ASP  18  -4.817  24.112   4.556
  142    H    SER  19           HN       SER  19  -5.714  23.215   0.514
  143    HA   SER  19           HA       SER  19  -8.592  22.768   0.430
  144    HB2  SER  19           HB2      SER  19  -6.691  23.581  -1.812
  145    HB3  SER  19           HB1      SER  19  -8.456  23.648  -1.863
  146    HG   SER  19           HG       SER  19  -7.525  24.961   0.299
  147    H    ILE  20           HN       ILE  20  -5.778  20.886  -0.082
  148    HA   ILE  20           HA       ILE  20  -6.483  19.071  -2.076
  149    HB   ILE  20           HB       ILE  20  -4.805  18.703   0.438
  150   HG12  ILE  20          HG12      ILE  20  -4.018  18.973  -2.500
  151   HG13  ILE  20          HG11      ILE  20  -3.886  20.239  -1.285
  152   HG21  ILE  20          HG21      ILE  20  -5.095  16.658  -1.784
  153   HG22  ILE  20          HG22      ILE  20  -5.652  16.474  -0.122
  154   HG23  ILE  20          HG23      ILE  20  -3.927  16.579  -0.463
  155   HD11  ILE  20          HD11      ILE  20  -2.193  18.875  -0.093
  156   HD12  ILE  20          HD12      ILE  20  -1.721  19.274  -1.746
  157   HD13  ILE  20          HD13      ILE  20  -2.313  17.656  -1.369
  158    H    VAL  21           HN       VAL  21  -8.185  17.805  -2.271
  159    HA   VAL  21           HA       VAL  21  -9.356  16.397   0.045
  160    HB   VAL  21           HB       VAL  21 -10.962  17.607  -2.267
  161   HG11  VAL  21          HG11      VAL  21 -12.980  16.752  -1.100
  162   HG12  VAL  21          HG12      VAL  21 -11.959  15.972   0.107
  163   HG13  VAL  21          HG13      VAL  21 -11.907  15.432  -1.570
  164   HG21  VAL  21          HG21      VAL  21 -10.294  19.331  -0.625
  165   HG22  VAL  21          HG22      VAL  21 -10.995  18.375   0.682
  166   HG23  VAL  21          HG23      VAL  21 -12.035  19.050  -0.574
  167    H    LEU  22           HN       LEU  22  -8.463  14.488  -0.339
  168    HA   LEU  22           HA       LEU  22  -7.613  13.530  -2.856
  169    HB2  LEU  22           HB2      LEU  22  -7.921  12.062  -0.217
  170    HB3  LEU  22           HB1      LEU  22  -7.078  11.417  -1.624
  171    HG   LEU  22           HG       LEU  22  -6.256  13.910  -0.071
  172   HD11  LEU  22          HD11      LEU  22  -4.976  11.167  -0.101
  173   HD12  LEU  22          HD12      LEU  22  -5.894  11.874   1.225
  174   HD13  LEU  22          HD13      LEU  22  -4.370  12.598   0.731
  175   HD21  LEU  22          HD21      LEU  22  -4.210  13.877  -1.432
  176   HD22  LEU  22          HD22      LEU  22  -5.638  14.096  -2.435
  177   HD23  LEU  22          HD23      LEU  22  -4.839  12.523  -2.377
  178    H    THR  23           HN       THR  23  -8.367  12.001  -4.193
  179    HA   THR  23           HA       THR  23 -10.899  10.588  -3.636
  180    HB   THR  23           HB       THR  23 -11.539  10.743  -6.016
  181    HG1  THR  23           HG1      THR  23  -9.425  12.572  -6.462
  182   HG21  THR  23          HG21      THR  23 -10.949  13.518  -4.915
  183   HG22  THR  23          HG22      THR  23 -12.395  12.560  -4.579
  184   HG23  THR  23          HG23      THR  23 -12.086  13.147  -6.214
  185    H    ARG  24           HN       ARG  24 -10.998   8.688  -5.394
  186    HA   ARG  24           HA       ARG  24  -8.914   6.879  -5.081
  187    HB2  ARG  24           HB2      ARG  24 -10.729   6.980  -7.526
  188    HB3  ARG  24           HB1      ARG  24  -9.923   5.566  -6.859
  189    HG2  ARG  24           HG2      ARG  24 -11.395   5.576  -4.920
  190    HG3  ARG  24           HG1      ARG  24 -12.127   7.097  -5.443
  191    HD2  ARG  24           HD2      ARG  24 -12.318   4.402  -6.835
  192    HD3  ARG  24           HD1      ARG  24 -13.621   5.284  -6.033
  193    HE   ARG  24           HE       ARG  24 -12.799   7.034  -7.927
  194   HH11  ARG  24          HH11      ARG  24 -13.856   3.692  -8.119
  195   HH12  ARG  24          HH12      ARG  24 -14.409   3.843  -9.755
  196   HH21  ARG  24          HH21      ARG  24 -13.494   7.221 -10.063
  197   HH22  ARG  24          HH22      ARG  24 -14.205   5.849 -10.855
  198    H    GLU  25           HN       GLU  25  -9.589   9.011  -7.867
  199    HA   GLU  25           HA       GLU  25  -7.140   8.113  -9.221
  200    HB2  GLU  25           HB2      GLU  25  -8.231   9.100 -11.256
  201    HB3  GLU  25           HB1      GLU  25  -9.151   7.808 -10.493
  202    HG2  GLU  25           HG2      GLU  25 -10.394   9.813  -9.289
  203    HG3  GLU  25           HG1      GLU  25  -9.769  10.751 -10.644
  204    H    THR  26           HN       THR  26  -7.715  10.506  -7.071
  205    HA   THR  26           HA       THR  26  -6.096  12.592  -8.111
  206    HB   THR  26           HB       THR  26  -6.268  11.534  -5.241
  207    HG1  THR  26           HG1      THR  26  -7.555  13.724  -6.543
  208   HG21  THR  26          HG21      THR  26  -5.105  14.172  -6.232
  209   HG22  THR  26          HG22      THR  26  -4.201  12.851  -5.483
  210   HG23  THR  26          HG23      THR  26  -5.393  13.754  -4.545
  211    H    SER  27           HN       SER  27  -3.792  12.768  -8.154
  212    HA   SER  27           HA       SER  27  -2.012  10.645  -7.450
  213    HB2  SER  27           HB2      SER  27  -1.483   9.843  -9.722
  214    HB3  SER  27           HB1      SER  27  -3.197   9.575  -9.386
  215    HG   SER  27           HG       SER  27  -3.099  10.479 -11.387
  216    H    ALA  28           HN       ALA  28   0.110  10.984  -8.939
  217    HA   ALA  28           HA       ALA  28   1.108  13.572  -8.599
  218    HB1  ALA  28           HB1      ALA  28   2.455  11.539  -8.628
  219    HB2  ALA  28           HB2      ALA  28   3.048  12.714  -9.803
  220    HB3  ALA  28           HB3      ALA  28   2.107  11.320 -10.344
  221    H    ASN  29           HN       ASN  29  -0.840  12.300 -11.165
  222    HA   ASN  29           HA       ASN  29  -0.063  14.329 -13.124
  223    HB2  ASN  29           HB2      ASN  29  -0.651  12.115 -13.981
  224    HB3  ASN  29           HB1      ASN  29  -2.195  12.143 -13.137
  225   HD21  ASN  29          HD21      ASN  29  -0.348  13.574 -15.776
  226   HD22  ASN  29          HD22      ASN  29  -1.716  14.094 -16.699
  227    H    ASP  30           HN       ASP  30  -2.679  13.592 -10.850
  228    HA   ASP  30           HA       ASP  30  -4.389  15.789 -11.595
  229    HB2  ASP  30           HB2      ASP  30  -5.373  13.766 -10.654
  230    HB3  ASP  30           HB1      ASP  30  -4.382  13.895  -9.210
  231    H    ILE  31           HN       ILE  31  -1.565  15.502  -9.622
  232    HA   ILE  31           HA       ILE  31  -2.043  18.187  -8.453
  233    HB   ILE  31           HB       ILE  31  -0.357  15.929  -7.251
  234   HG12  ILE  31          HG12      ILE  31  -3.037  17.101  -6.363
  235   HG13  ILE  31          HG11      ILE  31  -2.736  15.457  -6.907
  236   HG21  ILE  31          HG21      ILE  31  -0.872  18.718  -6.139
  237   HG22  ILE  31          HG22      ILE  31   0.652  18.149  -6.824
  238   HG23  ILE  31          HG23      ILE  31   0.038  17.433  -5.334
  239   HD11  ILE  31          HD11      ILE  31  -3.065  15.513  -4.523
  240   HD12  ILE  31          HD12      ILE  31  -1.780  16.704  -4.328
  241   HD13  ILE  31          HD13      ILE  31  -1.394  15.071  -4.869
  242    H    ASP  32           HN       ASP  32  -0.989  19.499  -9.827
  243    HA   ASP  32           HA       ASP  32   1.246  18.893 -11.429
  244    HB2  ASP  32           HB2      ASP  32  -0.312  20.759 -11.920
  245    HB3  ASP  32           HB1      ASP  32   0.229  21.608 -10.479
  246    H    ALA  33           HN       ALA  33   0.978  20.385  -8.226
  247    HA   ALA  33           HA       ALA  33   3.726  21.046  -7.844
  248    HB1  ALA  33           HB1      ALA  33   1.912  22.079  -6.539
  249    HB2  ALA  33           HB2      ALA  33   3.122  21.353  -5.483
  250    HB3  ALA  33           HB3      ALA  33   1.580  20.532  -5.754
  251    H    TRP  34           HN       TRP  34   2.253  17.992  -7.942
  252    HA   TRP  34           HA       TRP  34   3.929  16.603  -6.064
  253    HB2  TRP  34           HB2      TRP  34   1.640  15.823  -7.044
  254    HB3  TRP  34           HB1      TRP  34   2.552  15.309  -8.451
  255    HD1  TRP  34           HD1      TRP  34   4.928  13.691  -7.381
  256    HE1  TRP  34           HE1      TRP  34   4.596  11.597  -5.936
  257    HE3  TRP  34           HE3      TRP  34   0.201  14.584  -5.681
  258    HZ2  TRP  34           HZ2      TRP  34   2.648  10.487  -4.259
  259    HZ3  TRP  34           HZ3      TRP  34  -0.831  12.957  -4.155
  260    HH2  TRP  34           HH2      TRP  34   0.373  10.944  -3.464
  261    H    ASP  35           HN       ASP  35   5.992  16.515  -6.368
  262    HA   ASP  35           HA       ASP  35   7.258  16.120  -9.010
  263    HB2  ASP  35           HB2      ASP  35   7.758  18.347  -7.981
  264    HB3  ASP  35           HB1      ASP  35   8.323  17.552  -6.520
  265    H    SER  36           HN       SER  36   9.387  14.773  -8.794
  266    HA   SER  36           HA       SER  36   9.239  12.388  -7.546
  267    HB2  SER  36           HB2      SER  36  11.705  14.064  -8.160
  268    HB3  SER  36           HB1      SER  36  11.785  12.379  -7.688
  269    H    LEU  37           HN       LEU  37  10.919  15.235  -6.270
  270    HA   LEU  37           HA       LEU  37  11.733  14.056  -3.821
  271    HB2  LEU  37           HB2      LEU  37  11.605  16.938  -4.750
  272    HB3  LEU  37           HB1      LEU  37  12.182  16.505  -3.153
  273    HG   LEU  37           HG       LEU  37  14.088  16.895  -4.564
  274   HD11  LEU  37          HD11      LEU  37  15.309  14.796  -4.377
  275   HD12  LEU  37          HD12      LEU  37  13.798  13.919  -4.119
  276   HD13  LEU  37          HD13      LEU  37  14.338  15.119  -2.942
  277   HD21  LEU  37          HD21      LEU  37  14.566  15.667  -6.632
  278   HD22  LEU  37          HD22      LEU  37  13.075  16.596  -6.762
  279   HD23  LEU  37          HD23      LEU  37  13.001  14.849  -6.524
  280    H    SER  38           HN       SER  38   8.873  15.916  -4.697
  281    HA   SER  38           HA       SER  38   7.813  16.326  -2.079
  282    HB2  SER  38           HB2      SER  38   6.278  16.132  -4.708
  283    HB3  SER  38           HB1      SER  38   5.723  16.904  -3.223
  284    HG   SER  38           HG       SER  38   6.486  18.580  -4.322
  285    H    HIS  39           HN       HIS  39   7.519  13.763  -4.481
  286    HA   HIS  39           HA       HIS  39   5.630  12.093  -3.193
  287    HB2  HIS  39           HB2      HIS  39   6.389  11.912  -5.610
  288    HB3  HIS  39           HB1      HIS  39   7.898  11.213  -5.034
  289    HD2  HIS  39           HD2      HIS  39   7.763   8.544  -5.432
  290    HE1  HIS  39           HE1      HIS  39   3.621   8.079  -4.754
  291    HE2  HIS  39           HE2      HIS  39   5.741   6.927  -5.491
  292    H    MET  40           HN       MET  40   9.179  12.234  -3.065
  293    HA   MET  40           HA       MET  40   9.610  10.033  -1.356
  294    HB2  MET  40           HB2      MET  40  11.297  12.561  -1.661
  295    HB3  MET  40           HB1      MET  40  11.821  11.079  -0.861
  296    HG2  MET  40           HG2      MET  40  11.221  11.463  -3.800
  297    HG3  MET  40           HG1      MET  40  12.779  11.112  -3.052
  298    HE1  MET  40           HE1      MET  40  13.370   8.710  -1.922
  299    HE2  MET  40           HE2      MET  40  12.237   7.363  -1.873
  300    HE3  MET  40           HE3      MET  40  11.934   8.802  -0.904
  301    H    ASN  41           HN       ASN  41   9.046  13.489  -0.674
  302    HA   ASN  41           HA       ASN  41   9.206  13.423   2.148
  303    HB2  ASN  41           HB2      ASN  41   7.538  15.252   0.354
  304    HB3  ASN  41           HB1      ASN  41   7.773  15.509   2.082
  305   HD21  ASN  41          HD21      ASN  41   8.455  17.242  -0.126
  306   HD22  ASN  41          HD22      ASN  41  10.158  17.522  -0.017
  307    H    LEU  42           HN       LEU  42   6.537  12.751  -0.088
  308    HA   LEU  42           HA       LEU  42   4.437  12.634   1.789
  309    HB2  LEU  42           HB2      LEU  42   4.234  12.884  -0.721
  310    HB3  LEU  42           HB1      LEU  42   4.622  11.186  -0.893
  311    HG   LEU  42           HG       LEU  42   2.141  11.902  -1.081
  312   HD11  LEU  42          HD11      LEU  42   2.768   9.650   0.841
  313   HD12  LEU  42          HD12      LEU  42   2.763   9.552  -0.921
  314   HD13  LEU  42          HD13      LEU  42   1.261   9.876  -0.057
  315   HD21  LEU  42          HD21      LEU  42   0.877  12.161   0.980
  316   HD22  LEU  42          HD22      LEU  42   2.112  13.408   0.857
  317   HD23  LEU  42          HD23      LEU  42   2.351  12.033   1.942
  318    H    ILE  43           HN       ILE  43   6.393  10.033   0.336
  319    HA   ILE  43           HA       ILE  43   5.144   7.869   1.661
  320    HB   ILE  43           HB       ILE  43   7.698   8.177   0.080
  321   HG12  ILE  43          HG12      ILE  43   6.705   6.381  -1.321
  322   HG13  ILE  43          HG11      ILE  43   5.397   6.180  -0.165
  323   HG21  ILE  43          HG21      ILE  43   8.521   6.784   1.909
  324   HG22  ILE  43          HG22      ILE  43   8.373   5.809   0.446
  325   HG23  ILE  43          HG23      ILE  43   7.159   5.676   1.722
  326   HD11  ILE  43          HD11      ILE  43   4.584   8.419  -0.717
  327   HD12  ILE  43          HD12      ILE  43   4.672   7.366  -2.128
  328   HD13  ILE  43          HD13      ILE  43   5.903   8.601  -1.877
  329    H    VAL  44           HN       VAL  44   8.140   9.709   2.483
  330    HA   VAL  44           HA       VAL  44   8.786   8.101   4.741
  331    HB   VAL  44           HB       VAL  44  10.393   9.793   5.381
  332   HG11  VAL  44          HG11      VAL  44  10.372   9.367   2.377
  333   HG12  VAL  44          HG12      VAL  44  11.026   8.260   3.587
  334   HG13  VAL  44          HG13      VAL  44  11.783   9.833   3.334
  335   HG21  VAL  44          HG21      VAL  44   9.198  11.603   3.256
  336   HG22  VAL  44          HG22      VAL  44  10.675  11.940   4.166
  337   HG23  VAL  44          HG23      VAL  44   9.124  11.853   5.001
  338    H    SER  45           HN       SER  45   6.697  10.904   4.368
  339    HA   SER  45           HA       SER  45   6.258  11.451   7.129
  340    HB2  SER  45           HB2      SER  45   4.495  11.968   4.701
  341    HB3  SER  45           HB1      SER  45   4.111  12.547   6.325
  342    HG   SER  45           HG       SER  45   6.551  13.118   5.000
  343    H    LEU  46           HN       LEU  46   4.673   9.208   4.845
  344    HA   LEU  46           HA       LEU  46   2.712   8.231   6.689
  345    HB2  LEU  46           HB2      LEU  46   3.881   6.920   4.205
  346    HB3  LEU  46           HB1      LEU  46   2.458   6.345   5.065
  347    HG   LEU  46           HG       LEU  46   2.687   9.012   3.601
  348   HD11  LEU  46          HD11      LEU  46   1.097   8.074   1.984
  349   HD12  LEU  46          HD12      LEU  46   1.140   6.519   2.819
  350   HD13  LEU  46          HD13      LEU  46   2.594   7.141   2.035
  351   HD21  LEU  46          HD21      LEU  46   0.277   9.259   4.041
  352   HD22  LEU  46          HD22      LEU  46   1.213   9.209   5.531
  353   HD23  LEU  46          HD23      LEU  46   0.299   7.786   5.022
  354    H    GLU  47           HN       GLU  47   6.016   7.316   5.892
  355    HA   GLU  47           HA       GLU  47   6.184   4.863   7.286
  356    HB2  GLU  47           HB2      GLU  47   8.381   6.854   6.576
  357    HB3  GLU  47           HB1      GLU  47   8.673   5.216   7.155
  358    HG2  GLU  47           HG2      GLU  47   7.160   5.843   4.598
  359    HG3  GLU  47           HG1      GLU  47   8.900   5.574   4.656
  360    H    VAL  48           HN       VAL  48   7.074   8.200   8.298
  361    HA   VAL  48           HA       VAL  48   7.903   7.369  10.913
  362    HB   VAL  48           HB       VAL  48   8.094   9.764  11.474
  363   HG11  VAL  48          HG11      VAL  48   9.966   8.655  10.358
  364   HG12  VAL  48          HG12      VAL  48   9.874  10.348   9.880
  365   HG13  VAL  48          HG13      VAL  48   9.309   9.093   8.775
  366   HG21  VAL  48          HG21      VAL  48   6.181  10.704  10.225
  367   HG22  VAL  48          HG22      VAL  48   7.001  10.367   8.699
  368   HG23  VAL  48          HG23      VAL  48   7.675  11.553   9.825
  369    H    HIS  49           HN       HIS  49   4.924   8.946   9.688
  370    HA   HIS  49           HA       HIS  49   3.712   9.399  12.195
  371    HB2  HIS  49           HB2      HIS  49   2.641   9.276   9.371
  372    HB3  HIS  49           HB1      HIS  49   1.498   9.330  10.703
  373    HD1  HIS  49           HD1      HIS  49   0.856  11.572  11.473
  374    HD2  HIS  49           HD2      HIS  49   4.479  11.625   9.440
  375    HE1  HIS  49           HE1      HIS  49   1.493  14.002  11.311
  376    HE2  HIS  49           HE2      HIS  49   3.790  13.978  10.257
  377    H    TYR  50           HN       TYR  50   3.082   6.770   9.842
  378    HA   TYR  50           HA       TYR  50   1.330   5.422  11.764
  379    HB2  TYR  50           HB2      TYR  50   1.985   4.736   8.859
  380    HB3  TYR  50           HB1      TYR  50   0.755   3.947   9.844
  381    HD1  TYR  50           HD2      TYR  50   1.643   7.047   8.033
  382    HD2  TYR  50           HD1      TYR  50  -1.396   5.065  10.291
  383    HE1  TYR  50           HE2      TYR  50   0.017   8.739   7.328
  384    HE2  TYR  50           HE1      TYR  50  -3.024   6.768   9.586
  385    HH   TYR  50           HH       TYR  50  -2.425   8.977   7.084
  386    H    LYS  51           HN       LYS  51   4.581   5.493  11.343
  387    HA   LYS  51           HA       LYS  51   6.337   4.114  11.277
  388    HB2  LYS  51           HB2      LYS  51   6.280   2.526  13.476
  389    HB3  LYS  51           HB1      LYS  51   6.625   4.239  13.510
  390    HG2  LYS  51           HG2      LYS  51   5.157   3.951  15.281
  391    HG3  LYS  51           HG1      LYS  51   4.118   4.568  13.998
  392    HD2  LYS  51           HD2      LYS  51   3.316   2.270  13.546
  393    HD3  LYS  51           HD1      LYS  51   4.374   1.645  14.814
  394    HE2  LYS  51           HE2      LYS  51   2.064   3.583  15.221
  395    HE3  LYS  51           HE1      LYS  51   2.059   1.865  15.621
  396    HZ1  LYS  51           HZ1      LYS  51   2.469   3.225  17.566
  397    HZ2  LYS  51           HZ2      LYS  51   3.832   3.915  16.843
  398    HZ3  LYS  51           HZ3      LYS  51   3.820   2.270  17.227
  399    H    ILE  52           HN       ILE  52   5.389   3.309   9.288
  400    HA   ILE  52           HA       ILE  52   4.933   0.382   9.286
  401    HB   ILE  52           HB       ILE  52   3.671   0.710   7.134
  402   HG12  ILE  52          HG12      ILE  52   3.878   3.691   7.805
  403   HG13  ILE  52          HG11      ILE  52   4.616   2.886   6.423
  404   HG21  ILE  52          HG21      ILE  52   2.487   2.165   9.523
  405   HG22  ILE  52          HG22      ILE  52   2.460   0.425   9.233
  406   HG23  ILE  52          HG23      ILE  52   1.584   1.507   8.155
  407   HD11  ILE  52          HD11      ILE  52   2.649   4.139   5.764
  408   HD12  ILE  52          HD12      ILE  52   1.655   3.241   6.908
  409   HD13  ILE  52          HD13      ILE  52   2.368   2.413   5.518
  410    H    LYS  53           HN       LYS  53   5.387  -0.323   6.739
  411    HA   LYS  53           HA       LYS  53   7.937   0.871   5.836
  412    HB2  LYS  53           HB2      LYS  53   8.568  -1.035   7.292
  413    HB3  LYS  53           HB1      LYS  53   7.523  -2.113   6.367
  414    HG2  LYS  53           HG2      LYS  53   8.938  -1.681   4.341
  415    HG3  LYS  53           HG1      LYS  53  10.020  -0.710   5.344
  416    HD2  LYS  53           HD2      LYS  53  10.509  -2.722   6.737
  417    HD3  LYS  53           HD1      LYS  53   9.432  -3.676   5.711
  418    HE2  LYS  53           HE2      LYS  53  10.901  -3.226   3.764
  419    HE3  LYS  53           HE1      LYS  53  11.984  -2.291   4.799
  420    HZ1  LYS  53           HZ1      LYS  53  12.406  -4.294   6.081
  421    HZ2  LYS  53           HZ2      LYS  53  12.799  -4.531   4.456
  422    HZ3  LYS  53           HZ3      LYS  53  11.371  -5.187   5.082
  423    H    PHE  54           HN       PHE  54   7.268   1.581   3.851
  424    HA   PHE  54           HA       PHE  54   5.928  -0.176   1.940
  425    HB2  PHE  54           HB2      PHE  54   7.243   2.554   1.571
  426    HB3  PHE  54           HB1      PHE  54   6.359   1.697   0.316
  427    HD1  PHE  54           HD2      PHE  54   3.876   0.850   1.339
  428    HD2  PHE  54           HD1      PHE  54   6.058   4.376   2.412
  429    HE1  PHE  54           HE2      PHE  54   1.788   1.951   2.025
  430    HE2  PHE  54           HE1      PHE  54   3.964   5.458   3.082
  431    HZ   PHE  54           HZ       PHE  54   1.826   4.250   2.895
  432    H    ALA  55           HN       ALA  55   6.934  -1.382   0.418
  433    HA   ALA  55           HA       ALA  55   9.867  -1.276   0.076
  434    HB1  ALA  55           HB1      ALA  55   9.577  -3.398  -1.171
  435    HB2  ALA  55           HB2      ALA  55   7.826  -3.299  -0.964
  436    HB3  ALA  55           HB3      ALA  55   8.871  -3.519   0.442
  437    H    LEU  56           HN       LEU  56  10.741  -0.993  -2.105
  438    HA   LEU  56           HA       LEU  56   9.609   0.994  -3.680
  439    HB2  LEU  56           HB2      LEU  56  12.064  -0.123  -3.546
  440    HB3  LEU  56           HB1      LEU  56  11.506  -0.983  -4.961
  441    HG   LEU  56           HG       LEU  56  12.860   0.974  -5.569
  442   HD11  LEU  56          HD11      LEU  56   9.980   1.420  -6.378
  443   HD12  LEU  56          HD12      LEU  56  11.125   0.320  -7.150
  444   HD13  LEU  56          HD13      LEU  56  11.415   2.058  -7.193
  445   HD21  LEU  56          HD21      LEU  56  12.158   3.267  -5.110
  446   HD22  LEU  56          HD22      LEU  56  12.416   2.379  -3.612
  447   HD23  LEU  56          HD23      LEU  56  10.773   2.685  -4.179
  448    H    GLY  57           HN       GLY  57   9.405  -2.529  -4.015
  449    HA2  GLY  57           HA2      GLY  57   8.031  -2.752  -6.461
  450    HA3  GLY  57           HA1      GLY  57   7.927  -3.898  -5.125
  451    H    GLU  58           HN       GLU  58   6.839  -2.094  -3.204
  452    HA   GLU  58           HA       GLU  58   4.026  -2.177  -3.878
  453    HB2  GLU  58           HB2      GLU  58   5.398  -1.161  -1.354
  454    HB3  GLU  58           HB1      GLU  58   3.668  -1.459  -1.541
  455    HG2  GLU  58           HG2      GLU  58   4.132  -3.856  -1.922
  456    HG3  GLU  58           HG1      GLU  58   5.859  -3.553  -1.687
  457    H    LEU  59           HN       LEU  59   6.541   0.230  -3.897
  458    HA   LEU  59           HA       LEU  59   4.793   2.530  -4.009
  459    HB2  LEU  59           HB2      LEU  59   7.716   2.258  -4.826
  460    HB3  LEU  59           HB1      LEU  59   6.835   3.776  -4.701
  461    HG   LEU  59           HG       LEU  59   7.600   1.913  -2.417
  462   HD11  LEU  59          HD11      LEU  59   8.488   4.750  -3.022
  463   HD12  LEU  59          HD12      LEU  59   9.447   3.281  -3.238
  464   HD13  LEU  59          HD13      LEU  59   8.959   3.780  -1.620
  465   HD21  LEU  59          HD21      LEU  59   6.566   3.563  -0.893
  466   HD22  LEU  59          HD22      LEU  59   5.385   2.796  -1.946
  467   HD23  LEU  59          HD23      LEU  59   5.924   4.443  -2.283
  468    H    GLN  60           HN       GLN  60   6.356   0.361  -6.351
  469    HA   GLN  60           HA       GLN  60   5.427   1.584  -8.729
  470    HB2  GLN  60           HB2      GLN  60   5.946  -1.384  -8.264
  471    HB3  GLN  60           HB1      GLN  60   5.852  -0.585  -9.831
  472    HG2  GLN  60           HG2      GLN  60   8.020  -0.333  -7.730
  473    HG3  GLN  60           HG1      GLN  60   8.160  -0.954  -9.374
  474   HE21  GLN  60          HE21      GLN  60   8.034   1.904  -7.384
  475   HE22  GLN  60          HE22      GLN  60   8.452   3.036  -8.620
  476    H    LYS  61           HN       LYS  61   3.732  -0.211  -6.311
  477    HA   LYS  61           HA       LYS  61   1.437  -0.910  -7.942
  478    HB2  LYS  61           HB2      LYS  61   1.664  -0.823  -4.903
  479    HB3  LYS  61           HB1      LYS  61   0.376  -1.594  -5.827
  480    HG2  LYS  61           HG2      LYS  61   3.290  -2.427  -5.780
  481    HG3  LYS  61           HG1      LYS  61   1.967  -3.232  -4.934
  482    HD2  LYS  61           HD2      LYS  61   0.934  -3.833  -7.092
  483    HD3  LYS  61           HD1      LYS  61   2.215  -2.982  -7.966
  484    HE2  LYS  61           HE2      LYS  61   3.879  -4.573  -7.078
  485    HE3  LYS  61           HE1      LYS  61   2.618  -5.395  -6.156
  486    HZ1  LYS  61           HZ1      LYS  61   2.757  -5.194  -9.111
  487    HZ2  LYS  61           HZ2      LYS  61   1.527  -5.957  -8.233
  488    HZ3  LYS  61           HZ3      LYS  61   3.105  -6.565  -8.182
  489    H    LEU  62           HN       LEU  62   2.569   1.995  -6.587
  490    HA   LEU  62           HA       LEU  62  -0.075   3.124  -5.970
  491    HB2  LEU  62           HB2      LEU  62   2.690   4.380  -5.661
  492    HB3  LEU  62           HB1      LEU  62   1.174   5.017  -5.029
  493    HG   LEU  62           HG       LEU  62   2.557   2.462  -4.122
  494   HD11  LEU  62          HD11      LEU  62   2.948   3.653  -2.010
  495   HD12  LEU  62          HD12      LEU  62   2.252   5.122  -2.697
  496   HD13  LEU  62          HD13      LEU  62   3.738   4.449  -3.369
  497   HD21  LEU  62          HD21      LEU  62   0.139   2.190  -3.975
  498   HD22  LEU  62          HD22      LEU  62  -0.016   3.714  -3.097
  499   HD23  LEU  62          HD23      LEU  62   0.830   2.349  -2.363
  500    H    LYS  63           HN       LYS  63  -0.866   3.225  -8.165
  501    HA   LYS  63           HA       LYS  63   0.400   5.101 -10.026
  502    HB2  LYS  63           HB2      LYS  63  -0.859   3.026 -10.781
  503    HB3  LYS  63           HB1      LYS  63  -2.350   3.752 -10.206
  504    HG2  LYS  63           HG2      LYS  63  -0.625   5.002 -12.375
  505    HG3  LYS  63           HG1      LYS  63  -1.899   3.836 -12.723
  506    HD2  LYS  63           HD2      LYS  63  -3.554   5.411 -11.661
  507    HD3  LYS  63           HD1      LYS  63  -2.253   6.583 -11.452
  508    HE2  LYS  63           HE2      LYS  63  -3.517   7.188 -13.416
  509    HE3  LYS  63           HE1      LYS  63  -1.942   6.594 -13.941
  510    HZ1  LYS  63           HZ1      LYS  63  -3.764   5.728 -15.286
  511    HZ2  LYS  63           HZ2      LYS  63  -4.449   5.008 -13.919
  512    HZ3  LYS  63           HZ3      LYS  63  -2.946   4.485 -14.485
  513    H    ASN  64           HN       ASN  64  -2.226   4.943  -7.704
  514    HA   ASN  64           HA       ASN  64  -2.545   7.857  -7.738
  515    HB2  ASN  64           HB2      ASN  64  -5.079   7.557  -7.754
  516    HB3  ASN  64           HB1      ASN  64  -4.282   7.219  -9.281
  517   HD21  ASN  64          HD21      ASN  64  -4.383   5.180 -10.130
  518   HD22  ASN  64          HD22      ASN  64  -5.257   3.875  -9.419
  519    H    VAL  65           HN       VAL  65  -4.193   8.467  -5.931
  520    HA   VAL  65           HA       VAL  65  -3.178   7.566  -3.424
  521    HB   VAL  65           HB       VAL  65  -5.537   9.444  -3.943
  522   HG11  VAL  65          HG11      VAL  65  -5.102  10.330  -1.690
  523   HG12  VAL  65          HG12      VAL  65  -3.808   9.154  -1.450
  524   HG13  VAL  65          HG13      VAL  65  -5.478   8.610  -1.618
  525   HG21  VAL  65          HG21      VAL  65  -3.518  10.285  -5.066
  526   HG22  VAL  65          HG22      VAL  65  -2.591  10.129  -3.572
  527   HG23  VAL  65          HG23      VAL  65  -3.910  11.302  -3.675
  528    H    GLY  66           HN       GLY  66  -5.885   6.639  -5.375
  529    HA2  GLY  66           HA2      GLY  66  -7.433   5.242  -3.436
  530    HA3  GLY  66           HA1      GLY  66  -7.363   4.897  -5.166
  531    H    ASP  67           HN       ASP  67  -4.571   4.400  -5.389
  532    HA   ASP  67           HA       ASP  67  -4.296   1.722  -4.430
  533    HB2  ASP  67           HB2      ASP  67  -2.245   3.584  -5.688
  534    HB3  ASP  67           HB1      ASP  67  -1.935   1.888  -5.323
  535    H    LEU  68           HN       LEU  68  -2.952   4.895  -3.377
  536    HA   LEU  68           HA       LEU  68  -1.437   3.961  -1.190
  537    HB2  LEU  68           HB2      LEU  68  -2.776   6.597  -1.789
  538    HB3  LEU  68           HB1      LEU  68  -2.281   6.317  -0.142
  539    HG   LEU  68           HG       LEU  68  -0.583   7.606  -1.170
  540   HD11  LEU  68          HD11      LEU  68   0.211   5.923   0.369
  541   HD12  LEU  68          HD12      LEU  68   1.398   6.228  -0.894
  542   HD13  LEU  68          HD13      LEU  68   0.412   4.764  -0.949
  543   HD21  LEU  68          HD21      LEU  68  -0.436   5.551  -3.401
  544   HD22  LEU  68          HD22      LEU  68   0.622   6.955  -3.215
  545   HD23  LEU  68          HD23      LEU  68  -1.098   7.184  -3.522
  546    H    ALA  69           HN       ALA  69  -4.894   4.599  -1.534
  547    HA   ALA  69           HA       ALA  69  -5.680   4.421   1.161
  548    HB1  ALA  69           HB1      ALA  69  -7.950   3.988   0.267
  549    HB2  ALA  69           HB2      ALA  69  -7.268   3.714  -1.337
  550    HB3  ALA  69           HB3      ALA  69  -7.155   5.311  -0.594
  551    H    ASP  70           HN       ASP  70  -5.510   1.963  -1.393
  552    HA   ASP  70           HA       ASP  70  -6.223  -0.294   0.177
  553    HB2  ASP  70           HB2      ASP  70  -4.598  -0.110  -2.393
  554    HB3  ASP  70           HB1      ASP  70  -5.105  -1.636  -1.673
  555    H    LEU  71           HN       LEU  71  -3.045   1.069  -0.721
  556    HA   LEU  71           HA       LEU  71  -1.466  -1.096   0.196
  557    HB2  LEU  71           HB2      LEU  71  -0.964   1.097  -1.387
  558    HB3  LEU  71           HB1      LEU  71  -0.172   1.618   0.078
  559    HG   LEU  71           HG       LEU  71   1.437   0.627  -1.463
  560   HD11  LEU  71          HD11      LEU  71   2.501  -1.057  -0.048
  561   HD12  LEU  71          HD12      LEU  71   1.025  -1.197   0.914
  562   HD13  LEU  71          HD13      LEU  71   1.923   0.320   0.885
  563   HD21  LEU  71          HD21      LEU  71  -0.070  -0.822  -2.719
  564   HD22  LEU  71          HD22      LEU  71  -0.198  -1.925  -1.343
  565   HD23  LEU  71          HD23      LEU  71   1.351  -1.707  -2.169
  566    H    VAL  72           HN       VAL  72  -1.961   2.160   1.608
  567    HA   VAL  72           HA       VAL  72  -0.657   1.761   4.048
  568    HB   VAL  72           HB       VAL  72  -2.959   3.674   3.434
  569   HG11  VAL  72          HG11      VAL  72  -2.154   5.024   5.355
  570   HG12  VAL  72          HG12      VAL  72  -0.960   3.781   5.730
  571   HG13  VAL  72          HG13      VAL  72  -2.679   3.416   5.869
  572   HG21  VAL  72          HG21      VAL  72  -1.035   4.020   1.911
  573   HG22  VAL  72          HG22      VAL  72   0.049   4.157   3.298
  574   HG23  VAL  72          HG23      VAL  72  -1.193   5.382   3.027
  575    H    ASP  73           HN       ASP  73  -4.041   1.046   3.088
  576    HA   ASP  73           HA       ASP  73  -4.958   0.302   5.707
  577    HB2  ASP  73           HB2      ASP  73  -6.472   0.887   3.768
  578    HB3  ASP  73           HB1      ASP  73  -6.072  -0.658   3.035
  579    H    LYS  74           HN       LYS  74  -3.251  -1.394   3.202
  580    HA   LYS  74           HA       LYS  74  -3.504  -4.044   4.330
  581    HB2  LYS  74           HB2      LYS  74  -1.452  -2.979   2.347
  582    HB3  LYS  74           HB1      LYS  74  -1.635  -4.671   2.788
  583    HG2  LYS  74           HG2      LYS  74  -3.671  -2.966   1.334
  584    HG3  LYS  74           HG1      LYS  74  -2.666  -4.226   0.626
  585    HD2  LYS  74           HD2      LYS  74  -4.748  -4.710   2.795
  586    HD3  LYS  74           HD1      LYS  74  -5.057  -4.897   1.069
  587    HE2  LYS  74           HE2      LYS  74  -2.959  -6.460   2.620
  588    HE3  LYS  74           HE1      LYS  74  -4.574  -7.049   2.219
  589    HZ1  LYS  74           HZ1      LYS  74  -2.505  -6.256   0.244
  590    HZ2  LYS  74           HZ2      LYS  74  -4.046  -6.843  -0.119
  591    HZ3  LYS  74           HZ3      LYS  74  -2.922  -7.841   0.651
  592    H    LYS  75           HN       LYS  75  -1.306  -1.325   4.773
  593    HA   LYS  75           HA       LYS  75   0.539  -2.676   6.513
  594    HB2  LYS  75           HB2      LYS  75  -0.064   0.305   6.253
  595    HB3  LYS  75           HB1      LYS  75   1.338  -0.398   7.060
  596    HG2  LYS  75           HG2      LYS  75   0.705  -0.536   4.094
  597    HG3  LYS  75           HG1      LYS  75   1.961   0.446   4.860
  598    HD2  LYS  75           HD2      LYS  75   3.177  -1.559   5.543
  599    HD3  LYS  75           HD1      LYS  75   1.873  -2.597   4.962
  600    HE2  LYS  75           HE2      LYS  75   2.308  -1.828   2.653
  601    HE3  LYS  75           HE1      LYS  75   3.641  -0.831   3.243
  602    HZ1  LYS  75           HZ1      LYS  75   4.787  -2.776   3.956
  603    HZ2  LYS  75           HZ2      LYS  75   4.328  -2.985   2.343
  604    HZ3  LYS  75           HZ3      LYS  75   3.475  -3.770   3.567
  605    H    LEU  76           HN       LEU  76  -2.438  -0.813   6.915
  606    HA   LEU  76           HA       LEU  76  -2.488  -0.892   9.788
  607    HB2  LEU  76           HB2      LEU  76  -4.755  -0.389   7.809
  608    HB3  LEU  76           HB1      LEU  76  -4.846  -0.112   9.543
  609    HG   LEU  76           HG       LEU  76  -3.078   1.397   7.576
  610   HD11  LEU  76          HD11      LEU  76  -5.532   2.351   9.075
  611   HD12  LEU  76          HD12      LEU  76  -5.416   2.014   7.345
  612   HD13  LEU  76          HD13      LEU  76  -4.490   3.339   8.043
  613   HD21  LEU  76          HD21      LEU  76  -2.450   2.861   9.460
  614   HD22  LEU  76          HD22      LEU  76  -1.917   1.201   9.711
  615   HD23  LEU  76          HD23      LEU  76  -3.332   1.811  10.575
  616    H    ALA  77           HN       ALA  77  -3.429  -3.091   7.232
  617    HA   ALA  77           HA       ALA  77  -4.928  -4.947   8.802
  618    HB1  ALA  77           HB1      ALA  77  -4.473  -6.568   7.009
  619    HB2  ALA  77           HB2      ALA  77  -3.234  -5.504   6.335
  620    HB3  ALA  77           HB3      ALA  77  -4.924  -5.003   6.329
  621    H    ARG  78           HN       ARG  78  -1.480  -4.501   8.141
  622    HA   ARG  78           HA       ARG  78  -0.505  -6.751   9.602
  623    HB2  ARG  78           HB2      ARG  78   0.922  -4.132   8.968
  624    HB3  ARG  78           HB1      ARG  78   1.703  -5.619   9.499
  625    HG2  ARG  78           HG2      ARG  78   0.207  -5.237   6.885
  626    HG3  ARG  78           HG1      ARG  78   1.961  -5.258   7.080
  627    HD2  ARG  78           HD2      ARG  78   1.863  -7.598   7.832
  628    HD3  ARG  78           HD1      ARG  78   0.098  -7.582   7.695
  629    HE   ARG  78           HE       ARG  78   1.142  -6.831   5.226
  630   HH11  ARG  78          HH11      ARG  78   1.124  -9.737   7.224
  631   HH12  ARG  78          HH12      ARG  78   1.254 -10.801   5.860
  632   HH21  ARG  78          HH21      ARG  78   1.279  -8.209   3.483
  633   HH22  ARG  78          HH22      ARG  78   1.325  -9.925   3.717
  634    H    LYS  79           HN       LYS  79  -1.474  -3.504  10.575
  635    HA   LYS  79           HA       LYS  79  -0.248  -3.673  13.216
  636    HB2  LYS  79           HB2      LYS  79  -2.140  -1.572  12.073
  637    HB3  LYS  79           HB1      LYS  79  -1.273  -1.445  13.605
  638    HG2  LYS  79           HG2      LYS  79  -0.097  -1.448  10.809
  639    HG3  LYS  79           HG1      LYS  79  -0.080  -0.137  11.990
  640    HD2  LYS  79           HD2      LYS  79   1.381  -1.550  13.471
  641    HD3  LYS  79           HD1      LYS  79   1.413  -2.787  12.211
  642    HE2  LYS  79           HE2      LYS  79   3.446  -1.482  12.091
  643    HE3  LYS  79           HE1      LYS  79   2.461  -1.112  10.671
  644    HZ1  LYS  79           HZ1      LYS  79   3.374   0.880  11.646
  645    HZ2  LYS  79           HZ2      LYS  79   2.654   0.527  13.133
  646    HZ3  LYS  79           HZ3      LYS  79   1.692   0.888  11.790
  647    H    LEU  80           HN       LEU  80  -3.552  -3.554  11.921
  648    HA   LEU  80           HA       LEU  80  -4.829  -4.270  14.400
  649    HB2  LEU  80           HB2      LEU  80  -5.866  -3.877  11.579
  650    HB3  LEU  80           HB1      LEU  80  -6.899  -4.536  12.830
  651    HG   LEU  80           HG       LEU  80  -7.359  -2.172  12.525
  652   HD11  LEU  80          HD11      LEU  80  -7.140  -1.359  14.813
  653   HD12  LEU  80          HD12      LEU  80  -5.971  -2.635  15.174
  654   HD13  LEU  80          HD13      LEU  80  -7.637  -3.048  14.763
  655   HD21  LEU  80          HD21      LEU  80  -4.461  -1.594  13.221
  656   HD22  LEU  80          HD22      LEU  80  -5.742  -0.400  12.970
  657   HD23  LEU  80          HD23      LEU  80  -5.215  -1.417  11.633
  658    H    GLU  81           HN       GLU  81  -2.995  -6.090  12.337
  659    HA   GLU  81           HA       GLU  81  -4.117  -8.641  12.492
  660    HB2  GLU  81           HB2      GLU  81  -1.988  -8.145  11.326
  661    HB3  GLU  81           HB1      GLU  81  -1.200  -7.784  12.853
  662    HG2  GLU  81           HG2      GLU  81  -2.350 -10.533  12.332
  663    HG3  GLU  81           HG1      GLU  81  -0.786 -10.085  11.663
  664    H    HIS  82           HN       HIS  82  -5.153  -9.273  14.267
  665    HA   HIS  82           HA       HIS  82  -3.782  -9.293  16.895
  666    HB2  HIS  82           HB2      HIS  82  -6.728  -8.758  16.306
  667    HB3  HIS  82           HB1      HIS  82  -6.108  -9.119  17.910
  668    HD1  HIS  82           HD1      HIS  82  -6.723  -6.358  15.608
  669    HD2  HIS  82           HD2      HIS  82  -4.310  -7.040  18.909
  670    HE1  HIS  82           HE1      HIS  82  -6.112  -4.083  16.473
  671    HE2  HIS  82           HE2      HIS  82  -4.543  -4.526  18.388
  672    H    HIS  83           HN       HIS  83  -3.011 -11.338  16.234
  673    HA   HIS  83           HA       HIS  83  -4.940 -13.561  16.134
  674    HB2  HIS  83           HB2      HIS  83  -1.964 -13.370  15.513
  675    HB3  HIS  83           HB1      HIS  83  -2.768 -14.927  15.711
  676    HD1  HIS  83           HD1      HIS  83  -3.430 -15.911  13.583
  677    HD2  HIS  83           HD2      HIS  83  -3.501 -11.767  13.381
  678    HE1  HIS  83           HE1      HIS  83  -4.048 -15.370  11.213
  679    HE2  HIS  83           HE2      HIS  83  -3.850 -12.860  11.064
  680    H    HIS  84           HN       HIS  84  -5.225 -14.870  17.801
  681    HA   HIS  84           HA       HIS  84  -3.428 -15.416  19.920
  682    HB2  HIS  84           HB2      HIS  84  -4.107 -13.042  20.543
  683    HB3  HIS  84           HB1      HIS  84  -5.770 -13.596  20.692
  684    HD1  HIS  84           HD1      HIS  84  -6.420 -14.715  22.876
  685    HD2  HIS  84           HD2      HIS  84  -2.325 -14.075  22.545
  686    HE1  HIS  84           HE1      HIS  84  -5.483 -15.180  25.162
  687    HE2  HIS  84           HE2      HIS  84  -3.041 -14.587  24.978
  688    H    HIS  85           HN       HIS  85  -6.935 -14.969  19.301
  689    HA   HIS  85           HA       HIS  85  -7.776 -17.393  20.514
  690    HB2  HIS  85           HB2      HIS  85  -9.954 -16.999  19.399
  691    HB3  HIS  85           HB1      HIS  85  -9.353 -15.543  20.169
  692    HD1  HIS  85           HD1      HIS  85  -9.169 -13.471  18.726
  693    HD2  HIS  85           HD2      HIS  85  -9.793 -16.909  16.472
  694    HE1  HIS  85           HE1      HIS  85  -9.622 -12.676  16.381
  695    HE2  HIS  85           HE2      HIS  85  -9.982 -14.772  15.031
  696    H    HIS  86           HN       HIS  86  -7.721 -19.435  19.809
  697    HA   HIS  86           HA       HIS  86  -7.517 -21.311  18.592
  698    HB2  HIS  86           HB2      HIS  86  -9.363 -20.517  17.220
  699    HB3  HIS  86           HB1      HIS  86  -8.281 -19.516  16.266
  700    HD1  HIS  86           HD1      HIS  86  -7.246 -20.558  14.247
  701    HD2  HIS  86           HD2      HIS  86  -9.073 -23.358  16.716
  702    HE1  HIS  86           HE1      HIS  86  -7.302 -22.682  12.922
  703    HE2  HIS  86           HE2      HIS  86  -8.216 -24.410  14.506
  704    H    HIS  87           HN       HIS  87  -6.237 -18.953  16.261
  705    HA   HIS  87           HA       HIS  87  -3.503 -19.480  17.020
  706    HB2  HIS  87           HB2      HIS  87  -3.857 -21.206  15.268
  707    HB3  HIS  87           HB1      HIS  87  -4.451 -19.984  14.149
  708    HD1  HIS  87           HD1      HIS  87  -1.269 -20.669  16.134
  709    HD2  HIS  87           HD2      HIS  87  -2.479 -19.096  12.483
  710    HE1  HIS  87           HE1      HIS  87   0.848 -20.115  14.909
  711    HE2  HIS  87           HE2      HIS  87   0.085 -18.981  12.802
  712   H282  PNS  88          H282      PNS  88   6.855  12.797  -9.887
  713   H281  PNS  88          H281      PNS  88   7.272  12.022 -11.423
  714   H303  PNS  88          H303      PNS  88   4.559   9.854  -9.930
  715   H302  PNS  88          H302      PNS  88   4.677  11.599 -10.175
  716   H301  PNS  88          H301      PNS  88   5.117  10.506 -11.485
  717   H313  PNS  88          H313      PNS  88   7.570  10.613  -7.938
  718   H312  PNS  88          H312      PNS  88   6.013  11.456  -7.960
  719   H311  PNS  88          H311      PNS  88   6.060   9.695  -8.003
  720    H32  PNS  88           H32      PNS  88   7.627   9.561 -11.535
  721    H33  PNS  88           H33      PNS  88   8.777   9.785  -9.161
  722    H36  PNS  88           H36      PNS  88   6.608   8.016  -8.458
  723   H372  PNS  88          H372      PNS  88   5.718   5.596  -9.717
  724   H371  PNS  88          H371      PNS  88   5.562   6.038  -8.013
  725   H382  PNS  88          H382      PNS  88   3.806   7.039 -10.257
  726   H381  PNS  88          H381      PNS  88   3.351   5.811  -9.080
  727    H41  PNS  88           H41      PNS  88   1.511   7.184  -8.559
  728   H422  PNS  88          H422      PNS  88   2.037   9.049  -6.375
  729   H421  PNS  88          H421      PNS  88   1.283   9.768  -7.804
  730   H431  PNS  88          H431      PNS  88   0.158   7.425  -6.251
  731   H432  PNS  88          H432      PNS  88  -0.589   8.226  -7.630
  732    H44  PNS  88           H44      PNS  88  -0.388   9.238  -4.436
  Start of MODEL    3
    1    H1   MET   1           HT1      MET   1 -11.772  -0.379   5.641
    2    H2   MET   1           HT2      MET   1 -12.758   0.991   5.720
    3    H3   MET   1           HT3      MET   1 -11.525   0.767   6.852
    4    HA   MET   1           HA       MET   1  -9.857   0.977   5.176
    5    HB2  MET   1           HB2      MET   1 -12.231   1.429   3.321
    6    HB3  MET   1           HB1      MET   1 -10.553   1.720   2.880
    7    HG2  MET   1           HG2      MET   1 -10.054  -0.665   3.252
    8    HG3  MET   1           HG1      MET   1 -11.753  -0.951   3.634
    9    HE1  MET   1           HE1      MET   1 -11.771  -2.912   1.753
   10    HE2  MET   1           HE2      MET   1 -10.065  -2.565   1.461
   11    HE3  MET   1           HE3      MET   1 -11.194  -2.644   0.108
   12    HA   PRO   2           HA       PRO   2 -10.974   5.203   6.712
   13    HB2  PRO   2           HB2      PRO   2  -9.297   5.379   8.764
   14    HB3  PRO   2           HB1      PRO   2 -10.644   4.233   8.846
   15    HG2  PRO   2           HG2      PRO   2  -7.735   3.699   8.285
   16    HG3  PRO   2           HG1      PRO   2  -8.875   2.759   9.270
   17    HD2  PRO   2           HD2      PRO   2  -8.201   2.255   6.551
   18    HD3  PRO   2           HD1      PRO   2  -9.554   1.530   7.447
   19    H    THR   3           HN       THR   3  -9.002   4.368   4.522
   20    HA   THR   3           HA       THR   3  -6.421   5.381   5.096
   21    HB   THR   3           HB       THR   3  -5.985   4.859   2.650
   22    HG1  THR   3           HG1      THR   3  -7.925   3.497   1.849
   23   HG21  THR   3          HG21      THR   3  -7.333   2.680   4.293
   24   HG22  THR   3          HG22      THR   3  -5.642   3.170   4.431
   25   HG23  THR   3          HG23      THR   3  -6.222   2.422   2.944
   26    H    LEU   4           HN       LEU   4  -8.760   6.493   2.541
   27    HA   LEU   4           HA       LEU   4  -7.308   8.644   1.594
   28    HB2  LEU   4           HB2      LEU   4 -10.342   8.502   1.845
   29    HB3  LEU   4           HB1      LEU   4  -9.458   9.579   0.772
   30    HG   LEU   4           HG       LEU   4  -9.514   6.534   0.551
   31   HD11  LEU   4          HD11      LEU   4 -10.868   6.867  -1.464
   32   HD12  LEU   4          HD12      LEU   4 -10.887   8.610  -1.187
   33   HD13  LEU   4          HD13      LEU   4 -11.678   7.524  -0.042
   34   HD21  LEU   4          HD21      LEU   4  -8.253   8.580  -1.313
   35   HD22  LEU   4          HD22      LEU   4  -8.366   6.840  -1.605
   36   HD23  LEU   4          HD23      LEU   4  -7.385   7.448  -0.273
   37    H    ASP   5           HN       ASP   5  -9.598   8.570   4.287
   38    HA   ASP   5           HA       ASP   5  -9.545  11.314   4.997
   39    HB2  ASP   5           HB2      ASP   5 -10.225   8.852   6.658
   40    HB3  ASP   5           HB1      ASP   5 -10.482  10.505   7.205
   41    H    ALA   6           HN       ALA   6  -7.785   8.514   6.395
   42    HA   ALA   6           HA       ALA   6  -6.231   9.903   8.273
   43    HB1  ALA   6           HB1      ALA   6  -4.812   7.889   8.307
   44    HB2  ALA   6           HB2      ALA   6  -5.560   7.324   6.809
   45    HB3  ALA   6           HB3      ALA   6  -6.523   7.456   8.283
   46    H    LEU   7           HN       LEU   7  -5.784   9.429   4.843
   47    HA   LEU   7           HA       LEU   7  -3.026  10.285   4.773
   48    HB2  LEU   7           HB2      LEU   7  -4.984   9.732   2.509
   49    HB3  LEU   7           HB1      LEU   7  -3.271  10.066   2.302
   50    HG   LEU   7           HG       LEU   7  -4.472   7.609   3.644
   51   HD11  LEU   7          HD11      LEU   7  -4.710   7.559   1.219
   52   HD12  LEU   7          HD12      LEU   7  -3.534   6.358   1.751
   53   HD13  LEU   7          HD13      LEU   7  -2.983   7.869   1.017
   54   HD21  LEU   7          HD21      LEU   7  -2.393   8.214   4.779
   55   HD22  LEU   7          HD22      LEU   7  -1.542   8.283   3.233
   56   HD23  LEU   7          HD23      LEU   7  -2.176   6.746   3.827
   57    H    THR   8           HN       THR   8  -6.149  11.815   4.680
   58    HA   THR   8           HA       THR   8  -5.669  14.029   3.062
   59    HB   THR   8           HB       THR   8  -7.422  14.000   5.554
   60    HG1  THR   8           HG1      THR   8  -7.621  12.704   3.215
   61   HG21  THR   8          HG21      THR   8  -8.705  15.786   4.416
   62   HG22  THR   8          HG22      THR   8  -7.524  15.808   3.103
   63   HG23  THR   8          HG23      THR   8  -7.047  16.303   4.729
   64    HA   PRO   9           HA       PRO   9  -3.813  16.521   6.938
   65    HB2  PRO   9           HB2      PRO   9  -2.910  14.280   8.734
   66    HB3  PRO   9           HB1      PRO   9  -3.617  15.848   9.156
   67    HG2  PRO   9           HG2      PRO   9  -5.067  13.616   9.351
   68    HG3  PRO   9           HG1      PRO   9  -5.809  15.117   8.751
   69    HD2  PRO   9           HD2      PRO   9  -4.814  12.732   7.175
   70    HD3  PRO   9           HD1      PRO   9  -6.320  13.655   6.983
   71    H    ILE  10           HN       ILE  10  -2.523  13.369   5.961
   72    HA   ILE  10           HA       ILE  10   0.242  13.895   6.192
   73    HB   ILE  10           HB       ILE  10  -1.192  12.008   4.269
   74   HG12  ILE  10          HG12      ILE  10  -1.592  11.466   6.663
   75   HG13  ILE  10          HG11      ILE  10  -0.638  10.214   5.880
   76   HG21  ILE  10          HG21      ILE  10   1.045  12.495   3.395
   77   HG22  ILE  10          HG22      ILE  10   0.980  10.841   3.990
   78   HG23  ILE  10          HG23      ILE  10   1.777  12.086   4.950
   79   HD11  ILE  10          HD11      ILE  10   1.393  11.111   6.925
   80   HD12  ILE  10          HD12      ILE  10   0.170  10.663   8.111
   81   HD13  ILE  10          HD13      ILE  10   0.428  12.362   7.720
   82    H    PHE  11           HN       PHE  11  -1.865  14.023   3.282
   83    HA   PHE  11           HA       PHE  11   0.116  15.052   1.522
   84    HB2  PHE  11           HB2      PHE  11  -2.917  14.891   1.336
   85    HB3  PHE  11           HB1      PHE  11  -1.947  15.602   0.053
   86    HD1  PHE  11           HD2      PHE  11  -1.986  12.422   2.092
   87    HD2  PHE  11           HD1      PHE  11  -1.457  14.208  -1.749
   88    HE1  PHE  11           HE2      PHE  11  -1.746  10.194   1.094
   89    HE2  PHE  11           HE1      PHE  11  -1.214  11.978  -2.732
   90    HZ   PHE  11           HZ       PHE  11  -1.359   9.966  -1.329
   91    H    ARG  12           HN       ARG  12  -2.543  16.590   3.347
   92    HA   ARG  12           HA       ARG  12  -2.246  19.225   2.491
   93    HB2  ARG  12           HB2      ARG  12  -3.187  18.091   5.142
   94    HB3  ARG  12           HB1      ARG  12  -3.195  19.823   4.817
   95    HG2  ARG  12           HG2      ARG  12  -4.734  19.452   2.902
   96    HG3  ARG  12           HG1      ARG  12  -4.746  17.719   3.259
   97    HD2  ARG  12           HD2      ARG  12  -5.775  18.137   5.436
   98    HD3  ARG  12           HD1      ARG  12  -5.644  19.886   5.204
   99    HE   ARG  12           HE       ARG  12  -7.158  18.730   3.103
  100   HH11  ARG  12          HH11      ARG  12  -7.455  19.577   6.510
  101   HH12  ARG  12          HH12      ARG  12  -9.173  19.767   6.427
  102   HH21  ARG  12          HH21      ARG  12  -9.409  18.970   3.036
  103   HH22  ARG  12          HH22      ARG  12 -10.275  19.419   4.468
  104    H    GLN  13           HN       GLN  13  -0.387  17.479   5.008
  105    HA   GLN  13           HA       GLN  13   1.070  19.804   5.846
  106    HB2  GLN  13           HB2      GLN  13   0.680  17.849   7.341
  107    HB3  GLN  13           HB1      GLN  13   1.692  16.856   6.301
  108    HG2  GLN  13           HG2      GLN  13   2.962  17.523   8.249
  109    HG3  GLN  13           HG1      GLN  13   3.637  18.313   6.823
  110   HE21  GLN  13          HE21      GLN  13   4.582  19.995   7.983
  111   HE22  GLN  13          HE22      GLN  13   3.682  21.224   8.792
  112    H    VAL  14           HN       VAL  14   1.944  16.940   3.883
  113    HA   VAL  14           HA       VAL  14   4.585  17.483   3.269
  114    HB   VAL  14           HB       VAL  14   2.481  16.005   1.623
  115   HG11  VAL  14          HG11      VAL  14   4.383  14.945   0.370
  116   HG12  VAL  14          HG12      VAL  14   5.480  16.104   1.122
  117   HG13  VAL  14          HG13      VAL  14   4.208  16.671   0.039
  118   HG21  VAL  14          HG21      VAL  14   2.992  14.979   3.810
  119   HG22  VAL  14          HG22      VAL  14   4.711  14.948   3.409
  120   HG23  VAL  14          HG23      VAL  14   3.574  13.962   2.489
  121    H    PHE  15           HN       PHE  15   1.747  18.305   1.243
  122    HA   PHE  15           HA       PHE  15   3.326  19.823  -0.655
  123    HB2  PHE  15           HB2      PHE  15   0.312  19.435  -0.426
  124    HB3  PHE  15           HB1      PHE  15   1.117  20.262  -1.757
  125    HD1  PHE  15           HD2      PHE  15   2.565  18.966  -3.340
  126    HD2  PHE  15           HD1      PHE  15   0.271  17.004  -0.325
  127    HE1  PHE  15           HE2      PHE  15   2.841  16.827  -4.503
  128    HE2  PHE  15           HE1      PHE  15   0.562  14.869  -1.494
  129    HZ   PHE  15           HZ       PHE  15   1.844  14.778  -3.593
  130    H    ASP  16           HN       ASP  16   1.754  20.488   2.315
  131    HA   ASP  16           HA       ASP  16   1.352  22.295   3.580
  132    HB2  ASP  16           HB2      ASP  16   3.710  22.913   3.025
  133    HB3  ASP  16           HB1      ASP  16   3.138  23.816   1.629
  134    H    ASP  17           HN       ASP  17  -0.822  22.074   2.953
  135    HA   ASP  17           HA       ASP  17  -2.121  24.152   1.485
  136    HB2  ASP  17           HB2      ASP  17  -1.072  22.583  -0.326
  137    HB3  ASP  17           HB1      ASP  17  -2.227  21.370   0.197
  138    H    ASP  18           HN       ASP  18  -4.553  23.055   1.024
  139    HA   ASP  18           HA       ASP  18  -5.455  21.366   3.214
  140    HB2  ASP  18           HB2      ASP  18  -5.390  23.713   4.203
  141    HB3  ASP  18           HB1      ASP  18  -6.535  24.220   2.970
  142    H    SER  19           HN       SER  19  -5.915  23.059   0.248
  143    HA   SER  19           HA       SER  19  -8.701  22.394  -0.175
  144    HB2  SER  19           HB2      SER  19  -6.644  23.604  -2.076
  145    HB3  SER  19           HB1      SER  19  -8.372  23.463  -2.404
  146    HG   SER  19           HG       SER  19  -7.017  25.170  -0.684
  147    H    ILE  20           HN       ILE  20  -5.710  20.776  -0.727
  148    HA   ILE  20           HA       ILE  20  -6.299  18.992  -2.800
  149    HB   ILE  20           HB       ILE  20  -4.715  18.490  -0.229
  150   HG12  ILE  20          HG12      ILE  20  -3.769  19.149  -3.059
  151   HG13  ILE  20          HG11      ILE  20  -3.802  20.284  -1.709
  152   HG21  ILE  20          HG21      ILE  20  -4.772  16.758  -2.738
  153   HG22  ILE  20          HG22      ILE  20  -5.417  16.305  -1.159
  154   HG23  ILE  20          HG23      ILE  20  -3.681  16.536  -1.370
  155   HD11  ILE  20          HD11      ILE  20  -2.095  17.800  -1.926
  156   HD12  ILE  20          HD12      ILE  20  -2.135  18.904  -0.545
  157   HD13  ILE  20          HD13      ILE  20  -1.576  19.474  -2.114
  158    H    VAL  21           HN       VAL  21  -7.961  17.632  -3.017
  159    HA   VAL  21           HA       VAL  21  -9.196  16.351  -0.650
  160    HB   VAL  21           HB       VAL  21 -10.631  17.205  -3.216
  161   HG11  VAL  21          HG11      VAL  21 -11.748  15.770  -0.769
  162   HG12  VAL  21          HG12      VAL  21 -11.549  15.074  -2.377
  163   HG13  VAL  21          HG13      VAL  21 -12.712  16.376  -2.121
  164   HG21  VAL  21          HG21      VAL  21 -10.195  19.117  -1.709
  165   HG22  VAL  21          HG22      VAL  21 -10.963  18.255  -0.373
  166   HG23  VAL  21          HG23      VAL  21 -11.919  18.746  -1.773
  167    H    LEU  22           HN       LEU  22  -8.508  14.356  -0.679
  168    HA   LEU  22           HA       LEU  22  -7.383  13.051  -2.942
  169    HB2  LEU  22           HB2      LEU  22  -8.082  11.957  -0.188
  170    HB3  LEU  22           HB1      LEU  22  -7.079  11.145  -1.389
  171    HG   LEU  22           HG       LEU  22  -6.403  13.766   0.007
  172   HD11  LEU  22          HD11      LEU  22  -4.624  12.502   1.102
  173   HD12  LEU  22          HD12      LEU  22  -5.158  11.019   0.307
  174   HD13  LEU  22          HD13      LEU  22  -6.204  11.822   1.483
  175   HD21  LEU  22          HD21      LEU  22  -4.210  13.604  -1.121
  176   HD22  LEU  22          HD22      LEU  22  -5.519  13.777  -2.285
  177   HD23  LEU  22          HD23      LEU  22  -4.770  12.196  -2.030
  178    H    THR  23           HN       THR  23  -8.336  11.813  -4.346
  179    HA   THR  23           HA       THR  23 -10.810  10.332  -3.717
  180    HB   THR  23           HB       THR  23 -11.525  10.567  -6.106
  181    HG1  THR  23           HG1      THR  23  -9.695  12.671  -6.475
  182   HG21  THR  23          HG21      THR  23 -12.462  12.171  -4.463
  183   HG22  THR  23          HG22      THR  23 -12.292  12.908  -6.058
  184   HG23  THR  23          HG23      THR  23 -11.126  13.279  -4.786
  185    H    ARG  24           HN       ARG  24 -10.927   8.373  -5.203
  186    HA   ARG  24           HA       ARG  24  -8.630   6.807  -4.945
  187    HB2  ARG  24           HB2      ARG  24 -11.051   6.397  -6.734
  188    HB3  ARG  24           HB1      ARG  24  -9.818   5.171  -6.440
  189    HG2  ARG  24           HG2      ARG  24 -10.406   5.130  -4.051
  190    HG3  ARG  24           HG1      ARG  24 -11.619   6.390  -4.315
  191    HD2  ARG  24           HD2      ARG  24 -12.858   4.897  -5.824
  192    HD3  ARG  24           HD1      ARG  24 -11.637   3.640  -5.609
  193    HE   ARG  24           HE       ARG  24 -12.524   4.200  -3.074
  194   HH11  ARG  24          HH11      ARG  24 -14.089   3.186  -6.051
  195   HH12  ARG  24          HH12      ARG  24 -15.304   2.258  -5.240
  196   HH21  ARG  24          HH21      ARG  24 -14.113   2.973  -2.024
  197   HH22  ARG  24          HH22      ARG  24 -15.316   2.133  -2.951
  198    H    GLU  25           HN       GLU  25  -9.666   8.868  -7.603
  199    HA   GLU  25           HA       GLU  25  -7.866   7.644  -9.545
  200    HB2  GLU  25           HB2      GLU  25  -8.823   9.322 -11.103
  201    HB3  GLU  25           HB1      GLU  25 -10.061   8.372 -10.292
  202    HG2  GLU  25           HG2      GLU  25 -10.554  10.204  -8.774
  203    HG3  GLU  25           HG1      GLU  25  -9.231  11.160  -9.435
  204    H    THR  26           HN       THR  26  -7.557  10.146  -7.194
  205    HA   THR  26           HA       THR  26  -6.084  12.121  -8.593
  206    HB   THR  26           HB       THR  26  -6.002  11.471  -5.608
  207    HG1  THR  26           HG1      THR  26  -7.931  12.463  -7.178
  208   HG21  THR  26          HG21      THR  26  -5.341  13.843  -5.304
  209   HG22  THR  26          HG22      THR  26  -5.248  14.047  -7.054
  210   HG23  THR  26          HG23      THR  26  -4.121  12.962  -6.231
  211    H    SER  27           HN       SER  27  -4.116  11.880  -9.512
  212    HA   SER  27           HA       SER  27  -2.003  10.340  -8.119
  213    HB2  SER  27           HB2      SER  27  -1.143   9.614 -10.305
  214    HB3  SER  27           HB1      SER  27  -2.827   9.122 -10.147
  215    HG   SER  27           HG       SER  27  -3.348  11.040 -11.359
  216    H    ALA  28           HN       ALA  28   0.170  10.992  -9.374
  217    HA   ALA  28           HA       ALA  28   0.819  13.600  -8.677
  218    HB1  ALA  28           HB1      ALA  28   2.983  13.177  -9.730
  219    HB2  ALA  28           HB2      ALA  28   2.312  11.780 -10.576
  220    HB3  ALA  28           HB3      ALA  28   2.443  11.766  -8.817
  221    H    ASN  29           HN       ASN  29  -0.583  12.510 -11.685
  222    HA   ASN  29           HA       ASN  29   0.190  14.879 -13.179
  223    HB2  ASN  29           HB2      ASN  29  -0.853  13.979 -15.056
  224    HB3  ASN  29           HB1      ASN  29  -0.426  12.526 -14.175
  225   HD21  ASN  29          HD21      ASN  29  -2.062  11.174 -13.466
  226   HD22  ASN  29          HD22      ASN  29  -3.729  11.429 -13.832
  227    H    ASP  30           HN       ASP  30  -2.419  14.014 -11.046
  228    HA   ASP  30           HA       ASP  30  -4.246  16.116 -11.825
  229    HB2  ASP  30           HB2      ASP  30  -4.208  14.299  -9.371
  230    HB3  ASP  30           HB1      ASP  30  -5.522  15.400  -9.783
  231    H    ILE  31           HN       ILE  31  -1.475  15.881  -9.773
  232    HA   ILE  31           HA       ILE  31  -2.007  18.571  -8.646
  233    HB   ILE  31           HB       ILE  31  -0.474  16.299  -7.276
  234   HG12  ILE  31          HG12      ILE  31  -3.147  17.594  -6.537
  235   HG13  ILE  31          HG11      ILE  31  -2.936  15.962  -7.152
  236   HG21  ILE  31          HG21      ILE  31  -0.990  19.134  -6.280
  237   HG22  ILE  31          HG22      ILE  31   0.569  18.483  -6.792
  238   HG23  ILE  31          HG23      ILE  31  -0.221  17.846  -5.350
  239   HD11  ILE  31          HD11      ILE  31  -1.985  17.001  -4.482
  240   HD12  ILE  31          HD12      ILE  31  -1.730  15.362  -5.090
  241   HD13  ILE  31          HD13      ILE  31  -3.364  15.947  -4.780
  242    H    ASP  32           HN       ASP  32  -0.784  19.889  -9.810
  243    HA   ASP  32           HA       ASP  32   1.484  19.262 -11.350
  244    HB2  ASP  32           HB2      ASP  32  -0.038  21.205 -11.779
  245    HB3  ASP  32           HB1      ASP  32   0.572  21.999 -10.335
  246    H    ALA  33           HN       ALA  33   1.176  20.357  -8.023
  247    HA   ALA  33           HA       ALA  33   3.932  21.004  -7.570
  248    HB1  ALA  33           HB1      ALA  33   1.772  20.259  -5.570
  249    HB2  ALA  33           HB2      ALA  33   2.115  21.888  -6.157
  250    HB3  ALA  33           HB3      ALA  33   3.319  21.030  -5.193
  251    H    TRP  34           HN       TRP  34   2.263  17.974  -7.788
  252    HA   TRP  34           HA       TRP  34   3.955  16.475  -6.004
  253    HB2  TRP  34           HB2      TRP  34   1.446  16.057  -6.624
  254    HB3  TRP  34           HB1      TRP  34   2.065  15.285  -8.071
  255    HD1  TRP  34           HD1      TRP  34   4.555  13.989  -5.973
  256    HE1  TRP  34           HE1      TRP  34   3.877  11.833  -4.748
  257    HE3  TRP  34           HE3      TRP  34  -0.527  14.276  -6.562
  258    HZ2  TRP  34           HZ2      TRP  34   1.526  10.418  -4.160
  259    HZ3  TRP  34           HZ3      TRP  34  -1.919  12.459  -5.657
  260    HH2  TRP  34           HH2      TRP  34  -0.909  10.569  -4.476
  261    H    ASP  35           HN       ASP  35   5.944  15.983  -6.548
  262    HA   ASP  35           HA       ASP  35   6.679  15.024  -9.253
  263    HB2  ASP  35           HB2      ASP  35   8.328  16.702  -7.293
  264    HB3  ASP  35           HB1      ASP  35   9.044  15.838  -8.656
  265    H    SER  36           HN       SER  36   8.797  13.596  -9.014
  266    HA   SER  36           HA       SER  36   8.441  11.381  -7.369
  267    HB2  SER  36           HB2      SER  36  11.151  12.373  -8.344
  268    HB3  SER  36           HB1      SER  36  10.662  10.705  -8.048
  269    H    LEU  37           HN       LEU  37  10.175  14.383  -6.811
  270    HA   LEU  37           HA       LEU  37  11.430  13.771  -4.351
  271    HB2  LEU  37           HB2      LEU  37  12.020  15.685  -5.847
  272    HB3  LEU  37           HB1      LEU  37  10.526  16.484  -5.407
  273    HG   LEU  37           HG       LEU  37  12.725  17.307  -4.312
  274   HD11  LEU  37          HD11      LEU  37  11.692  17.869  -2.183
  275   HD12  LEU  37          HD12      LEU  37  10.435  16.658  -2.444
  276   HD13  LEU  37          HD13      LEU  37  10.548  18.060  -3.509
  277   HD21  LEU  37          HD21      LEU  37  13.679  15.123  -3.739
  278   HD22  LEU  37          HD22      LEU  37  12.364  14.829  -2.598
  279   HD23  LEU  37          HD23      LEU  37  13.506  16.142  -2.309
  280    H    SER  38           HN       SER  38   8.249  15.174  -5.111
  281    HA   SER  38           HA       SER  38   7.427  15.644  -2.423
  282    HB2  SER  38           HB2      SER  38   5.629  15.150  -4.831
  283    HB3  SER  38           HB1      SER  38   5.217  16.021  -3.346
  284    HG   SER  38           HG       SER  38   6.896  17.531  -3.936
  285    H    HIS  39           HN       HIS  39   7.254  12.845  -4.568
  286    HA   HIS  39           HA       HIS  39   5.737  11.104  -2.949
  287    HB2  HIS  39           HB2      HIS  39   7.898  10.548  -5.010
  288    HB3  HIS  39           HB1      HIS  39   7.117   9.240  -4.127
  289    HD2  HIS  39           HD2      HIS  39   6.520  11.422  -7.198
  290    HE1  HIS  39           HE1      HIS  39   2.964   9.310  -6.366
  291    HE2  HIS  39           HE2      HIS  39   4.121  10.854  -8.000
  292    H    MET  40           HN       MET  40   9.276  11.752  -2.978
  293    HA   MET  40           HA       MET  40  10.068   9.898  -1.032
  294    HB2  MET  40           HB2      MET  40  11.235  12.662  -1.588
  295    HB3  MET  40           HB1      MET  40  12.020  11.432  -0.604
  296    HG2  MET  40           HG2      MET  40  11.374  11.198  -3.550
  297    HG3  MET  40           HG1      MET  40  12.969  11.464  -2.846
  298    HE1  MET  40           HE1      MET  40  14.312   9.619  -1.458
  299    HE2  MET  40           HE2      MET  40  13.630   8.060  -1.008
  300    HE3  MET  40           HE3      MET  40  12.967   9.537  -0.313
  301    H    ASN  41           HN       ASN  41   8.845  13.191  -0.655
  302    HA   ASN  41           HA       ASN  41   8.940  13.311   2.193
  303    HB2  ASN  41           HB2      ASN  41   7.344  14.923   0.161
  304    HB3  ASN  41           HB1      ASN  41   7.308  15.251   1.894
  305   HD21  ASN  41          HD21      ASN  41   9.218  15.450  -1.013
  306   HD22  ASN  41          HD22      ASN  41  10.479  16.421  -0.349
  307    H    LEU  42           HN       LEU  42   6.471  12.224  -0.112
  308    HA   LEU  42           HA       LEU  42   4.288  11.869   1.618
  309    HB2  LEU  42           HB2      LEU  42   4.972  11.089  -1.110
  310    HB3  LEU  42           HB1      LEU  42   4.227   9.722  -0.319
  311    HG   LEU  42           HG       LEU  42   2.553  10.986  -1.548
  312   HD11  LEU  42          HD11      LEU  42   0.922  11.401   0.222
  313   HD12  LEU  42          HD12      LEU  42   2.198  11.350   1.439
  314   HD13  LEU  42          HD13      LEU  42   1.815   9.906   0.497
  315   HD21  LEU  42          HD21      LEU  42   3.288  13.384   0.156
  316   HD22  LEU  42          HD22      LEU  42   1.981  13.298  -1.032
  317   HD23  LEU  42          HD23      LEU  42   3.659  13.175  -1.556
  318    H    ILE  43           HN       ILE  43   6.707   9.447   0.578
  319    HA   ILE  43           HA       ILE  43   5.713   7.288   2.060
  320    HB   ILE  43           HB       ILE  43   8.428   7.806   0.789
  321   HG12  ILE  43          HG12      ILE  43   7.789   5.843  -0.648
  322   HG13  ILE  43          HG11      ILE  43   6.264   5.723   0.220
  323   HG21  ILE  43          HG21      ILE  43   8.979   6.488   2.780
  324   HG22  ILE  43          HG22      ILE  43   9.159   5.496   1.334
  325   HG23  ILE  43          HG23      ILE  43   7.740   5.298   2.368
  326   HD11  ILE  43          HD11      ILE  43   5.994   6.763  -1.936
  327   HD12  ILE  43          HD12      ILE  43   7.164   8.008  -1.519
  328   HD13  ILE  43          HD13      ILE  43   5.626   7.917  -0.659
  329    H    VAL  44           HN       VAL  44   8.434   9.538   2.866
  330    HA   VAL  44           HA       VAL  44   9.122   8.283   5.285
  331    HB   VAL  44           HB       VAL  44  10.370  10.315   5.876
  332   HG11  VAL  44          HG11      VAL  44  11.900  10.371   3.941
  333   HG12  VAL  44          HG12      VAL  44  10.687   9.553   2.955
  334   HG13  VAL  44          HG13      VAL  44  11.413   8.723   4.336
  335   HG21  VAL  44          HG21      VAL  44  10.378  12.308   4.401
  336   HG22  VAL  44          HG22      VAL  44   8.792  12.054   5.132
  337   HG23  VAL  44          HG23      VAL  44   9.072  11.602   3.448
  338    H    SER  45           HN       SER  45   6.686  10.773   4.624
  339    HA   SER  45           HA       SER  45   5.998  11.346   7.332
  340    HB2  SER  45           HB2      SER  45   4.308  11.531   4.807
  341    HB3  SER  45           HB1      SER  45   3.867  12.228   6.366
  342    HG   SER  45           HG       SER  45   5.418  13.253   4.474
  343    H    LEU  46           HN       LEU  46   4.809   8.964   4.991
  344    HA   LEU  46           HA       LEU  46   2.709   7.888   6.585
  345    HB2  LEU  46           HB2      LEU  46   4.235   6.664   4.257
  346    HB3  LEU  46           HB1      LEU  46   2.731   6.037   4.915
  347    HG   LEU  46           HG       LEU  46   3.044   8.742   3.542
  348   HD11  LEU  46          HD11      LEU  46   3.274   6.908   1.934
  349   HD12  LEU  46          HD12      LEU  46   1.766   7.782   1.683
  350   HD13  LEU  46          HD13      LEU  46   1.748   6.210   2.488
  351   HD21  LEU  46          HD21      LEU  46   0.525   7.365   4.510
  352   HD22  LEU  46          HD22      LEU  46   0.613   8.892   3.625
  353   HD23  LEU  46          HD23      LEU  46   1.284   8.779   5.248
  354    H    GLU  47           HN       GLU  47   6.115   7.170   6.254
  355    HA   GLU  47           HA       GLU  47   6.284   4.708   7.646
  356    HB2  GLU  47           HB2      GLU  47   8.363   6.912   7.256
  357    HB3  GLU  47           HB1      GLU  47   8.725   5.314   7.915
  358    HG2  GLU  47           HG2      GLU  47   7.618   5.833   5.140
  359    HG3  GLU  47           HG1      GLU  47   9.328   5.643   5.502
  360    H    VAL  48           HN       VAL  48   6.983   8.069   8.706
  361    HA   VAL  48           HA       VAL  48   7.630   7.289  11.360
  362    HB   VAL  48           HB       VAL  48   7.797   9.689  11.877
  363   HG11  VAL  48          HG11      VAL  48   9.711   8.590  10.803
  364   HG12  VAL  48          HG12      VAL  48   9.598  10.269  10.279
  365   HG13  VAL  48          HG13      VAL  48   9.059   8.977   9.204
  366   HG21  VAL  48          HG21      VAL  48   6.718  10.212   9.078
  367   HG22  VAL  48          HG22      VAL  48   7.365  11.434  10.177
  368   HG23  VAL  48          HG23      VAL  48   5.883  10.573  10.594
  369    H    HIS  49           HN       HIS  49   4.670   8.672   9.943
  370    HA   HIS  49           HA       HIS  49   3.347   9.094  12.425
  371    HB2  HIS  49           HB2      HIS  49   2.376   9.074   9.554
  372    HB3  HIS  49           HB1      HIS  49   1.241   9.247  10.887
  373    HD1  HIS  49           HD1      HIS  49   1.551  11.405  12.410
  374    HD2  HIS  49           HD2      HIS  49   3.695  11.410   8.858
  375    HE1  HIS  49           HE1      HIS  49   2.244  13.789  12.047
  376    HE2  HIS  49           HE2      HIS  49   3.767  13.691  10.047
  377    H    TYR  50           HN       TYR  50   2.940   6.510   9.957
  378    HA   TYR  50           HA       TYR  50   0.947   5.184  11.642
  379    HB2  TYR  50           HB2      TYR  50   2.009   4.451   8.886
  380    HB3  TYR  50           HB1      TYR  50   0.684   3.635   9.707
  381    HD1  TYR  50           HD2      TYR  50   1.713   6.825   8.095
  382    HD2  TYR  50           HD1      TYR  50  -1.565   4.589   9.687
  383    HE1  TYR  50           HE2      TYR  50   0.132   8.430   7.117
  384    HE2  TYR  50           HE1      TYR  50  -3.138   6.206   8.714
  385    HH   TYR  50           HH       TYR  50  -2.200   8.530   6.418
  386    H    LYS  51           HN       LYS  51   4.323   5.018  11.208
  387    HA   LYS  51           HA       LYS  51   5.991   3.554  11.520
  388    HB2  LYS  51           HB2      LYS  51   4.134   2.577  13.713
  389    HB3  LYS  51           HB1      LYS  51   5.751   1.925  13.498
  390    HG2  LYS  51           HG2      LYS  51   5.905   3.541  15.236
  391    HG3  LYS  51           HG1      LYS  51   6.655   4.259  13.816
  392    HD2  LYS  51           HD2      LYS  51   5.386   6.007  14.803
  393    HD3  LYS  51           HD1      LYS  51   4.434   5.483  13.416
  394    HE2  LYS  51           HE2      LYS  51   3.923   4.667  16.303
  395    HE3  LYS  51           HE1      LYS  51   3.046   5.920  15.434
  396    HZ1  LYS  51           HZ1      LYS  51   1.818   3.859  15.503
  397    HZ2  LYS  51           HZ2      LYS  51   3.078   3.037  14.733
  398    HZ3  LYS  51           HZ3      LYS  51   2.230   4.243  13.911
  399    H    ILE  52           HN       ILE  52   4.708   2.989   9.330
  400    HA   ILE  52           HA       ILE  52   4.560   0.028   9.196
  401    HB   ILE  52           HB       ILE  52   3.058   0.256   7.218
  402   HG12  ILE  52          HG12      ILE  52   3.065   3.246   7.879
  403   HG13  ILE  52          HG11      ILE  52   3.647   2.498   6.396
  404   HG21  ILE  52          HG21      ILE  52   1.945   1.624   9.702
  405   HG22  ILE  52          HG22      ILE  52   2.092  -0.117   9.468
  406   HG23  ILE  52          HG23      ILE  52   0.994   0.813   8.450
  407   HD11  ILE  52          HD11      ILE  52   0.775   2.607   7.331
  408   HD12  ILE  52          HD12      ILE  52   1.340   1.807   5.862
  409   HD13  ILE  52          HD13      ILE  52   1.502   3.554   6.035
  410    H    LYS  53           HN       LYS  53   4.833  -0.375   6.547
  411    HA   LYS  53           HA       LYS  53   7.522   0.712   5.921
  412    HB2  LYS  53           HB2      LYS  53   7.826  -1.449   6.974
  413    HB3  LYS  53           HB1      LYS  53   6.571  -2.192   5.994
  414    HG2  LYS  53           HG2      LYS  53   9.007  -1.072   4.608
  415    HG3  LYS  53           HG1      LYS  53   9.177  -2.583   5.509
  416    HD2  LYS  53           HD2      LYS  53   7.423  -3.630   4.132
  417    HD3  LYS  53           HD1      LYS  53   7.146  -2.108   3.284
  418    HE2  LYS  53           HE2      LYS  53   9.449  -2.207   2.380
  419    HE3  LYS  53           HE1      LYS  53   9.695  -3.754   3.199
  420    HZ1  LYS  53           HZ1      LYS  53   9.107  -4.067   0.887
  421    HZ2  LYS  53           HZ2      LYS  53   7.670  -3.197   1.097
  422    HZ3  LYS  53           HZ3      LYS  53   7.885  -4.678   1.880
  423    H    PHE  54           HN       PHE  54   7.459   1.690   3.955
  424    HA   PHE  54           HA       PHE  54   5.998   0.337   1.739
  425    HB2  PHE  54           HB2      PHE  54   6.802   3.287   1.937
  426    HB3  PHE  54           HB1      PHE  54   6.105   2.528   0.515
  427    HD1  PHE  54           HD1      PHE  54   5.408   3.696   3.936
  428    HD2  PHE  54           HD2      PHE  54   3.706   1.981   0.405
  429    HE1  PHE  54           HE1      PHE  54   3.163   4.205   4.758
  430    HE2  PHE  54           HE2      PHE  54   1.456   2.530   1.251
  431    HZ   PHE  54           HZ       PHE  54   1.190   3.636   3.422
  432    H    ALA  55           HN       ALA  55   7.239  -0.527   0.210
  433    HA   ALA  55           HA       ALA  55  10.088   0.209  -0.054
  434    HB1  ALA  55           HB1      ALA  55  10.253  -1.778  -1.521
  435    HB2  ALA  55           HB2      ALA  55   8.525  -2.084  -1.317
  436    HB3  ALA  55           HB3      ALA  55   9.614  -2.214   0.067
  437    H    LEU  56           HN       LEU  56  10.788   1.213  -1.925
  438    HA   LEU  56           HA       LEU  56   8.975   2.869  -3.380
  439    HB2  LEU  56           HB2      LEU  56  11.381   3.411  -2.929
  440    HB3  LEU  56           HB1      LEU  56  11.884   2.143  -4.016
  441    HG   LEU  56           HG       LEU  56  12.032   4.610  -4.821
  442   HD11  LEU  56          HD11      LEU  56  10.706   2.613  -6.661
  443   HD12  LEU  56          HD12      LEU  56  12.433   2.760  -6.340
  444   HD13  LEU  56          HD13      LEU  56  11.582   4.067  -7.159
  445   HD21  LEU  56          HD21      LEU  56  10.061   5.595  -5.852
  446   HD22  LEU  56          HD22      LEU  56   9.777   5.319  -4.135
  447   HD23  LEU  56          HD23      LEU  56   9.067   4.230  -5.330
  448    H    GLY  57           HN       GLY  57  10.302  -0.340  -4.007
  449    HA2  GLY  57           HA2      GLY  57   9.465  -0.796  -6.654
  450    HA3  GLY  57           HA1      GLY  57   9.626  -2.022  -5.408
  451    H    GLU  58           HN       GLU  58   7.649  -1.110  -3.586
  452    HA   GLU  58           HA       GLU  58   5.178  -2.009  -4.692
  453    HB2  GLU  58           HB2      GLU  58   5.629  -0.441  -2.102
  454    HB3  GLU  58           HB1      GLU  58   4.137  -1.275  -2.546
  455    HG2  GLU  58           HG2      GLU  58   5.391  -3.427  -2.557
  456    HG3  GLU  58           HG1      GLU  58   6.830  -2.563  -2.015
  457    H    LEU  59           HN       LEU  59   6.573   1.185  -4.127
  458    HA   LEU  59           HA       LEU  59   4.285   2.762  -4.693
  459    HB2  LEU  59           HB2      LEU  59   7.251   3.353  -4.649
  460    HB3  LEU  59           HB1      LEU  59   6.145   4.564  -5.262
  461    HG   LEU  59           HG       LEU  59   6.701   5.054  -2.952
  462   HD11  LEU  59          HD11      LEU  59   3.846   4.088  -3.175
  463   HD12  LEU  59          HD12      LEU  59   4.472   5.659  -3.677
  464   HD13  LEU  59          HD13      LEU  59   4.475   5.217  -1.972
  465   HD21  LEU  59          HD21      LEU  59   7.272   2.837  -2.131
  466   HD22  LEU  59          HD22      LEU  59   5.582   2.339  -2.212
  467   HD23  LEU  59          HD23      LEU  59   6.082   3.599  -1.078
  468    H    GLN  60           HN       GLN  60   6.733   1.306  -6.772
  469    HA   GLN  60           HA       GLN  60   6.111   2.612  -9.193
  470    HB2  GLN  60           HB2      GLN  60   7.058  -0.265  -8.858
  471    HB3  GLN  60           HB1      GLN  60   7.182   0.704 -10.323
  472    HG2  GLN  60           HG2      GLN  60   8.689   1.087  -7.723
  473    HG3  GLN  60           HG1      GLN  60   9.343   0.587  -9.279
  474   HE21  GLN  60          HE21      GLN  60   8.228   3.280  -7.365
  475   HE22  GLN  60          HE22      GLN  60   8.796   4.529  -8.415
  476    H    LYS  61           HN       LYS  61   4.489   0.067  -7.457
  477    HA   LYS  61           HA       LYS  61   2.755  -0.780  -9.634
  478    HB2  LYS  61           HB2      LYS  61   2.352  -1.403  -6.672
  479    HB3  LYS  61           HB1      LYS  61   1.800  -2.335  -8.064
  480    HG2  LYS  61           HG2      LYS  61   4.672  -2.013  -7.134
  481    HG3  LYS  61           HG1      LYS  61   3.659  -3.445  -6.919
  482    HD2  LYS  61           HD2      LYS  61   3.594  -3.758  -9.382
  483    HD3  LYS  61           HD1      LYS  61   4.581  -2.308  -9.596
  484    HE2  LYS  61           HE2      LYS  61   5.941  -4.351  -9.771
  485    HE3  LYS  61           HE1      LYS  61   6.436  -3.373  -8.389
  486    HZ1  LYS  61           HZ1      LYS  61   5.186  -4.846  -6.945
  487    HZ2  LYS  61           HZ2      LYS  61   6.325  -5.714  -7.835
  488    HZ3  LYS  61           HZ3      LYS  61   4.693  -5.779  -8.266
  489    H    LEU  62           HN       LEU  62   2.795   1.792  -7.371
  490    HA   LEU  62           HA       LEU  62  -0.116   2.005  -7.108
  491    HB2  LEU  62           HB2      LEU  62   2.033   3.747  -5.832
  492    HB3  LEU  62           HB1      LEU  62   0.319   3.720  -5.428
  493    HG   LEU  62           HG       LEU  62   2.394   1.576  -4.855
  494   HD11  LEU  62          HD11      LEU  62   1.795   1.926  -2.512
  495   HD12  LEU  62          HD12      LEU  62   0.628   3.168  -2.976
  496   HD13  LEU  62          HD13      LEU  62   2.352   3.421  -3.258
  497   HD21  LEU  62          HD21      LEU  62   0.381   0.412  -5.597
  498   HD22  LEU  62          HD22      LEU  62  -0.604   1.323  -4.448
  499   HD23  LEU  62          HD23      LEU  62   0.620   0.190  -3.866
  500    H    LYS  63           HN       LYS  63  -1.066   2.950  -8.778
  501    HA   LYS  63           HA       LYS  63   0.226   4.929 -10.455
  502    HB2  LYS  63           HB2      LYS  63  -1.168   3.136 -11.437
  503    HB3  LYS  63           HB1      LYS  63  -2.576   3.732 -10.559
  504    HG2  LYS  63           HG2      LYS  63  -2.394   5.885 -11.842
  505    HG3  LYS  63           HG1      LYS  63  -1.068   5.173 -12.774
  506    HD2  LYS  63           HD2      LYS  63  -2.598   3.419 -13.610
  507    HD3  LYS  63           HD1      LYS  63  -3.918   4.102 -12.653
  508    HE2  LYS  63           HE2      LYS  63  -3.735   6.215 -13.962
  509    HE3  LYS  63           HE1      LYS  63  -2.464   5.480 -14.939
  510    HZ1  LYS  63           HZ1      LYS  63  -4.629   5.391 -16.010
  511    HZ2  LYS  63           HZ2      LYS  63  -5.243   4.477 -14.727
  512    HZ3  LYS  63           HZ3      LYS  63  -4.023   3.845 -15.709
  513    H    ASN  64           HN       ASN  64  -2.111   4.924  -7.810
  514    HA   ASN  64           HA       ASN  64  -2.160   7.817  -7.711
  515    HB2  ASN  64           HB2      ASN  64  -4.691   7.959  -7.969
  516    HB3  ASN  64           HB1      ASN  64  -3.819   7.582  -9.447
  517   HD21  ASN  64          HD21      ASN  64  -5.490   6.595 -10.487
  518   HD22  ASN  64          HD22      ASN  64  -6.188   5.097  -9.988
  519    H    VAL  65           HN       VAL  65  -4.192   8.383  -6.079
  520    HA   VAL  65           HA       VAL  65  -3.357   7.376  -3.534
  521    HB   VAL  65           HB       VAL  65  -5.672   9.270  -4.170
  522   HG11  VAL  65          HG11      VAL  65  -4.256   8.806  -1.508
  523   HG12  VAL  65          HG12      VAL  65  -5.901   8.315  -1.901
  524   HG13  VAL  65          HG13      VAL  65  -5.499  10.029  -1.813
  525   HG21  VAL  65          HG21      VAL  65  -2.822   9.954  -3.343
  526   HG22  VAL  65          HG22      VAL  65  -4.130  11.107  -3.627
  527   HG23  VAL  65          HG23      VAL  65  -3.494  10.149  -4.962
  528    H    GLY  66           HN       GLY  66  -5.736   6.376  -5.804
  529    HA2  GLY  66           HA2      GLY  66  -7.427   4.860  -4.030
  530    HA3  GLY  66           HA1      GLY  66  -7.275   4.662  -5.776
  531    H    ASP  67           HN       ASP  67  -4.498   4.206  -5.941
  532    HA   ASP  67           HA       ASP  67  -4.188   1.481  -5.141
  533    HB2  ASP  67           HB2      ASP  67  -2.224   3.534  -6.232
  534    HB3  ASP  67           HB1      ASP  67  -1.757   1.874  -5.863
  535    H    LEU  68           HN       LEU  68  -3.017   4.602  -3.841
  536    HA   LEU  68           HA       LEU  68  -1.638   3.550  -1.594
  537    HB2  LEU  68           HB2      LEU  68  -2.800   6.253  -2.248
  538    HB3  LEU  68           HB1      LEU  68  -2.400   5.939  -0.580
  539    HG   LEU  68           HG       LEU  68  -0.595   7.159  -1.602
  540   HD11  LEU  68          HD11      LEU  68   0.246   4.286  -1.137
  541   HD12  LEU  68          HD12      LEU  68   0.037   5.532   0.096
  542   HD13  LEU  68          HD13      LEU  68   1.310   5.697  -1.112
  543   HD21  LEU  68          HD21      LEU  68  -0.950   6.581  -3.954
  544   HD22  LEU  68          HD22      LEU  68  -0.369   4.940  -3.661
  545   HD23  LEU  68          HD23      LEU  68   0.730   6.311  -3.490
  546    H    ALA  69           HN       ALA  69  -5.063   4.199  -2.205
  547    HA   ALA  69           HA       ALA  69  -6.011   3.961   0.444
  548    HB1  ALA  69           HB1      ALA  69  -8.223   3.499  -0.540
  549    HB2  ALA  69           HB2      ALA  69  -7.477   3.252  -2.122
  550    HB3  ALA  69           HB3      ALA  69  -7.432   4.846  -1.365
  551    H    ASP  70           HN       ASP  70  -5.652   1.548  -2.164
  552    HA   ASP  70           HA       ASP  70  -6.288  -0.779  -0.723
  553    HB2  ASP  70           HB2      ASP  70  -4.234  -0.495  -2.967
  554    HB3  ASP  70           HB1      ASP  70  -4.899  -2.020  -2.388
  555    H    LEU  71           HN       LEU  71  -3.116   0.759  -1.273
  556    HA   LEU  71           HA       LEU  71  -1.618  -1.374  -0.173
  557    HB2  LEU  71           HB2      LEU  71  -1.026   0.460  -1.984
  558    HB3  LEU  71           HB1      LEU  71  -0.466   1.395  -0.618
  559    HG   LEU  71           HG       LEU  71   1.330   0.170  -1.891
  560   HD11  LEU  71          HD11      LEU  71   1.767   0.882   0.363
  561   HD12  LEU  71          HD12      LEU  71   2.578  -0.640   0.023
  562   HD13  LEU  71          HD13      LEU  71   1.109  -0.620   1.008
  563   HD21  LEU  71          HD21      LEU  71   0.131  -1.884  -2.435
  564   HD22  LEU  71          HD22      LEU  71   0.108  -2.347  -0.730
  565   HD23  LEU  71          HD23      LEU  71   1.644  -2.230  -1.596
  566    H    VAL  72           HN       VAL  72  -2.242   1.941   1.090
  567    HA   VAL  72           HA       VAL  72  -0.998   1.659   3.583
  568    HB   VAL  72           HB       VAL  72  -3.395   3.413   2.874
  569   HG11  VAL  72          HG11      VAL  72  -2.732   4.814   4.832
  570   HG12  VAL  72          HG12      VAL  72  -1.503   3.620   5.263
  571   HG13  VAL  72          HG13      VAL  72  -3.215   3.191   5.319
  572   HG21  VAL  72          HG21      VAL  72  -0.429   4.109   2.900
  573   HG22  VAL  72          HG22      VAL  72  -1.742   5.237   2.554
  574   HG23  VAL  72          HG23      VAL  72  -1.427   3.890   1.461
  575    H    ASP  73           HN       ASP  73  -4.339   0.826   2.549
  576    HA   ASP  73           HA       ASP  73  -5.293   0.049   5.136
  577    HB2  ASP  73           HB2      ASP  73  -6.803   0.556   3.193
  578    HB3  ASP  73           HB1      ASP  73  -6.275  -0.927   2.416
  579    H    LYS  74           HN       LYS  74  -3.503  -1.609   2.634
  580    HA   LYS  74           HA       LYS  74  -3.752  -4.287   3.570
  581    HB2  LYS  74           HB2      LYS  74  -1.399  -3.089   2.033
  582    HB3  LYS  74           HB1      LYS  74  -1.678  -4.805   2.291
  583    HG2  LYS  74           HG2      LYS  74  -3.269  -2.906   0.568
  584    HG3  LYS  74           HG1      LYS  74  -2.342  -4.315   0.061
  585    HD2  LYS  74           HD2      LYS  74  -3.982  -5.805   1.136
  586    HD3  LYS  74           HD1      LYS  74  -4.874  -4.411   1.755
  587    HE2  LYS  74           HE2      LYS  74  -5.315  -3.708  -0.620
  588    HE3  LYS  74           HE1      LYS  74  -4.545  -5.204  -1.163
  589    HZ1  LYS  74           HZ1      LYS  74  -6.933  -5.029   0.591
  590    HZ2  LYS  74           HZ2      LYS  74  -6.216  -6.452   0.031
  591    HZ3  LYS  74           HZ3      LYS  74  -6.951  -5.396  -1.059
  592    H    LYS  75           HN       LYS  75  -1.452  -1.691   4.282
  593    HA   LYS  75           HA       LYS  75   0.292  -3.206   5.967
  594    HB2  LYS  75           HB2      LYS  75  -0.154  -0.174   5.951
  595    HB3  LYS  75           HB1      LYS  75   1.246  -1.018   6.614
  596    HG2  LYS  75           HG2      LYS  75   0.467  -0.913   3.683
  597    HG3  LYS  75           HG1      LYS  75   1.717   0.072   4.451
  598    HD2  LYS  75           HD2      LYS  75   3.041  -1.930   4.944
  599    HD3  LYS  75           HD1      LYS  75   1.767  -2.975   4.296
  600    HE2  LYS  75           HE2      LYS  75   2.119  -2.083   2.057
  601    HE3  LYS  75           HE1      LYS  75   3.250  -0.880   2.674
  602    HZ1  LYS  75           HZ1      LYS  75   3.675  -3.808   2.761
  603    HZ2  LYS  75           HZ2      LYS  75   4.759  -2.619   3.272
  604    HZ3  LYS  75           HZ3      LYS  75   4.359  -2.747   1.637
  605    H    LEU  76           HN       LEU  76  -2.399  -0.960   6.588
  606    HA   LEU  76           HA       LEU  76  -2.291  -1.066   9.434
  607    HB2  LEU  76           HB2      LEU  76  -4.551  -0.229   7.578
  608    HB3  LEU  76           HB1      LEU  76  -4.543   0.031   9.317
  609    HG   LEU  76           HG       LEU  76  -2.637   1.308   7.308
  610   HD11  LEU  76          HD11      LEU  76  -4.890   2.267   7.210
  611   HD12  LEU  76          HD12      LEU  76  -3.742   3.420   7.889
  612   HD13  LEU  76          HD13      LEU  76  -4.860   2.560   8.952
  613   HD21  LEU  76          HD21      LEU  76  -1.457   0.893   9.424
  614   HD22  LEU  76          HD22      LEU  76  -2.742   1.704  10.323
  615   HD23  LEU  76          HD23      LEU  76  -1.738   2.619   9.194
  616    H    ALA  77           HN       ALA  77  -3.855  -3.064   7.005
  617    HA   ALA  77           HA       ALA  77  -5.481  -4.646   8.723
  618    HB1  ALA  77           HB1      ALA  77  -5.521  -6.285   6.884
  619    HB2  ALA  77           HB2      ALA  77  -4.187  -5.438   6.091
  620    HB3  ALA  77           HB3      ALA  77  -5.753  -4.646   6.269
  621    H    ARG  78           HN       ARG  78  -2.101  -4.921   7.658
  622    HA   ARG  78           HA       ARG  78  -1.563  -7.430   8.971
  623    HB2  ARG  78           HB2      ARG  78   0.422  -5.347   7.940
  624    HB3  ARG  78           HB1      ARG  78   0.814  -7.005   8.397
  625    HG2  ARG  78           HG2      ARG  78  -0.939  -6.143   6.081
  626    HG3  ARG  78           HG1      ARG  78   0.694  -6.799   5.967
  627    HD2  ARG  78           HD2      ARG  78  -0.066  -8.947   6.790
  628    HD3  ARG  78           HD1      ARG  78  -1.672  -8.295   7.128
  629    HE   ARG  78           HE       ARG  78  -1.246  -7.869   4.438
  630   HH11  ARG  78          HH11      ARG  78  -1.386 -10.706   6.492
  631   HH12  ARG  78          HH12      ARG  78  -2.055 -11.713   5.245
  632   HH21  ARG  78          HH21      ARG  78  -2.147  -9.187   2.826
  633   HH22  ARG  78          HH22      ARG  78  -2.501 -10.847   3.176
  634    H    LYS  79           HN       LYS  79  -1.446  -4.086   9.892
  635    HA   LYS  79           HA       LYS  79   0.238  -4.495  12.255
  636    HB2  LYS  79           HB2      LYS  79  -1.165  -2.003  11.170
  637    HB3  LYS  79           HB1      LYS  79  -0.256  -2.020  12.681
  638    HG2  LYS  79           HG2      LYS  79   0.895  -2.634   9.940
  639    HG3  LYS  79           HG1      LYS  79   1.026  -1.085  10.776
  640    HD2  LYS  79           HD2      LYS  79   2.278  -2.207  12.620
  641    HD3  LYS  79           HD1      LYS  79   2.169  -3.736  11.742
  642    HE2  LYS  79           HE2      LYS  79   3.497  -2.767   9.894
  643    HE3  LYS  79           HE1      LYS  79   3.583  -1.229  10.763
  644    HZ1  LYS  79           HZ1      LYS  79   5.576  -2.508  11.076
  645    HZ2  LYS  79           HZ2      LYS  79   4.701  -3.819  11.680
  646    HZ3  LYS  79           HZ3      LYS  79   4.756  -2.369  12.546
  647    H    LEU  80           HN       LEU  80  -2.932  -3.009  11.697
  648    HA   LEU  80           HA       LEU  80  -4.673  -2.548  12.978
  649    HB2  LEU  80           HB2      LEU  80  -4.866  -5.104  12.470
  650    HB3  LEU  80           HB1      LEU  80  -4.477  -5.341  14.162
  651    HG   LEU  80           HG       LEU  80  -6.940  -5.460  13.568
  652   HD11  LEU  80          HD11      LEU  80  -7.782  -4.214  15.502
  653   HD12  LEU  80          HD12      LEU  80  -6.253  -3.340  15.619
  654   HD13  LEU  80          HD13      LEU  80  -6.296  -5.082  15.892
  655   HD21  LEU  80          HD21      LEU  80  -6.709  -2.467  13.145
  656   HD22  LEU  80          HD22      LEU  80  -8.204  -3.406  13.163
  657   HD23  LEU  80          HD23      LEU  80  -7.013  -3.673  11.891
  658    H    GLU  81           HN       GLU  81  -3.135  -4.712  15.377
  659    HA   GLU  81           HA       GLU  81  -2.509  -4.490  17.524
  660    HB2  GLU  81           HB2      GLU  81  -1.912  -1.575  16.843
  661    HB3  GLU  81           HB1      GLU  81  -1.283  -2.464  18.228
  662    HG2  GLU  81           HG2      GLU  81  -0.668  -3.068  15.311
  663    HG3  GLU  81           HG1      GLU  81   0.391  -2.183  16.406
  664    H    HIS  82           HN       HIS  82  -3.679  -1.162  17.239
  665    HA   HIS  82           HA       HIS  82  -5.979  -1.727  19.000
  666    HB2  HIS  82           HB2      HIS  82  -4.528   0.887  18.364
  667    HB3  HIS  82           HB1      HIS  82  -5.996   0.783  19.334
  668    HD1  HIS  82           HD1      HIS  82  -2.335   0.383  19.519
  669    HD2  HIS  82           HD2      HIS  82  -5.632  -0.495  21.890
  670    HE1  HIS  82           HE1      HIS  82  -1.403  -0.134  21.790
  671    HE2  HIS  82           HE2      HIS  82  -3.403  -0.803  23.166
  672    H    HIS  83           HN       HIS  83  -7.874  -0.208  18.460
  673    HA   HIS  83           HA       HIS  83  -8.793  -0.872  15.832
  674    HB2  HIS  83           HB2      HIS  83 -10.146   0.863  17.949
  675    HB3  HIS  83           HB1      HIS  83 -10.923   0.171  16.523
  676    HD1  HIS  83           HD1      HIS  83 -11.278  -0.367  19.790
  677    HD2  HIS  83           HD2      HIS  83  -9.896  -2.939  16.836
  678    HE1  HIS  83           HE1      HIS  83 -11.622  -2.676  20.705
  679    HE2  HIS  83           HE2      HIS  83 -10.938  -4.218  18.830
  680    H    HIS  84           HN       HIS  84  -7.382   1.982  17.300
  681    HA   HIS  84           HA       HIS  84  -6.779   4.040  16.562
  682    HB2  HIS  84           HB2      HIS  84  -5.710   2.805  14.723
  683    HB3  HIS  84           HB1      HIS  84  -7.216   2.748  13.831
  684    HD1  HIS  84           HD1      HIS  84  -7.471   4.467  12.084
  685    HD2  HIS  84           HD2      HIS  84  -4.664   5.596  14.935
  686    HE1  HIS  84           HE1      HIS  84  -6.426   6.565  11.198
  687    HE2  HIS  84           HE2      HIS  84  -4.883   7.326  13.030
  688    H    HIS  85           HN       HIS  85  -9.432   3.392  17.303
  689    HA   HIS  85           HA       HIS  85 -11.492   4.156  17.571
  690    HB2  HIS  85           HB2      HIS  85 -10.458   6.460  17.402
  691    HB3  HIS  85           HB1      HIS  85 -10.893   6.478  15.697
  692    HD1  HIS  85           HD1      HIS  85 -12.627   8.349  15.815
  693    HD2  HIS  85           HD2      HIS  85 -13.375   5.295  18.533
  694    HE1  HIS  85           HE1      HIS  85 -14.862   8.873  16.826
  695    HE2  HIS  85           HE2      HIS  85 -15.198   7.119  18.590
  696    H    HIS  86           HN       HIS  86 -10.685   4.655  14.094
  697    HA   HIS  86           HA       HIS  86 -11.247   3.541  12.223
  698    HB2  HIS  86           HB2      HIS  86 -10.881   1.480  13.609
  699    HB3  HIS  86           HB1      HIS  86 -12.582   1.484  14.049
  700    HD1  HIS  86           HD1      HIS  86 -14.222   0.521  12.354
  701    HD2  HIS  86           HD2      HIS  86 -10.318   0.683  10.942
  702    HE1  HIS  86           HE1      HIS  86 -14.218  -0.833  10.242
  703    HE2  HIS  86           HE2      HIS  86 -11.838  -0.767   9.431
  704    H    HIS  87           HN       HIS  87 -12.576   5.206  11.459
  705    HA   HIS  87           HA       HIS  87 -15.421   5.249  12.018
  706    HB2  HIS  87           HB2      HIS  87 -15.556   7.068  10.345
  707    HB3  HIS  87           HB1      HIS  87 -14.301   7.380  11.526
  708    HD1  HIS  87           HD1      HIS  87 -11.847   7.415  10.692
  709    HD2  HIS  87           HD2      HIS  87 -14.651   6.778   7.688
  710    HE1  HIS  87           HE1      HIS  87 -10.611   7.719   8.528
  711    HE2  HIS  87           HE2      HIS  87 -12.371   7.531   6.743
  712   H282  PNS  88          H282      PNS  88   7.054  11.270 -10.209
  713   H281  PNS  88          H281      PNS  88   7.475  10.890 -11.884
  714   H303  PNS  88          H303      PNS  88   4.671  11.290 -10.523
  715   H302  PNS  88          H302      PNS  88   4.789  10.992 -12.259
  716   H301  PNS  88          H301      PNS  88   3.790   9.936 -11.249
  717   H313  PNS  88          H313      PNS  88   5.560   9.539  -8.903
  718   H312  PNS  88          H312      PNS  88   4.819   8.202  -9.786
  719   H311  PNS  88          H311      PNS  88   6.561   8.208  -9.490
  720    H32  PNS  88           H32      PNS  88   6.117   9.107 -13.179
  721    H33  PNS  88           H33      PNS  88   7.148   6.884 -12.262
  722    H36  PNS  88           H36      PNS  88   3.663   8.967 -12.989
  723   H372  PNS  88          H372      PNS  88   1.757   7.811 -13.370
  724   H371  PNS  88          H371      PNS  88   2.716   6.325 -13.415
  725   H382  PNS  88          H382      PNS  88   1.106   6.247 -11.576
  726   H381  PNS  88          H381      PNS  88   2.760   6.267 -10.977
  727    H41  PNS  88           H41      PNS  88   1.601   6.804  -8.971
  728   H422  PNS  88          H422      PNS  88   2.002   9.324  -8.016
  729   H421  PNS  88          H421      PNS  88   0.331   9.364  -8.590
  730   H431  PNS  88          H431      PNS  88  -0.187   7.421  -7.147
  731   H432  PNS  88          H432      PNS  88   0.388   8.796  -6.208
  732    H44  PNS  88           H44      PNS  88   2.610   7.728  -5.313
  Start of MODEL    4
    1    H1   MET   1           HT1      MET   1 -12.153   0.531   7.178
    2    H2   MET   1           HT2      MET   1 -13.223   1.598   6.422
    3    H3   MET   1           HT3      MET   1 -12.468   2.036   7.867
    4    HA   MET   1           HA       MET   1 -10.356   2.066   6.878
    5    HB2  MET   1           HB2      MET   1 -10.087   1.774   4.401
    6    HB3  MET   1           HB1      MET   1 -10.545   0.301   5.242
    7    HG2  MET   1           HG2      MET   1 -12.396   2.052   3.602
    8    HG3  MET   1           HG1      MET   1 -11.697   0.514   3.092
    9    HE1  MET   1           HE1      MET   1 -14.271  -0.270   2.470
   10    HE2  MET   1           HE2      MET   1 -14.891   1.266   3.082
   11    HE3  MET   1           HE3      MET   1 -15.574  -0.252   3.662
   12    HA   PRO   2           HA       PRO   2 -11.902   6.279   5.874
   13    HB2  PRO   2           HB2      PRO   2 -10.913   7.604   7.954
   14    HB3  PRO   2           HB1      PRO   2 -12.250   6.474   8.224
   15    HG2  PRO   2           HG2      PRO   2  -9.311   6.100   8.794
   16    HG3  PRO   2           HG1      PRO   2 -10.710   5.587   9.758
   17    HD2  PRO   2           HD2      PRO   2  -9.271   3.974   7.892
   18    HD3  PRO   2           HD1      PRO   2 -10.831   3.573   8.644
   19    H    THR   3           HN       THR   3  -9.678   4.868   4.664
   20    HA   THR   3           HA       THR   3  -7.151   5.719   5.515
   21    HB   THR   3           HB       THR   3  -7.684   4.546   2.762
   22    HG1  THR   3           HG1      THR   3  -7.506   3.119   5.232
   23   HG21  THR   3          HG21      THR   3  -5.519   3.408   3.155
   24   HG22  THR   3          HG22      THR   3  -5.380   4.193   4.729
   25   HG23  THR   3          HG23      THR   3  -5.332   5.161   3.252
   26    H    LEU   4           HN       LEU   4  -9.034   6.718   2.598
   27    HA   LEU   4           HA       LEU   4  -7.105   8.357   1.382
   28    HB2  LEU   4           HB2      LEU   4 -10.141   8.549   1.321
   29    HB3  LEU   4           HB1      LEU   4  -9.085   9.480   0.270
   30    HG   LEU   4           HG       LEU   4  -9.269   6.435   0.265
   31   HD11  LEU   4          HD11      LEU   4 -10.478   6.694  -1.858
   32   HD12  LEU   4          HD12      LEU   4 -10.450   8.452  -1.667
   33   HD13  LEU   4          HD13      LEU   4 -11.351   7.449  -0.523
   34   HD21  LEU   4          HD21      LEU   4  -7.973   6.581  -1.837
   35   HD22  LEU   4          HD22      LEU   4  -7.065   7.247  -0.482
   36   HD23  LEU   4          HD23      LEU   4  -7.837   8.333  -1.642
   37    H    ASP   5           HN       ASP   5  -9.772   9.267   3.598
   38    HA   ASP   5           HA       ASP   5  -9.092  12.061   3.569
   39    HB2  ASP   5           HB2      ASP   5 -10.891  12.346   5.230
   40    HB3  ASP   5           HB1      ASP   5 -11.423  11.401   3.849
   41    H    ALA   6           HN       ALA   6  -8.314   9.354   5.704
   42    HA   ALA   6           HA       ALA   6  -7.121  10.856   7.813
   43    HB1  ALA   6           HB1      ALA   6  -6.099   8.711   8.483
   44    HB2  ALA   6           HB2      ALA   6  -6.569   7.993   6.937
   45    HB3  ALA   6           HB3      ALA   6  -7.807   8.499   8.089
   46    H    LEU   7           HN       LEU   7  -5.952   9.604   4.731
   47    HA   LEU   7           HA       LEU   7  -3.181  10.256   5.079
   48    HB2  LEU   7           HB2      LEU   7  -4.852   9.670   2.602
   49    HB3  LEU   7           HB1      LEU   7  -3.134  10.008   2.523
   50    HG   LEU   7           HG       LEU   7  -4.356   7.622   3.976
   51   HD11  LEU   7          HD11      LEU   7  -2.951   7.720   1.277
   52   HD12  LEU   7          HD12      LEU   7  -4.671   7.424   1.548
   53   HD13  LEU   7          HD13      LEU   7  -3.482   6.259   2.120
   54   HD21  LEU   7          HD21      LEU   7  -2.230   8.328   4.973
   55   HD22  LEU   7          HD22      LEU   7  -1.448   8.284   3.389
   56   HD23  LEU   7          HD23      LEU   7  -2.044   6.792   4.128
   57    H    THR   8           HN       THR   8  -6.067  12.057   4.121
   58    HA   THR   8           HA       THR   8  -4.980  13.919   2.368
   59    HB   THR   8           HB       THR   8  -7.327  14.425   4.231
   60    HG1  THR   8           HG1      THR   8  -7.051  12.622   2.340
   61   HG21  THR   8          HG21      THR   8  -6.613  15.710   1.564
   62   HG22  THR   8          HG22      THR   8  -6.544  16.508   3.139
   63   HG23  THR   8          HG23      THR   8  -8.097  15.990   2.478
   64    HA   PRO   9           HA       PRO   9  -3.982  17.040   6.086
   65    HB2  PRO   9           HB2      PRO   9  -3.405  15.837   8.530
   66    HB3  PRO   9           HB1      PRO   9  -4.972  16.547   8.119
   67    HG2  PRO   9           HG2      PRO   9  -4.108  13.663   7.978
   68    HG3  PRO   9           HG1      PRO   9  -5.616  14.352   8.619
   69    HD2  PRO   9           HD2      PRO   9  -5.559  13.250   6.172
   70    HD3  PRO   9           HD1      PRO   9  -6.513  14.718   6.475
   71    H    ILE  10           HN       ILE  10  -2.555  13.809   5.800
   72    HA   ILE  10           HA       ILE  10   0.144  14.469   6.493
   73    HB   ILE  10           HB       ILE  10  -0.773  12.297   4.549
   74   HG12  ILE  10          HG12      ILE  10  -1.934  11.990   6.703
   75   HG13  ILE  10          HG11      ILE  10  -0.767  10.703   6.446
   76   HG21  ILE  10          HG21      ILE  10   1.839  12.541   6.088
   77   HG22  ILE  10          HG22      ILE  10   1.621  12.692   4.340
   78   HG23  ILE  10          HG23      ILE  10   1.353  11.139   5.134
   79   HD11  ILE  10          HD11      ILE  10  -0.418  13.081   8.262
   80   HD12  ILE  10          HD12      ILE  10   0.767  11.794   8.013
   81   HD13  ILE  10          HD13      ILE  10  -0.795  11.429   8.745
   82    H    PHE  11           HN       PHE  11  -1.634  14.264   3.441
   83    HA   PHE  11           HA       PHE  11   0.541  14.920   1.705
   84    HB2  PHE  11           HB2      PHE  11  -2.475  14.723   1.279
   85    HB3  PHE  11           HB1      PHE  11  -1.364  15.126  -0.027
   86    HD1  PHE  11           HD2      PHE  11  -1.266  12.507   2.714
   87    HD2  PHE  11           HD1      PHE  11  -1.159  13.291  -1.479
   88    HE1  PHE  11           HE2      PHE  11  -0.898  10.121   2.279
   89    HE2  PHE  11           HE1      PHE  11  -0.778  10.898  -1.904
   90    HZ   PHE  11           HZ       PHE  11  -0.647   9.311  -0.030
   91    H    ARG  12           HN       ARG  12  -2.225  16.733   3.005
   92    HA   ARG  12           HA       ARG  12  -1.792  19.236   1.836
   93    HB2  ARG  12           HB2      ARG  12  -3.036  18.433   4.487
   94    HB3  ARG  12           HB1      ARG  12  -2.967  20.117   3.973
   95    HG2  ARG  12           HG2      ARG  12  -4.294  19.546   1.958
   96    HG3  ARG  12           HG1      ARG  12  -4.388  17.868   2.506
   97    HD2  ARG  12           HD2      ARG  12  -5.641  18.531   4.485
   98    HD3  ARG  12           HD1      ARG  12  -5.441  20.244   4.092
   99    HE   ARG  12           HE       ARG  12  -6.683  19.278   1.901
  100   HH11  ARG  12          HH11      ARG  12  -7.485  18.980   5.306
  101   HH12  ARG  12          HH12      ARG  12  -9.189  18.950   5.011
  102   HH21  ARG  12          HH21      ARG  12  -8.886  19.185   1.553
  103   HH22  ARG  12          HH22      ARG  12  -9.988  19.043   2.884
  104    H    GLN  13           HN       GLN  13  -0.436  17.821   4.807
  105    HA   GLN  13           HA       GLN  13   0.922  20.048   5.832
  106    HB2  GLN  13           HB2      GLN  13   0.535  17.962   7.120
  107    HB3  GLN  13           HB1      GLN  13   1.616  17.080   6.056
  108    HG2  GLN  13           HG2      GLN  13   2.736  17.539   8.154
  109    HG3  GLN  13           HG1      GLN  13   3.517  18.460   6.869
  110   HE21  GLN  13          HE21      GLN  13   1.481  18.647   9.708
  111   HE22  GLN  13          HE22      GLN  13   1.659  20.344   9.974
  112    H    VAL  14           HN       VAL  14   2.065  17.434   3.696
  113    HA   VAL  14           HA       VAL  14   4.712  18.163   3.292
  114    HB   VAL  14           HB       VAL  14   2.776  16.780   1.385
  115   HG11  VAL  14          HG11      VAL  14   4.601  17.685   0.014
  116   HG12  VAL  14          HG12      VAL  14   4.787  15.937   0.149
  117   HG13  VAL  14          HG13      VAL  14   5.808  17.007   1.112
  118   HG21  VAL  14          HG21      VAL  14   4.905  15.633   3.235
  119   HG22  VAL  14          HG22      VAL  14   3.872  14.695   2.154
  120   HG23  VAL  14          HG23      VAL  14   3.162  15.581   3.505
  121    H    PHE  15           HN       PHE  15   1.874  19.136   1.328
  122    HA   PHE  15           HA       PHE  15   3.574  20.779  -0.421
  123    HB2  PHE  15           HB2      PHE  15   0.604  20.064  -0.629
  124    HB3  PHE  15           HB1      PHE  15   1.520  20.963  -1.840
  125    HD1  PHE  15           HD2      PHE  15   3.578  19.825  -2.885
  126    HD2  PHE  15           HD1      PHE  15   0.594  17.672  -0.716
  127    HE1  PHE  15           HE2      PHE  15   4.355  17.722  -3.879
  128    HE2  PHE  15           HE1      PHE  15   1.394  15.572  -1.698
  129    HZ   PHE  15           HZ       PHE  15   3.276  15.596  -3.278
  130    H    ASP  16           HN       ASP  16   2.260  21.390   2.488
  131    HA   ASP  16           HA       ASP  16   1.425  23.114   3.682
  132    HB2  ASP  16           HB2      ASP  16   3.573  24.118   2.807
  133    HB3  ASP  16           HB1      ASP  16   2.664  24.856   1.496
  134    H    ASP  17           HN       ASP  17  -0.268  21.916   1.578
  135    HA   ASP  17           HA       ASP  17  -1.899  24.144   0.529
  136    HB2  ASP  17           HB2      ASP  17  -0.765  22.334  -0.974
  137    HB3  ASP  17           HB1      ASP  17  -1.995  21.228  -0.378
  138    H    ASP  18           HN       ASP  18  -4.309  23.407   0.228
  139    HA   ASP  18           HA       ASP  18  -5.382  21.901   2.523
  140    HB2  ASP  18           HB2      ASP  18  -5.142  24.234   3.328
  141    HB3  ASP  18           HB1      ASP  18  -6.067  24.818   1.947
  142    H    SER  19           HN       SER  19  -5.637  23.160  -0.669
  143    HA   SER  19           HA       SER  19  -8.438  22.578  -1.146
  144    HB2  SER  19           HB2      SER  19  -6.187  23.252  -3.098
  145    HB3  SER  19           HB1      SER  19  -7.903  23.158  -3.515
  146    HG   SER  19           HG       SER  19  -7.167  24.786  -1.374
  147    H    ILE  20           HN       ILE  20  -5.451  20.817  -1.179
  148    HA   ILE  20           HA       ILE  20  -6.188  18.663  -2.902
  149    HB   ILE  20           HB       ILE  20  -4.147  18.799  -0.626
  150   HG12  ILE  20          HG12      ILE  20  -3.787  18.907  -3.664
  151   HG13  ILE  20          HG11      ILE  20  -3.604  20.264  -2.562
  152   HG21  ILE  20          HG21      ILE  20  -4.512  16.553  -2.655
  153   HG22  ILE  20          HG22      ILE  20  -4.841  16.452  -0.925
  154   HG23  ILE  20          HG23      ILE  20  -3.188  16.680  -1.490
  155   HD11  ILE  20          HD11      ILE  20  -1.840  17.816  -2.684
  156   HD12  ILE  20          HD12      ILE  20  -1.642  19.162  -1.557
  157   HD13  ILE  20          HD13      ILE  20  -1.454  19.424  -3.291
  158    H    VAL  21           HN       VAL  21  -8.032  17.633  -2.508
  159    HA   VAL  21           HA       VAL  21  -8.565  16.462   0.164
  160    HB   VAL  21           HB       VAL  21 -10.629  17.170  -1.990
  161   HG11  VAL  21          HG11      VAL  21 -11.058  16.013   0.796
  162   HG12  VAL  21          HG12      VAL  21 -11.277  15.153  -0.728
  163   HG13  VAL  21          HG13      VAL  21 -12.338  16.500  -0.320
  164   HG21  VAL  21          HG21      VAL  21  -9.796  19.204  -0.868
  165   HG22  VAL  21          HG22      VAL  21 -10.171  18.502   0.708
  166   HG23  VAL  21          HG23      VAL  21 -11.474  18.882  -0.421
  167    H    LEU  22           HN       LEU  22  -8.059  14.323   0.073
  168    HA   LEU  22           HA       LEU  22  -7.333  13.148  -2.433
  169    HB2  LEU  22           HB2      LEU  22  -7.414  11.915   0.333
  170    HB3  LEU  22           HB1      LEU  22  -6.694  11.170  -1.092
  171    HG   LEU  22           HG       LEU  22  -5.724  13.681   0.337
  172   HD11  LEU  22          HD11      LEU  22  -5.202  11.561   1.445
  173   HD12  LEU  22          HD12      LEU  22  -3.756  12.368   0.848
  174   HD13  LEU  22          HD13      LEU  22  -4.413  10.985  -0.022
  175   HD21  LEU  22          HD21      LEU  22  -4.625  12.432  -2.206
  176   HD22  LEU  22          HD22      LEU  22  -3.843  13.713  -1.277
  177   HD23  LEU  22          HD23      LEU  22  -5.391  14.015  -2.059
  178    H    THR  23           HN       THR  23  -8.197  11.558  -3.504
  179    HA   THR  23           HA       THR  23 -10.700  10.250  -2.760
  180    HB   THR  23           HB       THR  23 -10.437  11.366  -5.582
  181    HG1  THR  23           HG1      THR  23 -10.110  13.141  -4.066
  182   HG21  THR  23          HG21      THR  23 -12.860  10.913  -3.797
  183   HG22  THR  23          HG22      THR  23 -12.303   9.815  -5.061
  184   HG23  THR  23          HG23      THR  23 -12.901  11.419  -5.493
  185    H    ARG  24           HN       ARG  24 -11.077   8.485  -4.576
  186    HA   ARG  24           HA       ARG  24  -8.980   6.665  -4.458
  187    HB2  ARG  24           HB2      ARG  24 -10.362   5.226  -5.855
  188    HB3  ARG  24           HB1      ARG  24 -11.391   6.119  -4.738
  189    HG2  ARG  24           HG2      ARG  24 -11.968   7.712  -6.542
  190    HG3  ARG  24           HG1      ARG  24 -10.960   6.796  -7.662
  191    HD2  ARG  24           HD2      ARG  24 -12.469   4.795  -7.203
  192    HD3  ARG  24           HD1      ARG  24 -13.537   5.907  -6.334
  193    HE   ARG  24           HE       ARG  24 -12.790   6.346  -9.162
  194   HH11  ARG  24          HH11      ARG  24 -15.344   6.104  -6.755
  195   HH12  ARG  24          HH12      ARG  24 -16.599   6.452  -7.899
  196   HH21  ARG  24          HH21      ARG  24 -14.444   6.782 -10.632
  197   HH22  ARG  24          HH22      ARG  24 -16.095   6.815 -10.091
  198    H    GLU  25           HN       GLU  25  -9.572   9.071  -6.993
  199    HA   GLU  25           HA       GLU  25  -7.304   7.945  -8.556
  200    HB2  GLU  25           HB2      GLU  25  -8.259   8.768 -10.618
  201    HB3  GLU  25           HB1      GLU  25  -9.448   7.768  -9.795
  202    HG2  GLU  25           HG2      GLU  25  -9.462  10.808  -9.729
  203    HG3  GLU  25           HG1      GLU  25 -10.342   9.849 -10.921
  204    H    THR  26           HN       THR  26  -7.881  10.416  -6.465
  205    HA   THR  26           HA       THR  26  -6.536  12.606  -7.592
  206    HB   THR  26           HB       THR  26  -6.299  11.581  -4.719
  207    HG1  THR  26           HG1      THR  26  -8.194  13.279  -5.988
  208   HG21  THR  26          HG21      THR  26  -5.851  14.384  -5.843
  209   HG22  THR  26          HG22      THR  26  -4.593  13.308  -5.218
  210   HG23  THR  26          HG23      THR  26  -5.829  13.950  -4.133
  211    H    SER  27           HN       SER  27  -4.349  13.009  -7.976
  212    HA   SER  27           HA       SER  27  -2.273  11.107  -7.275
  213    HB2  SER  27           HB2      SER  27  -1.712  10.521  -9.623
  214    HB3  SER  27           HB1      SER  27  -3.347   9.994  -9.221
  215    HG   SER  27           HG       SER  27  -3.986  11.136 -10.846
  216    H    ALA  28           HN       ALA  28  -0.218  11.693  -8.523
  217    HA   ALA  28           HA       ALA  28   0.421  14.428  -8.081
  218    HB1  ALA  28           HB1      ALA  28   2.047  12.203  -9.316
  219    HB2  ALA  28           HB2      ALA  28   1.993  12.634  -7.607
  220    HB3  ALA  28           HB3      ALA  28   2.677  13.761  -8.778
  221    H    ASN  29           HN       ASN  29  -0.947  12.862 -10.757
  222    HA   ASN  29           HA       ASN  29  -0.004  14.843 -12.726
  223    HB2  ASN  29           HB2      ASN  29  -0.128  12.406 -13.350
  224    HB3  ASN  29           HB1      ASN  29  -1.859  12.426 -13.044
  225   HD21  ASN  29          HD21      ASN  29   0.693  13.442 -15.197
  226   HD22  ASN  29          HD22      ASN  29  -0.331  13.874 -16.522
  227    H    ASP  30           HN       ASP  30  -2.800  13.817 -10.848
  228    HA   ASP  30           HA       ASP  30  -4.852  15.381 -11.959
  229    HB2  ASP  30           HB2      ASP  30  -5.271  13.442 -10.519
  230    HB3  ASP  30           HB1      ASP  30  -4.449  14.223  -9.178
  231    H    ILE  31           HN       ILE  31  -2.226  16.309  -9.839
  232    HA   ILE  31           HA       ILE  31  -3.487  18.927  -9.229
  233    HB   ILE  31           HB       ILE  31  -1.795  17.238  -7.317
  234   HG12  ILE  31          HG12      ILE  31  -4.742  18.013  -7.101
  235   HG13  ILE  31          HG11      ILE  31  -4.168  16.427  -7.605
  236   HG21  ILE  31          HG21      ILE  31  -2.227  19.001  -5.623
  237   HG22  ILE  31          HG22      ILE  31  -3.047  19.975  -6.847
  238   HG23  ILE  31          HG23      ILE  31  -1.322  19.631  -7.002
  239   HD11  ILE  31          HD11      ILE  31  -3.728  17.697  -4.911
  240   HD12  ILE  31          HD12      ILE  31  -3.181  16.090  -5.399
  241   HD13  ILE  31          HD13      ILE  31  -4.906  16.447  -5.295
  242    H    ASP  32           HN       ASP  32  -2.293  20.601  -9.958
  243    HA   ASP  32           HA       ASP  32   0.260  20.366 -11.168
  244    HB2  ASP  32           HB2      ASP  32  -1.307  22.843 -10.301
  245    HB3  ASP  32           HB1      ASP  32   0.163  22.898 -11.275
  246    H    ALA  33           HN       ALA  33  -0.785  21.450  -7.966
  247    HA   ALA  33           HA       ALA  33   1.662  22.508  -7.002
  248    HB1  ALA  33           HB1      ALA  33   0.641  22.323  -4.765
  249    HB2  ALA  33           HB2      ALA  33  -0.628  21.279  -5.415
  250    HB3  ALA  33           HB3      ALA  33  -0.518  22.963  -5.933
  251    H    TRP  34           HN       TRP  34   0.808  19.266  -7.653
  252    HA   TRP  34           HA       TRP  34   2.500  18.047  -5.606
  253    HB2  TRP  34           HB2      TRP  34   0.171  17.189  -6.454
  254    HB3  TRP  34           HB1      TRP  34   1.059  16.560  -7.832
  255    HD1  TRP  34           HD1      TRP  34   3.630  15.400  -6.144
  256    HE1  TRP  34           HE1      TRP  34   3.260  13.277  -4.747
  257    HE3  TRP  34           HE3      TRP  34  -1.444  15.611  -5.713
  258    HZ2  TRP  34           HZ2      TRP  34   1.090  11.863  -3.631
  259    HZ3  TRP  34           HZ3      TRP  34  -2.610  13.823  -4.493
  260    HH2  TRP  34           HH2      TRP  34  -1.361  11.987  -3.474
  261    H    ASP  35           HN       ASP  35   4.559  17.650  -5.972
  262    HA   ASP  35           HA       ASP  35   5.665  17.402  -8.707
  263    HB2  ASP  35           HB2      ASP  35   6.689  19.344  -7.935
  264    HB3  ASP  35           HB1      ASP  35   6.611  18.864  -6.247
  265    H    SER  36           HN       SER  36   6.755  15.576  -9.218
  266    HA   SER  36           HA       SER  36   7.020  13.221  -8.199
  267    HB2  SER  36           HB2      SER  36   9.575  14.438  -9.274
  268    HB3  SER  36           HB1      SER  36   8.869  12.854  -9.609
  269    H    LEU  37           HN       LEU  37   9.650  15.562  -7.495
  270    HA   LEU  37           HA       LEU  37  11.062  13.941  -5.684
  271    HB2  LEU  37           HB2      LEU  37  11.095  16.961  -6.050
  272    HB3  LEU  37           HB1      LEU  37  12.189  16.134  -4.958
  273    HG   LEU  37           HG       LEU  37  13.405  16.618  -6.962
  274   HD11  LEU  37          HD11      LEU  37  12.708  13.676  -6.991
  275   HD12  LEU  37          HD12      LEU  37  13.879  14.464  -5.931
  276   HD13  LEU  37          HD13      LEU  37  14.158  14.424  -7.669
  277   HD21  LEU  37          HD21      LEU  37  12.754  15.912  -9.215
  278   HD22  LEU  37          HD22      LEU  37  11.536  16.975  -8.514
  279   HD23  LEU  37          HD23      LEU  37  11.244  15.236  -8.590
  280    H    SER  38           HN       SER  38   8.322  16.039  -5.116
  281    HA   SER  38           HA       SER  38   8.649  16.284  -2.259
  282    HB2  SER  38           HB2      SER  38   6.224  16.816  -4.009
  283    HB3  SER  38           HB1      SER  38   6.388  17.296  -2.316
  284    HG   SER  38           HG       SER  38   8.311  18.067  -4.225
  285    H    HIS  39           HN       HIS  39   7.251  13.869  -4.356
  286    HA   HIS  39           HA       HIS  39   5.560  12.417  -2.712
  287    HB2  HIS  39           HB2      HIS  39   7.480  11.574  -4.867
  288    HB3  HIS  39           HB1      HIS  39   6.776  10.305  -3.889
  289    HD2  HIS  39           HD2      HIS  39   6.119  11.576  -7.182
  290    HE1  HIS  39           HE1      HIS  39   2.306  10.736  -5.562
  291    HE2  HIS  39           HE2      HIS  39   3.696  10.820  -7.676
  292    H    MET  40           HN       MET  40   9.109  12.542  -2.519
  293    HA   MET  40           HA       MET  40   9.504  10.314  -0.844
  294    HB2  MET  40           HB2      MET  40  11.192  12.831  -1.141
  295    HB3  MET  40           HB1      MET  40  11.710  11.386  -0.270
  296    HG2  MET  40           HG2      MET  40  11.146  11.649  -3.238
  297    HG3  MET  40           HG1      MET  40  12.690  11.295  -2.453
  298    HE1  MET  40           HE1      MET  40  11.971   7.622  -1.063
  299    HE2  MET  40           HE2      MET  40  11.670   9.125  -0.192
  300    HE3  MET  40           HE3      MET  40  13.152   8.927  -1.127
  301    H    ASN  41           HN       ASN  41   8.616  13.628  -0.065
  302    HA   ASN  41           HA       ASN  41   8.867  13.499   2.757
  303    HB2  ASN  41           HB2      ASN  41   6.932  15.167   1.091
  304    HB3  ASN  41           HB1      ASN  41   7.253  15.406   2.808
  305   HD21  ASN  41          HD21      ASN  41   8.527  15.696  -0.420
  306   HD22  ASN  41          HD22      ASN  41   9.827  16.759  -0.035
  307    H    LEU  42           HN       LEU  42   6.315  12.481   0.517
  308    HA   LEU  42           HA       LEU  42   4.309  11.928   2.456
  309    HB2  LEU  42           HB2      LEU  42   4.707  10.908  -0.386
  310    HB3  LEU  42           HB1      LEU  42   3.417  10.285   0.622
  311    HG   LEU  42           HG       LEU  42   2.474  11.951  -0.822
  312   HD11  LEU  42          HD11      LEU  42   2.786  13.127   1.950
  313   HD12  LEU  42          HD12      LEU  42   1.617  11.895   1.462
  314   HD13  LEU  42          HD13      LEU  42   1.526  13.513   0.774
  315   HD21  LEU  42          HD21      LEU  42   3.229  14.258  -0.904
  316   HD22  LEU  42          HD22      LEU  42   4.523  13.161  -1.386
  317   HD23  LEU  42          HD23      LEU  42   4.537  13.888   0.225
  318    H    ILE  43           HN       ILE  43   6.688   9.826   0.779
  319    HA   ILE  43           HA       ILE  43   5.911   7.380   1.835
  320    HB   ILE  43           HB       ILE  43   8.541   8.380   0.723
  321   HG12  ILE  43          HG12      ILE  43   8.131   6.614  -1.008
  322   HG13  ILE  43          HG11      ILE  43   6.672   6.129  -0.162
  323   HG21  ILE  43          HG21      ILE  43   9.581   6.127   0.918
  324   HG22  ILE  43          HG22      ILE  43   8.239   5.607   1.938
  325   HG23  ILE  43          HG23      ILE  43   9.321   6.886   2.490
  326   HD11  ILE  43          HD11      ILE  43   6.147   7.434  -2.103
  327   HD12  ILE  43          HD12      ILE  43   7.162   8.760  -1.538
  328   HD13  ILE  43          HD13      ILE  43   5.692   8.333  -0.655
  329    H    VAL  44           HN       VAL  44   8.553   9.508   3.098
  330    HA   VAL  44           HA       VAL  44   9.130   7.900   5.332
  331    HB   VAL  44           HB       VAL  44  10.343   9.867   6.262
  332   HG11  VAL  44          HG11      VAL  44  12.004  10.082   4.435
  333   HG12  VAL  44          HG12      VAL  44  10.840   9.398   3.298
  334   HG13  VAL  44          HG13      VAL  44  11.467   8.409   4.621
  335   HG21  VAL  44          HG21      VAL  44  10.449  12.002   4.997
  336   HG22  VAL  44          HG22      VAL  44   8.813  11.683   5.574
  337   HG23  VAL  44          HG23      VAL  44   9.220  11.399   3.881
  338    H    SER  45           HN       SER  45   6.754  10.511   4.932
  339    HA   SER  45           HA       SER  45   5.982  10.708   7.681
  340    HB2  SER  45           HB2      SER  45   4.490  11.501   5.147
  341    HB3  SER  45           HB1      SER  45   3.957  11.906   6.782
  342    HG   SER  45           HG       SER  45   6.502  12.601   5.748
  343    H    LEU  46           HN       LEU  46   4.823   8.687   4.989
  344    HA   LEU  46           HA       LEU  46   2.502   7.683   6.325
  345    HB2  LEU  46           HB2      LEU  46   3.989   6.472   3.957
  346    HB3  LEU  46           HB1      LEU  46   2.377   6.025   4.487
  347    HG   LEU  46           HG       LEU  46   3.231   8.634   3.155
  348   HD11  LEU  46          HD11      LEU  46   2.878   6.769   1.625
  349   HD12  LEU  46          HD12      LEU  46   1.647   8.012   1.408
  350   HD13  LEU  46          HD13      LEU  46   1.249   6.518   2.266
  351   HD21  LEU  46          HD21      LEU  46   0.513   8.027   4.365
  352   HD22  LEU  46          HD22      LEU  46   0.913   9.423   3.353
  353   HD23  LEU  46          HD23      LEU  46   1.674   9.233   4.931
  354    H    GLU  47           HN       GLU  47   5.833   6.622   5.961
  355    HA   GLU  47           HA       GLU  47   5.735   4.046   7.074
  356    HB2  GLU  47           HB2      GLU  47   8.015   6.073   7.111
  357    HB3  GLU  47           HB1      GLU  47   8.194   4.359   7.474
  358    HG2  GLU  47           HG2      GLU  47   7.297   5.462   4.799
  359    HG3  GLU  47           HG1      GLU  47   8.955   5.032   5.193
  360    H    VAL  48           HN       VAL  48   6.543   7.190   8.614
  361    HA   VAL  48           HA       VAL  48   6.830   5.984  11.202
  362    HB   VAL  48           HB       VAL  48   7.232   8.267  12.047
  363   HG11  VAL  48          HG11      VAL  48   9.314   8.702  10.777
  364   HG12  VAL  48          HG12      VAL  48   8.756   7.624   9.494
  365   HG13  VAL  48          HG13      VAL  48   9.100   6.978  11.101
  366   HG21  VAL  48          HG21      VAL  48   5.680   9.571  10.644
  367   HG22  VAL  48          HG22      VAL  48   6.647   9.216   9.214
  368   HG23  VAL  48          HG23      VAL  48   7.317  10.214  10.507
  369    H    HIS  49           HN       HIS  49   4.247   8.007   9.740
  370    HA   HIS  49           HA       HIS  49   2.725   8.363  12.131
  371    HB2  HIS  49           HB2      HIS  49   2.017   8.726   9.190
  372    HB3  HIS  49           HB1      HIS  49   0.800   8.933  10.444
  373    HD1  HIS  49           HD1      HIS  49   0.513  11.286  11.121
  374    HD2  HIS  49           HD2      HIS  49   4.372  10.580   9.780
  375    HE1  HIS  49           HE1      HIS  49   1.662  13.512  11.194
  376    HE2  HIS  49           HE2      HIS  49   3.992  13.071  10.359
  377    H    TYR  50           HN       TYR  50   2.362   6.090   9.388
  378    HA   TYR  50           HA       TYR  50   0.185   4.678  10.769
  379    HB2  TYR  50           HB2      TYR  50   1.269   4.420   7.940
  380    HB3  TYR  50           HB1      TYR  50  -0.040   3.430   8.586
  381    HD1  TYR  50           HD2      TYR  50   0.892   6.855   7.498
  382    HD2  TYR  50           HD1      TYR  50  -2.261   4.378   8.997
  383    HE1  TYR  50           HE2      TYR  50  -0.754   8.605   6.970
  384    HE2  TYR  50           HE1      TYR  50  -3.895   6.129   8.470
  385    HH   TYR  50           HH       TYR  50  -3.201   8.756   6.507
  386    H    LYS  51           HN       LYS  51   3.489   4.435  10.653
  387    HA   LYS  51           HA       LYS  51   5.040   2.947  11.351
  388    HB2  LYS  51           HB2      LYS  51   2.675   1.530  12.651
  389    HB3  LYS  51           HB1      LYS  51   4.348   1.053  12.896
  390    HG2  LYS  51           HG2      LYS  51   3.844   2.323  14.803
  391    HG3  LYS  51           HG1      LYS  51   4.748   3.433  13.779
  392    HD2  LYS  51           HD2      LYS  51   2.930   4.676  14.722
  393    HD3  LYS  51           HD1      LYS  51   2.530   4.415  13.026
  394    HE2  LYS  51           HE2      LYS  51   1.431   2.748  15.320
  395    HE3  LYS  51           HE1      LYS  51   0.595   4.115  14.602
  396    HZ1  LYS  51           HZ1      LYS  51   1.355   1.634  13.166
  397    HZ2  LYS  51           HZ2      LYS  51   0.489   2.930  12.513
  398    HZ3  LYS  51           HZ3      LYS  51  -0.177   2.001  13.746
  399    H    ILE  52           HN       ILE  52   3.879   2.639   8.732
  400    HA   ILE  52           HA       ILE  52   3.809  -0.288   8.260
  401    HB   ILE  52           HB       ILE  52   2.775   0.265   6.070
  402   HG12  ILE  52          HG12      ILE  52   2.853   3.165   7.045
  403   HG13  ILE  52          HG11      ILE  52   3.752   2.510   5.680
  404   HG21  ILE  52          HG21      ILE  52   1.300   1.499   8.428
  405   HG22  ILE  52          HG22      ILE  52   1.356  -0.217   8.032
  406   HG23  ILE  52          HG23      ILE  52   0.556   0.913   6.936
  407   HD11  ILE  52          HD11      ILE  52   1.852   3.798   4.933
  408   HD12  ILE  52          HD12      ILE  52   0.756   2.793   5.879
  409   HD13  ILE  52          HD13      ILE  52   1.630   2.100   4.510
  410    H    LYS  53           HN       LYS  53   4.700  -0.684   5.835
  411    HA   LYS  53           HA       LYS  53   7.173   0.790   5.360
  412    HB2  LYS  53           HB2      LYS  53   7.711  -0.945   7.097
  413    HB3  LYS  53           HB1      LYS  53   7.251  -2.198   5.946
  414    HG2  LYS  53           HG2      LYS  53   9.089  -1.635   4.483
  415    HG3  LYS  53           HG1      LYS  53   9.459  -0.178   5.418
  416    HD2  LYS  53           HD2      LYS  53  10.105  -1.569   7.352
  417    HD3  LYS  53           HD1      LYS  53   9.691  -3.032   6.459
  418    HE2  LYS  53           HE2      LYS  53  11.487  -2.565   4.842
  419    HE3  LYS  53           HE1      LYS  53  11.879  -1.069   5.693
  420    HZ1  LYS  53           HZ1      LYS  53  13.364  -2.874   6.300
  421    HZ2  LYS  53           HZ2      LYS  53  12.059  -3.795   6.851
  422    HZ3  LYS  53           HZ3      LYS  53  12.465  -2.354   7.633
  423    H    PHE  54           HN       PHE  54   6.783   1.322   3.313
  424    HA   PHE  54           HA       PHE  54   5.858  -0.593   1.309
  425    HB2  PHE  54           HB2      PHE  54   6.891   2.270   0.938
  426    HB3  PHE  54           HB1      PHE  54   6.189   1.268  -0.321
  427    HD1  PHE  54           HD2      PHE  54   3.726   0.758  -0.313
  428    HD2  PHE  54           HD1      PHE  54   5.483   3.459   2.515
  429    HE1  PHE  54           HE2      PHE  54   1.516   1.700   0.191
  430    HE2  PHE  54           HE1      PHE  54   3.260   4.378   2.999
  431    HZ   PHE  54           HZ       PHE  54   1.280   3.501   1.839
  432    H    ALA  55           HN       ALA  55   7.138  -1.670  -0.076
  433    HA   ALA  55           HA       ALA  55  10.036  -1.205  -0.230
  434    HB1  ALA  55           HB1      ALA  55  10.027  -3.174  -1.747
  435    HB2  ALA  55           HB2      ALA  55   8.264  -3.253  -1.648
  436    HB3  ALA  55           HB3      ALA  55   9.243  -3.558  -0.211
  437    H    LEU  56           HN       LEU  56  10.966  -0.693  -2.400
  438    HA   LEU  56           HA       LEU  56   9.627   1.346  -3.824
  439    HB2  LEU  56           HB2      LEU  56  12.220   0.549  -3.679
  440    HB3  LEU  56           HB1      LEU  56  11.824  -0.235  -5.191
  441    HG   LEU  56           HG       LEU  56  12.923   1.974  -5.502
  442   HD11  LEU  56          HD11      LEU  56  10.080   1.987  -6.538
  443   HD12  LEU  56          HD12      LEU  56  11.461   1.187  -7.288
  444   HD13  LEU  56          HD13      LEU  56  11.428   2.944  -7.166
  445   HD21  LEU  56          HD21      LEU  56  11.777   4.061  -4.933
  446   HD22  LEU  56          HD22      LEU  56  12.096   3.095  -3.494
  447   HD23  LEU  56          HD23      LEU  56  10.465   3.153  -4.174
  448    H    GLY  57           HN       GLY  57   9.633  -2.156  -4.237
  449    HA2  GLY  57           HA2      GLY  57   8.428  -2.387  -6.779
  450    HA3  GLY  57           HA1      GLY  57   8.290  -3.553  -5.468
  451    H    GLU  58           HN       GLU  58   7.024  -1.765  -3.574
  452    HA   GLU  58           HA       GLU  58   4.263  -1.895  -4.326
  453    HB2  GLU  58           HB2      GLU  58   5.487  -0.274  -2.043
  454    HB3  GLU  58           HB1      GLU  58   3.812  -0.809  -2.172
  455    HG2  GLU  58           HG2      GLU  58   6.171  -2.707  -1.933
  456    HG3  GLU  58           HG1      GLU  58   5.287  -2.082  -0.546
  457    H    LEU  59           HN       LEU  59   6.676   0.690  -4.065
  458    HA   LEU  59           HA       LEU  59   5.193   2.963  -4.650
  459    HB2  LEU  59           HB2      LEU  59   8.085   2.203  -4.958
  460    HB3  LEU  59           HB1      LEU  59   7.565   3.654  -5.778
  461    HG   LEU  59           HG       LEU  59   8.619   4.072  -3.546
  462   HD11  LEU  59          HD11      LEU  59   7.120   5.700  -4.555
  463   HD12  LEU  59          HD12      LEU  59   6.991   5.712  -2.800
  464   HD13  LEU  59          HD13      LEU  59   5.734   4.941  -3.769
  465   HD21  LEU  59          HD21      LEU  59   7.407   3.613  -1.485
  466   HD22  LEU  59          HD22      LEU  59   7.758   2.106  -2.329
  467   HD23  LEU  59          HD23      LEU  59   6.125   2.786  -2.379
  468    H    GLN  60           HN       GLN  60   6.848   0.774  -6.901
  469    HA   GLN  60           HA       GLN  60   6.323   1.960  -9.341
  470    HB2  GLN  60           HB2      GLN  60   6.404  -1.017  -8.692
  471    HB3  GLN  60           HB1      GLN  60   6.567  -0.341 -10.308
  472    HG2  GLN  60           HG2      GLN  60   8.498   0.225  -8.042
  473    HG3  GLN  60           HG1      GLN  60   8.705  -1.071  -9.212
  474   HE21  GLN  60          HE21      GLN  60  10.699  -0.156  -9.799
  475   HE22  GLN  60          HE22      GLN  60  10.796   1.235 -10.816
  476    H    LYS  61           HN       LYS  61   4.073   0.296  -7.281
  477    HA   LYS  61           HA       LYS  61   2.075  -0.077  -9.412
  478    HB2  LYS  61           HB2      LYS  61   1.934  -1.022  -6.519
  479    HB3  LYS  61           HB1      LYS  61   0.940  -1.565  -7.871
  480    HG2  LYS  61           HG2      LYS  61   3.899  -2.091  -7.447
  481    HG3  LYS  61           HG1      LYS  61   2.586  -3.269  -7.348
  482    HD2  LYS  61           HD2      LYS  61   2.193  -3.112  -9.755
  483    HD3  LYS  61           HD1      LYS  61   3.328  -1.765  -9.904
  484    HE2  LYS  61           HE2      LYS  61   4.363  -3.827 -10.707
  485    HE3  LYS  61           HE1      LYS  61   5.181  -3.280  -9.246
  486    HZ1  LYS  61           HZ1      LYS  61   3.126  -5.411  -9.369
  487    HZ2  LYS  61           HZ2      LYS  61   3.945  -4.906  -7.982
  488    HZ3  LYS  61           HZ3      LYS  61   4.790  -5.657  -9.236
  489    H    LEU  62           HN       LEU  62   2.875   2.275  -7.145
  490    HA   LEU  62           HA       LEU  62   0.176   3.077  -6.369
  491    HB2  LEU  62           HB2      LEU  62   2.842   4.485  -5.886
  492    HB3  LEU  62           HB1      LEU  62   1.305   4.916  -5.147
  493    HG   LEU  62           HG       LEU  62   2.830   2.327  -4.669
  494   HD11  LEU  62          HD11      LEU  62   4.001   4.206  -3.684
  495   HD12  LEU  62          HD12      LEU  62   3.297   3.194  -2.428
  496   HD13  LEU  62          HD13      LEU  62   2.533   4.732  -2.849
  497   HD21  LEU  62          HD21      LEU  62   1.217   1.883  -2.867
  498   HD22  LEU  62          HD22      LEU  62   0.430   1.953  -4.440
  499   HD23  LEU  62          HD23      LEU  62   0.290   3.317  -3.327
  500    H    LYS  63           HN       LYS  63  -0.777   3.591  -8.411
  501    HA   LYS  63           HA       LYS  63   0.428   5.632 -10.136
  502    HB2  LYS  63           HB2      LYS  63  -0.704   3.690 -11.165
  503    HB3  LYS  63           HB1      LYS  63  -2.216   4.120 -10.372
  504    HG2  LYS  63           HG2      LYS  63  -2.306   6.211 -11.683
  505    HG3  LYS  63           HG1      LYS  63  -0.783   5.791 -12.469
  506    HD2  LYS  63           HD2      LYS  63  -3.291   4.070 -12.665
  507    HD3  LYS  63           HD1      LYS  63  -2.913   5.357 -13.808
  508    HE2  LYS  63           HE2      LYS  63  -2.212   3.269 -14.786
  509    HE3  LYS  63           HE1      LYS  63  -0.764   4.171 -14.352
  510    HZ1  LYS  63           HZ1      LYS  63  -1.933   1.976 -12.724
  511    HZ2  LYS  63           HZ2      LYS  63  -0.464   2.770 -12.445
  512    HZ3  LYS  63           HZ3      LYS  63  -0.653   1.795 -13.810
  513    H    ASN  64           HN       ASN  64  -2.166   5.280  -7.806
  514    HA   ASN  64           HA       ASN  64  -2.543   8.194  -7.647
  515    HB2  ASN  64           HB2      ASN  64  -4.936   6.270  -7.723
  516    HB3  ASN  64           HB1      ASN  64  -4.999   8.019  -7.587
  517   HD21  ASN  64          HD21      ASN  64  -4.445   5.330  -9.757
  518   HD22  ASN  64          HD22      ASN  64  -4.625   6.226 -11.226
  519    H    VAL  65           HN       VAL  65  -4.007   8.618  -5.681
  520    HA   VAL  65           HA       VAL  65  -2.928   7.483  -3.314
  521    HB   VAL  65           HB       VAL  65  -5.368   9.293  -3.644
  522   HG11  VAL  65          HG11      VAL  65  -5.026   9.940  -1.295
  523   HG12  VAL  65          HG12      VAL  65  -3.679   8.808  -1.158
  524   HG13  VAL  65          HG13      VAL  65  -5.317   8.207  -1.415
  525   HG21  VAL  65          HG21      VAL  65  -3.337  10.307  -4.620
  526   HG22  VAL  65          HG22      VAL  65  -2.466  10.043  -3.108
  527   HG23  VAL  65          HG23      VAL  65  -3.824  11.166  -3.157
  528    H    GLY  66           HN       GLY  66  -5.586   6.517  -5.336
  529    HA2  GLY  66           HA2      GLY  66  -7.109   5.014  -3.444
  530    HA3  GLY  66           HA1      GLY  66  -7.063   4.756  -5.188
  531    H    ASP  67           HN       ASP  67  -4.320   4.267  -5.546
  532    HA   ASP  67           HA       ASP  67  -3.927   1.580  -4.785
  533    HB2  ASP  67           HB2      ASP  67  -1.888   3.646  -5.719
  534    HB3  ASP  67           HB1      ASP  67  -1.554   1.923  -5.569
  535    H    LEU  68           HN       LEU  68  -2.599   4.640  -3.404
  536    HA   LEU  68           HA       LEU  68  -1.131   3.533  -1.290
  537    HB2  LEU  68           HB2      LEU  68  -2.542   6.195  -1.591
  538    HB3  LEU  68           HB1      LEU  68  -1.898   5.758  -0.025
  539    HG   LEU  68           HG       LEU  68  -0.292   7.157  -1.054
  540   HD11  LEU  68          HD11      LEU  68   1.713   5.759  -1.158
  541   HD12  LEU  68          HD12      LEU  68   0.711   4.312  -1.265
  542   HD13  LEU  68          HD13      LEU  68   0.667   5.312   0.189
  543   HD21  LEU  68          HD21      LEU  68  -1.022   6.989  -3.391
  544   HD22  LEU  68          HD22      LEU  68  -0.336   5.368  -3.509
  545   HD23  LEU  68          HD23      LEU  68   0.721   6.761  -3.260
  546    H    ALA  69           HN       ALA  69  -4.600   4.336  -1.481
  547    HA   ALA  69           HA       ALA  69  -5.302   3.840   1.182
  548    HB1  ALA  69           HB1      ALA  69  -7.619   3.654   0.368
  549    HB2  ALA  69           HB2      ALA  69  -7.025   3.536  -1.292
  550    HB3  ALA  69           HB3      ALA  69  -6.781   5.020  -0.371
  551    H    ASP  70           HN       ASP  70  -5.018   1.673  -1.600
  552    HA   ASP  70           HA       ASP  70  -5.984  -0.697  -0.392
  553    HB2  ASP  70           HB2      ASP  70  -5.715  -0.486  -2.852
  554    HB3  ASP  70           HB1      ASP  70  -3.968  -0.385  -2.659
  555    H    LEU  71           HN       LEU  71  -2.588   0.421  -0.922
  556    HA   LEU  71           HA       LEU  71  -1.460  -1.889   0.312
  557    HB2  LEU  71           HB2      LEU  71  -0.262   0.714  -0.644
  558    HB3  LEU  71           HB1      LEU  71   0.709  -0.350   0.345
  559    HG   LEU  71           HG       LEU  71   1.330  -0.823  -1.888
  560   HD11  LEU  71          HD11      LEU  71   1.070  -2.830  -0.517
  561   HD12  LEU  71          HD12      LEU  71   0.759  -3.164  -2.218
  562   HD13  LEU  71          HD13      LEU  71  -0.592  -3.025  -1.090
  563   HD21  LEU  71          HD21      LEU  71  -1.597  -1.087  -2.635
  564   HD22  LEU  71          HD22      LEU  71  -0.220  -1.390  -3.703
  565   HD23  LEU  71          HD23      LEU  71  -0.504   0.231  -3.075
  566    H    VAL  72           HN       VAL  72  -1.813   1.474   1.518
  567    HA   VAL  72           HA       VAL  72  -0.743   1.189   4.057
  568    HB   VAL  72           HB       VAL  72  -3.110   2.941   3.228
  569   HG11  VAL  72          HG11      VAL  72  -2.552   4.355   5.199
  570   HG12  VAL  72          HG12      VAL  72  -1.346   3.166   5.696
  571   HG13  VAL  72          HG13      VAL  72  -3.055   2.729   5.670
  572   HG21  VAL  72          HG21      VAL  72  -1.085   3.434   1.896
  573   HG22  VAL  72          HG22      VAL  72  -0.149   3.650   3.375
  574   HG23  VAL  72          HG23      VAL  72  -1.453   4.776   2.985
  575    H    ASP  73           HN       ASP  73  -4.088   0.510   2.933
  576    HA   ASP  73           HA       ASP  73  -5.240  -0.340   5.369
  577    HB2  ASP  73           HB2      ASP  73  -6.694   0.113   3.524
  578    HB3  ASP  73           HB1      ASP  73  -5.829  -0.985   2.464
  579    H    LYS  74           HN       LYS  74  -3.428  -2.141   2.949
  580    HA   LYS  74           HA       LYS  74  -3.883  -4.779   3.993
  581    HB2  LYS  74           HB2      LYS  74  -1.594  -3.870   2.192
  582    HB3  LYS  74           HB1      LYS  74  -2.057  -5.543   2.498
  583    HG2  LYS  74           HG2      LYS  74  -3.669  -3.440   1.041
  584    HG3  LYS  74           HG1      LYS  74  -2.901  -4.860   0.334
  585    HD2  LYS  74           HD2      LYS  74  -4.471  -6.339   1.439
  586    HD3  LYS  74           HD1      LYS  74  -5.113  -5.023   2.421
  587    HE2  LYS  74           HE2      LYS  74  -5.394  -5.275  -0.590
  588    HE3  LYS  74           HE1      LYS  74  -6.657  -5.585   0.606
  589    HZ1  LYS  74           HZ1      LYS  74  -6.600  -3.310   1.271
  590    HZ2  LYS  74           HZ2      LYS  74  -6.788  -3.364  -0.409
  591    HZ3  LYS  74           HZ3      LYS  74  -5.287  -2.983   0.264
  592    H    LYS  75           HN       LYS  75  -1.351  -2.394   4.481
  593    HA   LYS  75           HA       LYS  75   0.343  -4.118   6.073
  594    HB2  LYS  75           HB2      LYS  75   0.474  -1.125   5.478
  595    HB3  LYS  75           HB1      LYS  75   1.750  -2.065   6.251
  596    HG2  LYS  75           HG2      LYS  75   2.075  -3.388   4.231
  597    HG3  LYS  75           HG1      LYS  75   0.711  -2.590   3.447
  598    HD2  LYS  75           HD2      LYS  75   1.967  -0.425   3.551
  599    HD3  LYS  75           HD1      LYS  75   3.342  -1.286   4.259
  600    HE2  LYS  75           HE2      LYS  75   2.160  -1.792   1.494
  601    HE3  LYS  75           HE1      LYS  75   3.657  -0.925   1.836
  602    HZ1  LYS  75           HZ1      LYS  75   4.616  -2.929   2.720
  603    HZ2  LYS  75           HZ2      LYS  75   4.029  -3.236   1.162
  604    HZ3  LYS  75           HZ3      LYS  75   3.165  -3.775   2.510
  605    H    LEU  76           HN       LEU  76  -2.174  -1.724   6.643
  606    HA   LEU  76           HA       LEU  76  -1.845  -1.671   9.531
  607    HB2  LEU  76           HB2      LEU  76  -4.051  -0.648   7.708
  608    HB3  LEU  76           HB1      LEU  76  -4.115  -0.502   9.457
  609    HG   LEU  76           HG       LEU  76  -2.048   0.809   7.644
  610   HD11  LEU  76          HD11      LEU  76  -3.127   2.924   8.262
  611   HD12  LEU  76          HD12      LEU  76  -4.349   2.050   9.190
  612   HD13  LEU  76          HD13      LEU  76  -4.253   1.847   7.437
  613   HD21  LEU  76          HD21      LEU  76  -2.363   1.038  10.661
  614   HD22  LEU  76          HD22      LEU  76  -1.245   1.970   9.663
  615   HD23  LEU  76          HD23      LEU  76  -1.046   0.228   9.808
  616    H    ALA  77           HN       ALA  77  -3.582  -3.611   7.201
  617    HA   ALA  77           HA       ALA  77  -5.154  -5.119   9.041
  618    HB1  ALA  77           HB1      ALA  77  -5.270  -6.841   7.275
  619    HB2  ALA  77           HB2      ALA  77  -3.983  -6.024   6.383
  620    HB3  ALA  77           HB3      ALA  77  -5.542  -5.232   6.608
  621    H    ARG  78           HN       ARG  78  -1.806  -5.326   7.958
  622    HA   ARG  78           HA       ARG  78  -1.171  -7.716   9.447
  623    HB2  ARG  78           HB2      ARG  78   0.592  -5.637   8.086
  624    HB3  ARG  78           HB1      ARG  78   1.221  -7.095   8.860
  625    HG2  ARG  78           HG2      ARG  78  -0.718  -7.041   6.515
  626    HG3  ARG  78           HG1      ARG  78   1.012  -7.389   6.418
  627    HD2  ARG  78           HD2      ARG  78   0.719  -9.391   7.793
  628    HD3  ARG  78           HD1      ARG  78  -0.992  -9.021   8.020
  629    HE   ARG  78           HE       ARG  78  -0.274  -9.300   5.252
  630   HH11  ARG  78          HH11      ARG  78  -1.196 -11.103   8.118
  631   HH12  ARG  78          HH12      ARG  78  -1.746 -12.476   7.221
  632   HH21  ARG  78          HH21      ARG  78  -1.057 -11.074   4.093
  633   HH22  ARG  78          HH22      ARG  78  -1.694 -12.456   4.928
  634    H    LYS  79           HN       LYS  79  -1.149  -4.277  10.157
  635    HA   LYS  79           HA       LYS  79   0.386  -4.585  12.625
  636    HB2  LYS  79           HB2      LYS  79  -0.912  -2.194  11.251
  637    HB3  LYS  79           HB1      LYS  79  -0.327  -2.069  12.907
  638    HG2  LYS  79           HG2      LYS  79   1.363  -2.769  10.476
  639    HG3  LYS  79           HG1      LYS  79   1.344  -1.216  11.324
  640    HD2  LYS  79           HD2      LYS  79   2.089  -2.471  13.417
  641    HD3  LYS  79           HD1      LYS  79   2.315  -3.895  12.400
  642    HE2  LYS  79           HE2      LYS  79   3.749  -1.244  12.071
  643    HE3  LYS  79           HE1      LYS  79   4.432  -2.694  12.804
  644    HZ1  LYS  79           HZ1      LYS  79   5.205  -2.601  10.600
  645    HZ2  LYS  79           HZ2      LYS  79   3.675  -2.264   9.981
  646    HZ3  LYS  79           HZ3      LYS  79   4.009  -3.797  10.601
  647    H    LEU  80           HN       LEU  80  -2.875  -3.453  11.829
  648    HA   LEU  80           HA       LEU  80  -4.903  -3.571  12.707
  649    HB2  LEU  80           HB2      LEU  80  -3.687  -5.689  14.499
  650    HB3  LEU  80           HB1      LEU  80  -5.375  -5.226  14.595
  651    HG   LEU  80           HG       LEU  80  -4.039  -6.413  12.136
  652   HD11  LEU  80          HD11      LEU  80  -4.190  -8.069  13.933
  653   HD12  LEU  80          HD12      LEU  80  -5.299  -8.459  12.621
  654   HD13  LEU  80          HD13      LEU  80  -5.919  -7.746  14.115
  655   HD21  LEU  80          HD21      LEU  80  -6.327  -6.626  11.229
  656   HD22  LEU  80          HD22      LEU  80  -5.896  -4.942  11.514
  657   HD23  LEU  80          HD23      LEU  80  -6.973  -5.777  12.640
  658    H    GLU  81           HN       GLU  81  -2.302  -2.315  14.343
  659    HA   GLU  81           HA       GLU  81  -1.927  -0.850  16.015
  660    HB2  GLU  81           HB2      GLU  81  -4.898  -0.214  15.874
  661    HB3  GLU  81           HB1      GLU  81  -3.622   0.850  16.458
  662    HG2  GLU  81           HG2      GLU  81  -4.038  -0.079  13.602
  663    HG3  GLU  81           HG1      GLU  81  -4.411   1.521  14.244
  664    H    HIS  82           HN       HIS  82  -5.224  -1.384  17.111
  665    HA   HIS  82           HA       HIS  82  -4.370  -3.171  19.304
  666    HB2  HIS  82           HB2      HIS  82  -6.695  -1.183  19.249
  667    HB3  HIS  82           HB1      HIS  82  -6.340  -2.299  20.565
  668    HD1  HIS  82           HD1      HIS  82  -4.836  -1.464  22.356
  669    HD2  HIS  82           HD2      HIS  82  -4.612   0.878  18.930
  670    HE1  HIS  82           HE1      HIS  82  -3.423   0.511  22.985
  671    HE2  HIS  82           HE2      HIS  82  -3.316   1.925  20.905
  672    H    HIS  83           HN       HIS  83  -4.966  -5.131  18.698
  673    HA   HIS  83           HA       HIS  83  -6.209  -5.823  16.337
  674    HB2  HIS  83           HB2      HIS  83  -5.690  -7.439  18.862
  675    HB3  HIS  83           HB1      HIS  83  -6.434  -8.176  17.449
  676    HD1  HIS  83           HD1      HIS  83  -4.605  -9.708  16.768
  677    HD2  HIS  83           HD2      HIS  83  -3.291  -5.798  17.270
  678    HE1  HIS  83           HE1      HIS  83  -2.255  -9.671  15.889
  679    HE2  HIS  83           HE2      HIS  83  -1.464  -7.304  16.229
  680    H    HIS  84           HN       HIS  84  -7.631  -6.098  19.619
  681    HA   HIS  84           HA       HIS  84  -9.745  -6.386  20.397
  682    HB2  HIS  84           HB2      HIS  84 -10.430  -4.807  17.876
  683    HB3  HIS  84           HB1      HIS  84 -11.602  -5.178  19.129
  684    HD1  HIS  84           HD1      HIS  84  -9.386  -2.574  18.100
  685    HD2  HIS  84           HD2      HIS  84 -10.669  -4.048  21.764
  686    HE1  HIS  84           HE1      HIS  84  -9.026  -0.710  19.738
  687    HE2  HIS  84           HE2      HIS  84  -9.617  -1.702  21.973
  688    H    HIS  85           HN       HIS  85 -12.202  -6.876  18.949
  689    HA   HIS  85           HA       HIS  85 -13.455  -8.320  17.806
  690    HB2  HIS  85           HB2      HIS  85 -11.766  -7.980  15.931
  691    HB3  HIS  85           HB1      HIS  85 -10.952  -9.439  16.467
  692    HD1  HIS  85           HD1      HIS  85 -11.754  -9.600  13.700
  693    HD2  HIS  85           HD2      HIS  85 -14.493 -10.474  16.696
  694    HE1  HIS  85           HE1      HIS  85 -13.520 -10.996  12.606
  695    HE2  HIS  85           HE2      HIS  85 -15.273 -11.298  14.377
  696    H    HIS  86           HN       HIS  86 -10.558 -10.417  18.211
  697    HA   HIS  86           HA       HIS  86 -11.788 -11.784  20.504
  698    HB2  HIS  86           HB2      HIS  86 -10.940 -13.207  17.945
  699    HB3  HIS  86           HB1      HIS  86 -11.158 -14.044  19.476
  700    HD1  HIS  86           HD1      HIS  86 -12.912 -13.675  16.481
  701    HD2  HIS  86           HD2      HIS  86 -14.018 -13.259  20.466
  702    HE1  HIS  86           HE1      HIS  86 -15.407 -13.954  16.520
  703    HE2  HIS  86           HE2      HIS  86 -16.012 -13.899  18.957
  704    H    HIS  87           HN       HIS  87  -8.982 -12.385  18.340
  705    HA   HIS  87           HA       HIS  87  -7.090 -11.615  20.446
  706    HB2  HIS  87           HB2      HIS  87  -7.374 -13.998  20.898
  707    HB3  HIS  87           HB1      HIS  87  -7.149 -14.399  19.200
  708    HD1  HIS  87           HD1      HIS  87  -4.743 -14.512  18.309
  709    HD2  HIS  87           HD2      HIS  87  -4.950 -13.417  22.310
  710    HE1  HIS  87           HE1      HIS  87  -2.382 -14.633  19.159
  711    HE2  HIS  87           HE2      HIS  87  -2.565 -14.150  21.626
  712   H282  PNS  88          H282      PNS  88   5.586  13.458 -11.212
  713   H281  PNS  88          H281      PNS  88   5.465  12.996 -12.917
  714   H303  PNS  88          H303      PNS  88   3.155  11.996 -12.362
  715   H302  PNS  88          H302      PNS  88   3.013  10.871 -11.013
  716   H301  PNS  88          H301      PNS  88   3.430  12.556 -10.706
  717   H313  PNS  88          H313      PNS  88   5.502  11.686  -9.402
  718   H312  PNS  88          H312      PNS  88   5.107  10.018  -9.810
  719   H311  PNS  88          H311      PNS  88   6.689  10.669 -10.233
  720    H32  PNS  88           H32      PNS  88   4.821  10.532 -13.554
  721    H33  PNS  88           H33      PNS  88   7.095   9.463 -12.252
  722    H36  PNS  88           H36      PNS  88   2.837   9.547 -12.236
  723   H372  PNS  88          H372      PNS  88   1.629   7.728 -11.693
  724   H371  PNS  88          H371      PNS  88   2.943   6.749 -12.352
  725   H382  PNS  88          H382      PNS  88   2.596   6.181 -10.015
  726   H381  PNS  88          H381      PNS  88   4.155   6.962 -10.234
  727    H41  PNS  88           H41      PNS  88   0.801   8.054  -9.645
  728   H422  PNS  88          H422      PNS  88   1.653  10.119  -7.740
  729   H421  PNS  88          H421      PNS  88   0.043   9.900  -8.431
  730   H431  PNS  88          H431      PNS  88  -0.247   7.875  -6.994
  731   H432  PNS  88          H432      PNS  88  -0.065   9.360  -6.073
  732    H44  PNS  88           H44      PNS  88   2.563   7.248  -6.668
  Start of MODEL    5
    1    H1   MET   1           HT1      MET   1 -13.399   1.967   4.888
    2    H2   MET   1           HT2      MET   1 -14.177   2.652   6.223
    3    H3   MET   1           HT3      MET   1 -13.714   1.030   6.264
    4    HA   MET   1           HA       MET   1 -12.243   2.366   7.571
    5    HB2  MET   1           HB2      MET   1 -11.042   1.225   5.008
    6    HB3  MET   1           HB1      MET   1 -10.065   1.743   6.380
    7    HG2  MET   1           HG2      MET   1 -10.377  -0.668   6.426
    8    HG3  MET   1           HG1      MET   1 -11.181   0.077   7.811
    9    HE1  MET   1           HE1      MET   1 -12.749  -1.970   8.370
   10    HE2  MET   1           HE2      MET   1 -11.863  -2.878   7.143
   11    HE3  MET   1           HE3      MET   1 -13.626  -2.881   7.141
   12    HA   PRO   2           HA       PRO   2 -11.743   6.520   6.114
   13    HB2  PRO   2           HB2      PRO   2 -10.496   7.554   8.231
   14    HB3  PRO   2           HB1      PRO   2 -12.033   6.705   8.467
   15    HG2  PRO   2           HG2      PRO   2  -9.239   5.775   9.049
   16    HG3  PRO   2           HG1      PRO   2 -10.740   5.439   9.936
   17    HD2  PRO   2           HD2      PRO   2  -9.486   3.783   7.932
   18    HD3  PRO   2           HD1      PRO   2 -11.056   3.508   8.723
   19    H    THR   3           HN       THR   3 -10.059   5.051   4.585
   20    HA   THR   3           HA       THR   3  -7.284   5.318   5.014
   21    HB   THR   3           HB       THR   3  -7.112   4.493   2.630
   22    HG1  THR   3           HG1      THR   3  -9.138   3.974   1.606
   23   HG21  THR   3          HG21      THR   3  -7.358   2.870   4.499
   24   HG22  THR   3          HG22      THR   3  -8.170   2.298   3.040
   25   HG23  THR   3          HG23      THR   3  -9.116   2.986   4.362
   26    H    LEU   4           HN       LEU   4  -9.254   6.831   2.391
   27    HA   LEU   4           HA       LEU   4  -7.381   8.787   1.614
   28    HB2  LEU   4           HB2      LEU   4 -10.418   8.909   1.426
   29    HB3  LEU   4           HB1      LEU   4  -9.309   9.947   0.540
   30    HG   LEU   4           HG       LEU   4  -9.584   6.934   0.176
   31   HD11  LEU   4          HD11      LEU   4 -10.616   7.454  -1.966
   32   HD12  LEU   4          HD12      LEU   4 -10.485   9.183  -1.649
   33   HD13  LEU   4          HD13      LEU   4 -11.540   8.178  -0.652
   34   HD21  LEU   4          HD21      LEU   4  -7.284   7.679  -0.275
   35   HD22  LEU   4          HD22      LEU   4  -7.881   8.913  -1.389
   36   HD23  LEU   4          HD23      LEU   4  -8.096   7.200  -1.762
   37    H    ASP   5           HN       ASP   5 -10.018   8.850   3.987
   38    HA   ASP   5           HA       ASP   5 -10.101  11.552   4.687
   39    HB2  ASP   5           HB2      ASP   5 -10.602   9.119   6.465
   40    HB3  ASP   5           HB1      ASP   5 -11.041  10.769   6.899
   41    H    ALA   6           HN       ALA   6  -8.040   8.983   5.963
   42    HA   ALA   6           HA       ALA   6  -6.680  10.623   7.898
   43    HB1  ALA   6           HB1      ALA   6  -7.002   8.207   8.275
   44    HB2  ALA   6           HB2      ALA   6  -5.288   8.623   8.284
   45    HB3  ALA   6           HB3      ALA   6  -5.999   7.842   6.868
   46    H    LEU   7           HN       LEU   7  -6.077   9.559   4.583
   47    HA   LEU   7           HA       LEU   7  -3.328  10.345   4.448
   48    HB2  LEU   7           HB2      LEU   7  -5.360   9.790   2.248
   49    HB3  LEU   7           HB1      LEU   7  -3.666  10.131   1.936
   50    HG   LEU   7           HG       LEU   7  -4.724   7.723   3.469
   51   HD11  LEU   7          HD11      LEU   7  -3.523   7.858   0.686
   52   HD12  LEU   7          HD12      LEU   7  -5.217   7.559   1.083
   53   HD13  LEU   7          HD13      LEU   7  -3.988   6.385   1.546
   54   HD21  LEU   7          HD21      LEU   7  -2.400   6.898   3.442
   55   HD22  LEU   7          HD22      LEU   7  -2.549   8.398   4.351
   56   HD23  LEU   7          HD23      LEU   7  -1.865   8.422   2.723
   57    H    THR   8           HN       THR   8  -6.392  12.033   3.896
   58    HA   THR   8           HA       THR   8  -5.586  14.075   2.199
   59    HB   THR   8           HB       THR   8  -7.779  14.166   4.315
   60    HG1  THR   8           HG1      THR   8  -8.478  12.751   2.862
   61   HG21  THR   8          HG21      THR   8  -8.767  16.015   3.008
   62   HG22  THR   8          HG22      THR   8  -7.350  16.040   1.961
   63   HG23  THR   8          HG23      THR   8  -7.192  16.478   3.662
   64    HA   PRO   9           HA       PRO   9  -4.336  16.960   5.966
   65    HB2  PRO   9           HB2      PRO   9  -3.813  15.789   8.405
   66    HB3  PRO   9           HB1      PRO   9  -5.398  16.440   7.963
   67    HG2  PRO   9           HG2      PRO   9  -4.419  13.588   7.838
   68    HG3  PRO   9           HG1      PRO   9  -5.951  14.214   8.491
   69    HD2  PRO   9           HD2      PRO   9  -5.840  13.129   6.028
   70    HD3  PRO   9           HD1      PRO   9  -6.883  14.529   6.358
   71    H    ILE  10           HN       ILE  10  -2.992  13.687   5.651
   72    HA   ILE  10           HA       ILE  10  -0.305  14.243   6.422
   73    HB   ILE  10           HB       ILE  10  -1.314  12.108   4.482
   74   HG12  ILE  10          HG12      ILE  10  -2.292  11.883   6.751
   75   HG13  ILE  10          HG11      ILE  10  -1.213  10.545   6.386
   76   HG21  ILE  10          HG21      ILE  10   0.828  10.913   4.918
   77   HG22  ILE  10          HG22      ILE  10   1.408  12.302   5.836
   78   HG23  ILE  10          HG23      ILE  10   1.075  12.460   4.112
   79   HD11  ILE  10          HD11      ILE  10  -0.966  11.272   8.668
   80   HD12  ILE  10          HD12      ILE  10  -0.574  12.909   8.148
   81   HD13  ILE  10          HD13      ILE  10   0.524  11.574   7.779
   82    H    PHE  11           HN       PHE  11  -1.880  14.094   3.217
   83    HA   PHE  11           HA       PHE  11   0.371  14.864   1.665
   84    HB2  PHE  11           HB2      PHE  11  -2.623  14.868   1.091
   85    HB3  PHE  11           HB1      PHE  11  -1.445  15.393  -0.105
   86    HD1  PHE  11           HD2      PHE  11  -1.673  12.431   2.243
   87    HD2  PHE  11           HD1      PHE  11  -1.168  13.780  -1.776
   88    HE1  PHE  11           HE2      PHE  11  -1.446  10.105   1.494
   89    HE2  PHE  11           HE1      PHE  11  -0.939  11.453  -2.510
   90    HZ   PHE  11           HZ       PHE  11  -1.077   9.610  -0.887
   91    H    ARG  12           HN       ARG  12  -2.342  16.680   3.083
   92    HA   ARG  12           HA       ARG  12  -1.757  19.229   2.050
   93    HB2  ARG  12           HB2      ARG  12  -3.173  18.397   4.606
   94    HB3  ARG  12           HB1      ARG  12  -3.069  20.076   4.073
   95    HG2  ARG  12           HG2      ARG  12  -4.273  19.501   1.993
   96    HG3  ARG  12           HG1      ARG  12  -4.370  17.816   2.511
   97    HD2  ARG  12           HD2      ARG  12  -5.736  18.480   4.449
   98    HD3  ARG  12           HD1      ARG  12  -5.609  20.177   3.965
   99    HE   ARG  12           HE       ARG  12  -6.709  18.395   1.971
  100   HH11  ARG  12          HH11      ARG  12  -7.461  20.634   4.567
  101   HH12  ARG  12          HH12      ARG  12  -9.103  20.839   4.066
  102   HH21  ARG  12          HH21      ARG  12  -8.836  18.690   1.304
  103   HH22  ARG  12          HH22      ARG  12  -9.893  19.723   2.211
  104    H    GLN  13           HN       GLN  13  -0.331  17.496   4.773
  105    HA   GLN  13           HA       GLN  13   1.181  19.735   5.766
  106    HB2  GLN  13           HB2      GLN  13   0.555  17.853   7.254
  107    HB3  GLN  13           HB1      GLN  13   1.477  16.732   6.263
  108    HG2  GLN  13           HG2      GLN  13   2.679  17.309   8.331
  109    HG3  GLN  13           HG1      GLN  13   3.574  17.835   6.906
  110   HE21  GLN  13          HE21      GLN  13   0.791  19.563   8.266
  111   HE22  GLN  13          HE22      GLN  13   1.679  20.937   8.807
  112    H    VAL  14           HN       VAL  14   2.009  16.786   3.913
  113    HA   VAL  14           HA       VAL  14   4.717  17.082   3.527
  114    HB   VAL  14           HB       VAL  14   2.630  15.848   1.675
  115   HG11  VAL  14          HG11      VAL  14   4.612  16.310   0.306
  116   HG12  VAL  14          HG12      VAL  14   4.472  14.575   0.590
  117   HG13  VAL  14          HG13      VAL  14   5.652  15.523   1.498
  118   HG21  VAL  14          HG21      VAL  14   3.362  13.706   2.658
  119   HG22  VAL  14          HG22      VAL  14   2.775  14.808   3.901
  120   HG23  VAL  14          HG23      VAL  14   4.508  14.565   3.692
  121    H    PHE  15           HN       PHE  15   2.193  18.137   1.239
  122    HA   PHE  15           HA       PHE  15   4.113  19.498  -0.465
  123    HB2  PHE  15           HB2      PHE  15   1.079  19.349  -0.691
  124    HB3  PHE  15           HB1      PHE  15   2.183  19.905  -1.943
  125    HD1  PHE  15           HD2      PHE  15   3.914  18.186  -2.857
  126    HD2  PHE  15           HD1      PHE  15   0.481  17.051  -0.582
  127    HE1  PHE  15           HE2      PHE  15   4.093  15.884  -3.696
  128    HE2  PHE  15           HE1      PHE  15   0.683  14.757  -1.418
  129    HZ   PHE  15           HZ       PHE  15   2.490  14.169  -2.978
  130    H    ASP  16           HN       ASP  16   2.256  20.265   2.270
  131    HA   ASP  16           HA       ASP  16   1.803  22.087   3.472
  132    HB2  ASP  16           HB2      ASP  16   4.251  22.482   3.262
  133    HB3  ASP  16           HB1      ASP  16   3.973  23.425   1.805
  134    H    ASP  17           HN       ASP  17  -0.162  21.753   2.162
  135    HA   ASP  17           HA       ASP  17  -1.246  24.276   1.405
  136    HB2  ASP  17           HB2      ASP  17  -0.208  23.707  -0.775
  137    HB3  ASP  17           HB1      ASP  17  -1.022  22.141  -0.775
  138    H    ASP  18           HN       ASP  18  -3.205  24.246   2.294
  139    HA   ASP  18           HA       ASP  18  -4.457  21.741   3.116
  140    HB2  ASP  18           HB2      ASP  18  -4.224  23.654   4.727
  141    HB3  ASP  18           HB1      ASP  18  -5.283  24.622   3.709
  142    H    SER  19           HN       SER  19  -4.612  23.770   0.425
  143    HA   SER  19           HA       SER  19  -7.439  23.501  -0.159
  144    HB2  SER  19           HB2      SER  19  -5.158  24.437  -1.953
  145    HB3  SER  19           HB1      SER  19  -6.886  24.626  -2.284
  146    HG   SER  19           HG       SER  19  -6.490  25.608   0.119
  147    H    ILE  20           HN       ILE  20  -4.706  21.468  -0.490
  148    HA   ILE  20           HA       ILE  20  -5.344  19.870  -2.704
  149    HB   ILE  20           HB       ILE  20  -4.077  19.018  -0.063
  150   HG12  ILE  20          HG12      ILE  20  -2.751  19.792  -2.701
  151   HG13  ILE  20          HG11      ILE  20  -2.841  20.818  -1.273
  152   HG21  ILE  20          HG21      ILE  20  -4.067  17.514  -2.713
  153   HG22  ILE  20          HG22      ILE  20  -4.898  17.020  -1.237
  154   HG23  ILE  20          HG23      ILE  20  -3.138  17.067  -1.277
  155   HD11  ILE  20          HD11      ILE  20  -1.376  18.194  -1.482
  156   HD12  ILE  20          HD12      ILE  20  -1.476  19.205  -0.036
  157   HD13  ILE  20          HD13      ILE  20  -0.667  19.807  -1.483
  158    H    VAL  21           HN       VAL  21  -7.140  18.742  -3.110
  159    HA   VAL  21           HA       VAL  21  -8.680  17.490  -0.911
  160    HB   VAL  21           HB       VAL  21  -9.805  18.645  -3.518
  161   HG11  VAL  21          HG11      VAL  21 -12.037  18.038  -2.620
  162   HG12  VAL  21          HG12      VAL  21 -11.269  17.266  -1.231
  163   HG13  VAL  21          HG13      VAL  21 -11.024  16.611  -2.851
  164   HG21  VAL  21          HG21      VAL  21 -10.192  19.615  -0.653
  165   HG22  VAL  21          HG22      VAL  21 -11.001  20.271  -2.078
  166   HG23  VAL  21          HG23      VAL  21  -9.254  20.433  -1.908
  167    H    LEU  22           HN       LEU  22  -8.110  15.410  -1.024
  168    HA   LEU  22           HA       LEU  22  -7.057  14.193  -3.412
  169    HB2  LEU  22           HB2      LEU  22  -7.680  13.010  -0.677
  170    HB3  LEU  22           HB1      LEU  22  -6.885  12.131  -1.976
  171    HG   LEU  22           HG       LEU  22  -5.769  14.556  -0.509
  172   HD11  LEU  22          HD11      LEU  22  -5.727  12.481   0.812
  173   HD12  LEU  22          HD12      LEU  22  -4.106  13.004   0.373
  174   HD13  LEU  22          HD13      LEU  22  -4.859  11.658  -0.486
  175   HD21  LEU  22          HD21      LEU  22  -5.067  14.619  -2.865
  176   HD22  LEU  22          HD22      LEU  22  -4.503  12.948  -2.767
  177   HD23  LEU  22          HD23      LEU  22  -3.706  14.210  -1.823
  178    H    THR  23           HN       THR  23  -7.965  12.766  -4.717
  179    HA   THR  23           HA       THR  23 -10.505  11.420  -4.026
  180    HB   THR  23           HB       THR  23 -10.939  11.193  -6.502
  181    HG1  THR  23           HG1      THR  23  -9.726  12.665  -7.890
  182   HG21  THR  23          HG21      THR  23 -10.746  14.095  -5.589
  183   HG22  THR  23          HG22      THR  23 -12.098  13.003  -5.276
  184   HG23  THR  23          HG23      THR  23 -11.728  13.493  -6.928
  185    H    ARG  24           HN       ARG  24 -10.480   9.232  -5.439
  186    HA   ARG  24           HA       ARG  24  -8.140   7.810  -4.684
  187    HB2  ARG  24           HB2      ARG  24 -10.384   6.936  -6.539
  188    HB3  ARG  24           HB1      ARG  24  -9.143   5.875  -5.866
  189    HG2  ARG  24           HG2      ARG  24  -9.947   6.617  -3.554
  190    HG3  ARG  24           HG1      ARG  24 -11.319   7.358  -4.378
  191    HD2  ARG  24           HD2      ARG  24 -10.581   4.423  -4.372
  192    HD3  ARG  24           HD1      ARG  24 -11.925   5.170  -3.510
  193    HE   ARG  24           HE       ARG  24 -12.704   5.813  -5.865
  194   HH11  ARG  24          HH11      ARG  24 -11.023   2.806  -5.135
  195   HH12  ARG  24          HH12      ARG  24 -11.778   1.935  -6.429
  196   HH21  ARG  24          HH21      ARG  24 -13.694   4.659  -7.536
  197   HH22  ARG  24          HH22      ARG  24 -13.280   2.995  -7.807
  198    H    GLU  25           HN       GLU  25  -9.254   9.095  -7.836
  199    HA   GLU  25           HA       GLU  25  -7.100   7.806  -9.286
  200    HB2  GLU  25           HB2      GLU  25  -9.255   9.769 -10.170
  201    HB3  GLU  25           HB1      GLU  25  -8.101   9.006 -11.262
  202    HG2  GLU  25           HG2      GLU  25  -8.995   6.796 -10.734
  203    HG3  GLU  25           HG1      GLU  25 -10.081   7.486  -9.532
  204    H    THR  26           HN       THR  26  -6.987  10.380  -7.263
  205    HA   THR  26           HA       THR  26  -5.438  12.326  -8.576
  206    HB   THR  26           HB       THR  26  -5.453  11.493  -5.641
  207    HG1  THR  26           HG1      THR  26  -7.255  12.708  -7.130
  208   HG21  THR  26          HG21      THR  26  -3.390  12.771  -6.096
  209   HG22  THR  26          HG22      THR  26  -4.520  13.734  -5.148
  210   HG23  THR  26          HG23      THR  26  -4.345  14.047  -6.872
  211    H    SER  27           HN       SER  27  -3.862  11.420  -9.872
  212    HA   SER  27           HA       SER  27  -1.704   9.801  -8.723
  213    HB2  SER  27           HB2      SER  27  -2.019  10.858 -11.575
  214    HB3  SER  27           HB1      SER  27  -0.939   9.568 -11.031
  215    HG   SER  27           HG       SER  27  -3.748   9.398 -10.697
  216    H    ALA  28           HN       ALA  28   0.601  10.598  -9.370
  217    HA   ALA  28           HA       ALA  28   1.195  13.175  -8.481
  218    HB1  ALA  28           HB1      ALA  28   2.842  11.444 -10.321
  219    HB2  ALA  28           HB2      ALA  28   2.804  11.333  -8.562
  220    HB3  ALA  28           HB3      ALA  28   3.436  12.785  -9.341
  221    H    ASN  29           HN       ASN  29  -0.065  12.267 -11.533
  222    HA   ASN  29           HA       ASN  29   0.754  14.569 -13.056
  223    HB2  ASN  29           HB2      ASN  29   0.094  12.391 -14.099
  224    HB3  ASN  29           HB1      ASN  29  -1.556  12.634 -13.542
  225   HD21  ASN  29          HD21      ASN  29  -2.869  14.158 -14.634
  226   HD22  ASN  29          HD22      ASN  29  -2.417  14.822 -16.164
  227    H    ASP  30           HN       ASP  30  -1.906  13.757 -10.893
  228    HA   ASP  30           HA       ASP  30  -3.717  15.851 -11.568
  229    HB2  ASP  30           HB2      ASP  30  -4.445  13.793 -10.405
  230    HB3  ASP  30           HB1      ASP  30  -3.440  14.191  -9.017
  231    H    ILE  31           HN       ILE  31  -0.901  15.668  -9.516
  232    HA   ILE  31           HA       ILE  31  -1.386  18.385  -8.433
  233    HB   ILE  31           HB       ILE  31   0.084  16.070  -7.067
  234   HG12  ILE  31          HG12      ILE  31  -2.534  17.473  -6.325
  235   HG13  ILE  31          HG11      ILE  31  -2.368  15.817  -6.900
  236   HG21  ILE  31          HG21      ILE  31  -0.289  18.925  -6.071
  237   HG22  ILE  31          HG22      ILE  31   1.227  18.204  -6.616
  238   HG23  ILE  31          HG23      ILE  31   0.443  17.602  -5.157
  239   HD11  ILE  31          HD11      ILE  31  -1.360  16.898  -4.265
  240   HD12  ILE  31          HD12      ILE  31  -1.169  15.236  -4.830
  241   HD13  ILE  31          HD13      ILE  31  -2.779  15.885  -4.513
  242    H    ASP  32           HN       ASP  32  -0.101  19.716  -9.562
  243    HA   ASP  32           HA       ASP  32   2.063  18.856 -11.195
  244    HB2  ASP  32           HB2      ASP  32   1.265  21.689 -10.394
  245    HB3  ASP  32           HB1      ASP  32   2.429  21.292 -11.654
  246    H    ALA  33           HN       ALA  33   1.918  20.091  -7.952
  247    HA   ALA  33           HA       ALA  33   4.734  20.626  -7.663
  248    HB1  ALA  33           HB1      ALA  33   3.042  21.800  -6.304
  249    HB2  ALA  33           HB2      ALA  33   4.203  20.948  -5.284
  250    HB3  ALA  33           HB3      ALA  33   2.589  20.277  -5.537
  251    H    TRP  34           HN       TRP  34   2.961  17.692  -7.776
  252    HA   TRP  34           HA       TRP  34   4.479  16.235  -5.765
  253    HB2  TRP  34           HB2      TRP  34   1.989  15.901  -6.362
  254    HB3  TRP  34           HB1      TRP  34   2.537  15.071  -7.806
  255    HD1  TRP  34           HD1      TRP  34   4.940  13.765  -5.507
  256    HE1  TRP  34           HE1      TRP  34   4.136  11.610  -4.361
  257    HE3  TRP  34           HE3      TRP  34  -0.064  14.102  -6.523
  258    HZ2  TRP  34           HZ2      TRP  34   1.730  10.238  -3.930
  259    HZ3  TRP  34           HZ3      TRP  34  -1.553  12.318  -5.713
  260    HH2  TRP  34           HH2      TRP  34  -0.672  10.424  -4.442
  261    H    ASP  35           HN       ASP  35   6.492  16.949  -6.984
  262    HA   ASP  35           HA       ASP  35   7.442  15.409  -9.201
  263    HB2  ASP  35           HB2      ASP  35   8.420  17.606  -8.519
  264    HB3  ASP  35           HB1      ASP  35   8.966  16.899  -7.003
  265    H    SER  36           HN       SER  36   9.310  13.799  -8.962
  266    HA   SER  36           HA       SER  36   8.804  11.565  -7.440
  267    HB2  SER  36           HB2      SER  36  11.629  12.378  -8.208
  268    HB3  SER  36           HB1      SER  36  10.921  10.758  -8.178
  269    H    LEU  37           HN       LEU  37  10.843  14.328  -6.623
  270    HA   LEU  37           HA       LEU  37  11.937  13.450  -4.164
  271    HB2  LEU  37           HB2      LEU  37  12.649  15.440  -5.616
  272    HB3  LEU  37           HB1      LEU  37  11.294  16.327  -4.962
  273    HG   LEU  37           HG       LEU  37  13.597  16.850  -3.983
  274   HD11  LEU  37          HD11      LEU  37  11.482  16.052  -1.977
  275   HD12  LEU  37          HD12      LEU  37  11.598  17.591  -2.831
  276   HD13  LEU  37          HD13      LEU  37  12.851  17.131  -1.683
  277   HD21  LEU  37          HD21      LEU  37  14.449  14.555  -3.853
  278   HD22  LEU  37          HD22      LEU  37  13.273  14.176  -2.589
  279   HD23  LEU  37          HD23      LEU  37  14.538  15.371  -2.295
  280    H    SER  38           HN       SER  38   8.922  15.121  -4.979
  281    HA   SER  38           HA       SER  38   7.994  15.618  -2.341
  282    HB2  SER  38           HB2      SER  38   6.272  15.290  -4.828
  283    HB3  SER  38           HB1      SER  38   5.911  16.243  -3.387
  284    HG   SER  38           HG       SER  38   8.241  17.063  -4.373
  285    H    HIS  39           HN       HIS  39   7.616  12.873  -4.564
  286    HA   HIS  39           HA       HIS  39   5.866  11.239  -3.076
  287    HB2  HIS  39           HB2      HIS  39   8.150  10.446  -4.935
  288    HB3  HIS  39           HB1      HIS  39   7.098   9.254  -4.182
  289    HD2  HIS  39           HD2      HIS  39   7.036  11.893  -7.008
  290    HE1  HIS  39           HE1      HIS  39   3.470   9.659  -7.115
  291    HE2  HIS  39           HE2      HIS  39   4.802  11.502  -8.217
  292    H    MET  40           HN       MET  40   9.391  11.618  -2.868
  293    HA   MET  40           HA       MET  40   9.897   9.635  -0.937
  294    HB2  MET  40           HB2      MET  40  11.420  12.219  -1.480
  295    HB3  MET  40           HB1      MET  40  12.013  10.906  -0.463
  296    HG2  MET  40           HG2      MET  40  11.506  10.845  -3.439
  297    HG3  MET  40           HG1      MET  40  13.052  10.696  -2.599
  298    HE1  MET  40           HE1      MET  40  12.568   7.144  -0.854
  299    HE2  MET  40           HE2      MET  40  12.052   8.670  -0.144
  300    HE3  MET  40           HE3      MET  40  13.610   8.562  -0.973
  301    H    ASN  41           HN       ASN  41   9.249  13.098  -0.605
  302    HA   ASN  41           HA       ASN  41   9.293  13.364   2.193
  303    HB2  ASN  41           HB2      ASN  41   7.566  14.882   0.181
  304    HB3  ASN  41           HB1      ASN  41   7.925  15.411   1.823
  305   HD21  ASN  41          HD21      ASN  41   8.426  16.755  -0.686
  306   HD22  ASN  41          HD22      ASN  41  10.124  17.053  -0.750
  307    H    LEU  42           HN       LEU  42   6.700  12.529  -0.040
  308    HA   LEU  42           HA       LEU  42   4.513  12.496   1.702
  309    HB2  LEU  42           HB2      LEU  42   4.527  12.597  -0.840
  310    HB3  LEU  42           HB1      LEU  42   4.869  10.882  -0.863
  311    HG   LEU  42           HG       LEU  42   2.448  11.644  -1.323
  312   HD11  LEU  42          HD11      LEU  42   2.974   9.300  -0.916
  313   HD12  LEU  42          HD12      LEU  42   1.418   9.729  -0.210
  314   HD13  LEU  42          HD13      LEU  42   2.838   9.550   0.826
  315   HD21  LEU  42          HD21      LEU  42   2.401  12.019   1.688
  316   HD22  LEU  42          HD22      LEU  42   1.022  12.115   0.591
  317   HD23  LEU  42          HD23      LEU  42   2.311  13.307   0.482
  318    H    ILE  43           HN       ILE  43   6.650   9.866   0.640
  319    HA   ILE  43           HA       ILE  43   5.199   7.791   1.951
  320    HB   ILE  43           HB       ILE  43   7.957   7.845   0.668
  321   HG12  ILE  43          HG12      ILE  43   6.080   8.012  -0.902
  322   HG13  ILE  43          HG11      ILE  43   6.843   6.438  -1.072
  323   HG21  ILE  43          HG21      ILE  43   8.018   5.363   0.849
  324   HG22  ILE  43          HG22      ILE  43   6.578   5.410   1.869
  325   HG23  ILE  43          HG23      ILE  43   8.083   6.143   2.431
  326   HD11  ILE  43          HD11      ILE  43   4.248   7.021   0.360
  327   HD12  ILE  43          HD12      ILE  43   5.019   5.437   0.254
  328   HD13  ILE  43          HD13      ILE  43   4.441   6.236  -1.207
  329    H    VAL  44           HN       VAL  44   8.256   9.528   2.767
  330    HA   VAL  44           HA       VAL  44   8.759   8.029   5.111
  331    HB   VAL  44           HB       VAL  44  10.355   9.775   5.760
  332   HG11  VAL  44          HG11      VAL  44  11.860   9.620   3.804
  333   HG12  VAL  44          HG12      VAL  44  10.510   9.063   2.813
  334   HG13  VAL  44          HG13      VAL  44  11.084   8.074   4.159
  335   HG21  VAL  44          HG21      VAL  44   9.129  11.799   5.100
  336   HG22  VAL  44          HG22      VAL  44   9.323  11.380   3.398
  337   HG23  VAL  44          HG23      VAL  44  10.737  11.778   4.375
  338    H    SER  45           HN       SER  45   6.702  10.821   4.545
  339    HA   SER  45           HA       SER  45   5.971  11.389   7.225
  340    HB2  SER  45           HB2      SER  45   4.353  11.661   4.662
  341    HB3  SER  45           HB1      SER  45   3.846  12.312   6.220
  342    HG   SER  45           HG       SER  45   5.632  13.289   4.425
  343    H    LEU  46           HN       LEU  46   4.607   9.071   4.843
  344    HA   LEU  46           HA       LEU  46   2.507   8.080   6.479
  345    HB2  LEU  46           HB2      LEU  46   3.966   6.721   4.175
  346    HB3  LEU  46           HB1      LEU  46   2.472   6.131   4.895
  347    HG   LEU  46           HG       LEU  46   2.796   8.765   3.391
  348   HD11  LEU  46          HD11      LEU  46   2.911   6.866   1.878
  349   HD12  LEU  46          HD12      LEU  46   1.397   7.738   1.652
  350   HD13  LEU  46          HD13      LEU  46   1.413   6.207   2.536
  351   HD21  LEU  46          HD21      LEU  46   0.286   7.526   4.569
  352   HD22  LEU  46          HD22      LEU  46   0.348   8.966   3.548
  353   HD23  LEU  46          HD23      LEU  46   1.103   8.985   5.139
  354    H    GLU  47           HN       GLU  47   5.883   7.171   6.103
  355    HA   GLU  47           HA       GLU  47   5.937   4.734   7.506
  356    HB2  GLU  47           HB2      GLU  47   8.190   6.784   7.251
  357    HB3  GLU  47           HB1      GLU  47   8.386   5.086   7.676
  358    HG2  GLU  47           HG2      GLU  47   7.365   6.115   5.019
  359    HG3  GLU  47           HG1      GLU  47   9.015   5.625   5.327
  360    H    VAL  48           HN       VAL  48   6.741   8.062   8.642
  361    HA   VAL  48           HA       VAL  48   7.218   7.203  11.318
  362    HB   VAL  48           HB       VAL  48   7.438   9.606  11.892
  363   HG11  VAL  48          HG11      VAL  48   9.410  10.080  10.494
  364   HG12  VAL  48          HG12      VAL  48   8.906   8.836   9.347
  365   HG13  VAL  48          HG13      VAL  48   9.369   8.384  10.988
  366   HG21  VAL  48          HG21      VAL  48   5.701  10.576  10.432
  367   HG22  VAL  48          HG22      VAL  48   6.654  10.164   9.007
  368   HG23  VAL  48          HG23      VAL  48   7.258  11.359  10.158
  369    H    HIS  49           HN       HIS  49   4.420   8.863   9.804
  370    HA   HIS  49           HA       HIS  49   2.976   9.336  12.194
  371    HB2  HIS  49           HB2      HIS  49   2.148   9.295   9.274
  372    HB3  HIS  49           HB1      HIS  49   0.955   9.550  10.539
  373    HD1  HIS  49           HD1      HIS  49   0.752  11.874  11.488
  374    HD2  HIS  49           HD2      HIS  49   4.123  11.444   9.104
  375    HE1  HIS  49           HE1      HIS  49   1.649  14.195  11.169
  376    HE2  HIS  49           HE2      HIS  49   3.729  13.902   9.776
  377    H    TYR  50           HN       TYR  50   2.529   6.752   9.727
  378    HA   TYR  50           HA       TYR  50   0.509   5.439  11.421
  379    HB2  TYR  50           HB2      TYR  50   1.430   4.781   8.598
  380    HB3  TYR  50           HB1      TYR  50   0.097   3.999   9.439
  381    HD1  TYR  50           HD1      TYR  50  -2.028   5.252   9.860
  382    HD2  TYR  50           HD2      TYR  50   1.158   6.979   7.595
  383    HE1  TYR  50           HE1      TYR  50  -3.573   6.949   8.977
  384    HE2  TYR  50           HE2      TYR  50  -0.391   8.669   6.719
  385    HH   TYR  50           HH       TYR  50  -2.819   8.913   6.340
  386    H    LYS  51           HN       LYS  51   3.818   5.274  11.128
  387    HA   LYS  51           HA       LYS  51   5.464   3.866  11.685
  388    HB2  LYS  51           HB2      LYS  51   3.275   2.403  13.226
  389    HB3  LYS  51           HB1      LYS  51   4.982   2.016  13.352
  390    HG2  LYS  51           HG2      LYS  51   4.555   3.332  15.250
  391    HG3  LYS  51           HG1      LYS  51   5.333   4.444  14.124
  392    HD2  LYS  51           HD2      LYS  51   3.077   5.332  13.499
  393    HD3  LYS  51           HD1      LYS  51   2.346   4.246  14.684
  394    HE2  LYS  51           HE2      LYS  51   2.536   6.502  15.605
  395    HE3  LYS  51           HE1      LYS  51   3.594   5.404  16.491
  396    HZ1  LYS  51           HZ1      LYS  51   4.714   7.466  16.022
  397    HZ2  LYS  51           HZ2      LYS  51   4.425   7.306  14.366
  398    HZ3  LYS  51           HZ3      LYS  51   5.457   6.221  15.151
  399    H    ILE  52           HN       ILE  52   4.154   3.450   9.146
  400    HA   ILE  52           HA       ILE  52   4.076   0.510   8.780
  401    HB   ILE  52           HB       ILE  52   2.777   0.921   6.705
  402   HG12  ILE  52          HG12      ILE  52   2.852   3.862   7.535
  403   HG13  ILE  52          HG11      ILE  52   3.573   3.172   6.084
  404   HG21  ILE  52          HG21      ILE  52   1.525   2.198   9.162
  405   HG22  ILE  52          HG22      ILE  52   1.593   0.471   8.813
  406   HG23  ILE  52          HG23      ILE  52   0.645   1.539   7.779
  407   HD11  ILE  52          HD11      ILE  52   0.622   3.376   6.697
  408   HD12  ILE  52          HD12      ILE  52   1.311   2.613   5.261
  409   HD13  ILE  52          HD13      ILE  52   1.535   4.341   5.538
  410    H    LYS  53           HN       LYS  53   4.488   0.180   6.149
  411    HA   LYS  53           HA       LYS  53   7.208   1.197   5.602
  412    HB2  LYS  53           HB2      LYS  53   7.506  -0.909   6.762
  413    HB3  LYS  53           HB1      LYS  53   6.292  -1.714   5.785
  414    HG2  LYS  53           HG2      LYS  53   8.736  -0.617   4.413
  415    HG3  LYS  53           HG1      LYS  53   8.913  -2.076   5.387
  416    HD2  LYS  53           HD2      LYS  53   7.175  -3.202   4.011
  417    HD3  LYS  53           HD1      LYS  53   6.987  -1.736   3.044
  418    HE2  LYS  53           HE2      LYS  53   9.326  -1.932   2.290
  419    HE3  LYS  53           HE1      LYS  53   9.521  -3.400   3.255
  420    HZ1  LYS  53           HZ1      LYS  53   9.080  -3.911   0.943
  421    HZ2  LYS  53           HZ2      LYS  53   7.632  -3.041   0.991
  422    HZ3  LYS  53           HZ3      LYS  53   7.800  -4.442   1.913
  423    H    PHE  54           HN       PHE  54   7.380   1.898   3.498
  424    HA   PHE  54           HA       PHE  54   6.025   0.281   1.396
  425    HB2  PHE  54           HB2      PHE  54   6.616   3.283   1.226
  426    HB3  PHE  54           HB1      PHE  54   5.996   2.287  -0.087
  427    HD1  PHE  54           HD2      PHE  54   3.662   1.351   0.012
  428    HD2  PHE  54           HD1      PHE  54   5.159   4.061   2.988
  429    HE1  PHE  54           HE2      PHE  54   1.373   1.793   0.790
  430    HE2  PHE  54           HE1      PHE  54   2.856   4.467   3.742
  431    HZ   PHE  54           HZ       PHE  54   0.977   3.335   2.648
  432    H    ALA  55           HN       ALA  55   7.250  -0.360  -0.252
  433    HA   ALA  55           HA       ALA  55  10.126   0.319  -0.332
  434    HB1  ALA  55           HB1      ALA  55   9.664  -2.090  -0.084
  435    HB2  ALA  55           HB2      ALA  55  10.370  -1.754  -1.664
  436    HB3  ALA  55           HB3      ALA  55   8.637  -2.056  -1.523
  437    H    LEU  56           HN       LEU  56  11.001   0.757  -2.480
  438    HA   LEU  56           HA       LEU  56   9.373   2.650  -3.915
  439    HB2  LEU  56           HB2      LEU  56  11.952   2.679  -3.533
  440    HB3  LEU  56           HB1      LEU  56  12.067   1.545  -4.853
  441    HG   LEU  56           HG       LEU  56  12.593   3.972  -5.413
  442   HD11  LEU  56          HD11      LEU  56  12.128   2.409  -7.203
  443   HD12  LEU  56          HD12      LEU  56  11.517   4.014  -7.592
  444   HD13  LEU  56          HD13      LEU  56  10.402   2.743  -7.083
  445   HD21  LEU  56          HD21      LEU  56  10.849   5.034  -4.062
  446   HD22  LEU  56          HD22      LEU  56   9.605   4.391  -5.137
  447   HD23  LEU  56          HD23      LEU  56  10.779   5.564  -5.740
  448    H    GLY  57           HN       GLY  57  10.281  -0.738  -4.423
  449    HA2  GLY  57           HA2      GLY  57   9.325  -1.184  -7.025
  450    HA3  GLY  57           HA1      GLY  57   9.334  -2.372  -5.728
  451    H    GLU  58           HN       GLU  58   7.586  -1.117  -3.913
  452    HA   GLU  58           HA       GLU  58   4.987  -1.722  -4.898
  453    HB2  GLU  58           HB2      GLU  58   5.733  -0.106  -2.415
  454    HB3  GLU  58           HB1      GLU  58   4.146  -0.797  -2.754
  455    HG2  GLU  58           HG2      GLU  58   5.154  -3.075  -2.675
  456    HG3  GLU  58           HG1      GLU  58   6.708  -2.350  -2.255
  457    H    LEU  59           HN       LEU  59   6.752   1.321  -4.422
  458    HA   LEU  59           HA       LEU  59   4.745   3.200  -4.978
  459    HB2  LEU  59           HB2      LEU  59   7.754   3.242  -5.071
  460    HB3  LEU  59           HB1      LEU  59   6.922   4.564  -5.856
  461    HG   LEU  59           HG       LEU  59   7.622   5.161  -3.575
  462   HD11  LEU  59          HD11      LEU  59   5.493   6.057  -2.797
  463   HD12  LEU  59          HD12      LEU  59   4.619   4.992  -3.896
  464   HD13  LEU  59          HD13      LEU  59   5.683   6.249  -4.535
  465   HD21  LEU  59          HD21      LEU  59   6.570   4.155  -1.596
  466   HD22  LEU  59          HD22      LEU  59   7.522   2.977  -2.496
  467   HD23  LEU  59          HD23      LEU  59   5.762   2.963  -2.624
  468    H    GLN  60           HN       GLN  60   6.825   1.401  -7.195
  469    HA   GLN  60           HA       GLN  60   6.101   2.808  -9.570
  470    HB2  GLN  60           HB2      GLN  60   7.161  -0.025  -9.281
  471    HB3  GLN  60           HB1      GLN  60   7.156   0.924 -10.765
  472    HG2  GLN  60           HG2      GLN  60   8.685   1.704  -8.270
  473    HG3  GLN  60           HG1      GLN  60   9.368   0.740  -9.568
  474   HE21  GLN  60          HE21      GLN  60   7.287   3.637 -10.111
  475   HE22  GLN  60          HE22      GLN  60   8.552   4.592 -10.769
  476    H    LYS  61           HN       LYS  61   4.567   0.293  -7.737
  477    HA   LYS  61           HA       LYS  61   2.560  -0.280  -9.812
  478    HB2  LYS  61           HB2      LYS  61   2.896  -1.494  -7.028
  479    HB3  LYS  61           HB1      LYS  61   1.764  -2.039  -8.268
  480    HG2  LYS  61           HG2      LYS  61   4.797  -2.158  -8.413
  481    HG3  LYS  61           HG1      LYS  61   3.698  -3.519  -8.167
  482    HD2  LYS  61           HD2      LYS  61   2.755  -3.188 -10.421
  483    HD3  LYS  61           HD1      LYS  61   3.790  -1.780 -10.666
  484    HE2  LYS  61           HE2      LYS  61   5.790  -3.252 -10.482
  485    HE3  LYS  61           HE1      LYS  61   4.720  -4.649 -10.318
  486    HZ1  LYS  61           HZ1      LYS  61   3.839  -4.213 -12.499
  487    HZ2  LYS  61           HZ2      LYS  61   5.521  -4.332 -12.587
  488    HZ3  LYS  61           HZ3      LYS  61   4.783  -2.817 -12.651
  489    H    LEU  62           HN       LEU  62   3.012   1.882  -7.239
  490    HA   LEU  62           HA       LEU  62   0.164   2.318  -6.680
  491    HB2  LEU  62           HB2      LEU  62   2.658   3.801  -5.713
  492    HB3  LEU  62           HB1      LEU  62   1.015   4.172  -5.203
  493    HG   LEU  62           HG       LEU  62   2.486   1.568  -4.659
  494   HD11  LEU  62          HD11      LEU  62   2.517   2.245  -2.308
  495   HD12  LEU  62          HD12      LEU  62   1.771   3.788  -2.727
  496   HD13  LEU  62          HD13      LEU  62   3.388   3.402  -3.316
  497   HD21  LEU  62          HD21      LEU  62  -0.284   2.418  -3.751
  498   HD22  LEU  62          HD22      LEU  62   0.565   0.942  -3.285
  499   HD23  LEU  62          HD23      LEU  62   0.087   1.181  -4.957
  500    H    LYS  63           HN       LYS  63  -0.848   3.206  -8.409
  501    HA   LYS  63           HA       LYS  63   0.535   5.098 -10.157
  502    HB2  LYS  63           HB2      LYS  63  -0.851   3.087 -10.971
  503    HB3  LYS  63           HB1      LYS  63  -2.287   3.987 -10.505
  504    HG2  LYS  63           HG2      LYS  63  -0.270   5.143 -12.453
  505    HG3  LYS  63           HG1      LYS  63  -1.498   4.001 -12.995
  506    HD2  LYS  63           HD2      LYS  63  -3.282   5.509 -12.312
  507    HD3  LYS  63           HD1      LYS  63  -2.125   6.622 -11.581
  508    HE2  LYS  63           HE2      LYS  63  -1.168   7.089 -13.816
  509    HE3  LYS  63           HE1      LYS  63  -2.335   5.975 -14.543
  510    HZ1  LYS  63           HZ1      LYS  63  -3.005   8.447 -13.038
  511    HZ2  LYS  63           HZ2      LYS  63  -4.120   7.385 -13.739
  512    HZ3  LYS  63           HZ3      LYS  63  -3.061   8.269 -14.717
  513    H    ASN  64           HN       ASN  64  -1.922   5.066  -7.657
  514    HA   ASN  64           HA       ASN  64  -1.984   7.961  -7.555
  515    HB2  ASN  64           HB2      ASN  64  -4.552   8.022  -7.740
  516    HB3  ASN  64           HB1      ASN  64  -3.671   7.777  -9.242
  517   HD21  ASN  64          HD21      ASN  64  -3.913   5.896 -10.349
  518   HD22  ASN  64          HD22      ASN  64  -5.044   4.665  -9.936
  519    H    VAL  65           HN       VAL  65  -3.850   8.611  -5.883
  520    HA   VAL  65           HA       VAL  65  -3.059   7.564  -3.350
  521    HB   VAL  65           HB       VAL  65  -5.400   9.443  -3.957
  522   HG11  VAL  65          HG11      VAL  65  -3.844   9.087  -1.359
  523   HG12  VAL  65          HG12      VAL  65  -5.489   8.527  -1.658
  524   HG13  VAL  65          HG13      VAL  65  -5.143  10.255  -1.638
  525   HG21  VAL  65          HG21      VAL  65  -2.510  10.173  -3.326
  526   HG22  VAL  65          HG22      VAL  65  -3.846  11.314  -3.516
  527   HG23  VAL  65          HG23      VAL  65  -3.309  10.350  -4.889
  528    H    GLY  66           HN       GLY  66  -5.526   6.648  -5.551
  529    HA2  GLY  66           HA2      GLY  66  -7.331   5.314  -3.767
  530    HA3  GLY  66           HA1      GLY  66  -7.198   5.073  -5.508
  531    H    ASP  67           HN       ASP  67  -4.531   4.332  -5.731
  532    HA   ASP  67           HA       ASP  67  -4.404   1.635  -4.881
  533    HB2  ASP  67           HB2      ASP  67  -2.131   3.496  -5.729
  534    HB3  ASP  67           HB1      ASP  67  -1.972   1.754  -5.527
  535    H    LEU  68           HN       LEU  68  -3.010   4.653  -3.539
  536    HA   LEU  68           HA       LEU  68  -1.747   3.508  -1.286
  537    HB2  LEU  68           HB2      LEU  68  -2.665   6.307  -1.939
  538    HB3  LEU  68           HB1      LEU  68  -2.236   5.954  -0.283
  539    HG   LEU  68           HG       LEU  68  -0.348   6.982  -1.350
  540   HD11  LEU  68          HD11      LEU  68   1.400   5.323  -0.974
  541   HD12  LEU  68          HD12      LEU  68   0.199   4.031  -0.975
  542   HD13  LEU  68          HD13      LEU  68   0.168   5.267   0.286
  543   HD21  LEU  68          HD21      LEU  68   0.780   6.059  -3.327
  544   HD22  LEU  68          HD22      LEU  68  -0.886   6.507  -3.689
  545   HD23  LEU  68          HD23      LEU  68  -0.462   4.809  -3.463
  546    H    ALA  69           HN       ALA  69  -5.150   4.374  -1.813
  547    HA   ALA  69           HA       ALA  69  -5.976   4.370   0.893
  548    HB1  ALA  69           HB1      ALA  69  -8.258   4.081   0.064
  549    HB2  ALA  69           HB2      ALA  69  -7.644   3.634  -1.536
  550    HB3  ALA  69           HB3      ALA  69  -7.393   5.267  -0.919
  551    H    ASP  70           HN       ASP  70  -6.080   1.836  -1.582
  552    HA   ASP  70           HA       ASP  70  -6.833  -0.322   0.117
  553    HB2  ASP  70           HB2      ASP  70  -5.443  -0.306  -2.595
  554    HB3  ASP  70           HB1      ASP  70  -5.918  -1.790  -1.773
  555    H    LEU  71           HN       LEU  71  -3.666   0.997  -0.811
  556    HA   LEU  71           HA       LEU  71  -2.135  -1.271   0.019
  557    HB2  LEU  71           HB2      LEU  71  -1.577   0.821  -1.639
  558    HB3  LEU  71           HB1      LEU  71  -0.757   1.397  -0.210
  559    HG   LEU  71           HG       LEU  71   0.820   0.268  -1.688
  560   HD11  LEU  71          HD11      LEU  71   1.247   0.029   0.689
  561   HD12  LEU  71          HD12      LEU  71   1.817  -1.367  -0.217
  562   HD13  LEU  71          HD13      LEU  71   0.324  -1.473   0.721
  563   HD21  LEU  71          HD21      LEU  71   0.649  -2.075  -2.299
  564   HD22  LEU  71          HD22      LEU  71  -0.751  -1.182  -2.884
  565   HD23  LEU  71          HD23      LEU  71  -0.899  -2.217  -1.460
  566    H    VAL  72           HN       VAL  72  -2.360   2.048   1.398
  567    HA   VAL  72           HA       VAL  72  -1.109   1.637   3.840
  568    HB   VAL  72           HB       VAL  72  -3.444   3.525   3.235
  569   HG11  VAL  72          HG11      VAL  72  -2.719   4.847   5.219
  570   HG12  VAL  72          HG12      VAL  72  -1.547   3.585   5.617
  571   HG13  VAL  72          HG13      VAL  72  -3.274   3.234   5.666
  572   HG21  VAL  72          HG21      VAL  72  -0.455   4.111   3.295
  573   HG22  VAL  72          HG22      VAL  72  -1.732   5.274   2.938
  574   HG23  VAL  72          HG23      VAL  72  -1.421   3.936   1.830
  575    H    ASP  73           HN       ASP  73  -4.472   0.933   2.889
  576    HA   ASP  73           HA       ASP  73  -5.502   0.154   5.406
  577    HB2  ASP  73           HB2      ASP  73  -6.945   0.587   3.443
  578    HB3  ASP  73           HB1      ASP  73  -6.274  -0.814   2.618
  579    H    LYS  74           HN       LYS  74  -3.758  -1.653   2.928
  580    HA   LYS  74           HA       LYS  74  -4.020  -4.267   4.079
  581    HB2  LYS  74           HB2      LYS  74  -1.831  -3.239   2.211
  582    HB3  LYS  74           HB1      LYS  74  -2.075  -4.928   2.634
  583    HG2  LYS  74           HG2      LYS  74  -3.976  -3.178   1.053
  584    HG3  LYS  74           HG1      LYS  74  -2.953  -4.458   0.412
  585    HD2  LYS  74           HD2      LYS  74  -5.232  -4.861   2.389
  586    HD3  LYS  74           HD1      LYS  74  -5.344  -5.126   0.649
  587    HE2  LYS  74           HE2      LYS  74  -3.502  -6.637   2.537
  588    HE3  LYS  74           HE1      LYS  74  -5.030  -7.240   1.890
  589    HZ1  LYS  74           HZ1      LYS  74  -4.100  -7.073  -0.336
  590    HZ2  LYS  74           HZ2      LYS  74  -3.159  -8.082   0.633
  591    HZ3  LYS  74           HZ3      LYS  74  -2.633  -6.513   0.287
  592    H    LYS  75           HN       LYS  75  -1.645  -1.656   4.423
  593    HA   LYS  75           HA       LYS  75   0.252  -3.033   6.029
  594    HB2  LYS  75           HB2      LYS  75  -0.312  -0.037   5.787
  595    HB3  LYS  75           HB1      LYS  75   1.149  -0.749   6.466
  596    HG2  LYS  75           HG2      LYS  75   0.256  -1.072   3.584
  597    HG3  LYS  75           HG1      LYS  75   1.412   0.140   4.144
  598    HD2  LYS  75           HD2      LYS  75   2.963  -1.619   4.853
  599    HD3  LYS  75           HD1      LYS  75   1.798  -2.874   4.413
  600    HE2  LYS  75           HE2      LYS  75   2.010  -2.361   2.081
  601    HE3  LYS  75           HE1      LYS  75   2.910  -0.884   2.416
  602    HZ1  LYS  75           HZ1      LYS  75   4.347  -2.633   1.649
  603    HZ2  LYS  75           HZ2      LYS  75   3.866  -3.642   2.922
  604    HZ3  LYS  75           HZ3      LYS  75   4.722  -2.220   3.246
  605    H    LEU  76           HN       LEU  76  -2.466  -0.840   6.758
  606    HA   LEU  76           HA       LEU  76  -2.109  -0.686   9.565
  607    HB2  LEU  76           HB2      LEU  76  -4.590  -0.184   7.868
  608    HB3  LEU  76           HB1      LEU  76  -4.513   0.138   9.594
  609    HG   LEU  76           HG       LEU  76  -2.853   1.526   7.448
  610   HD11  LEU  76          HD11      LEU  76  -4.166   3.528   7.991
  611   HD12  LEU  76          HD12      LEU  76  -5.149   2.591   9.119
  612   HD13  LEU  76          HD13      LEU  76  -5.187   2.221   7.394
  613   HD21  LEU  76          HD21      LEU  76  -2.867   2.004  10.452
  614   HD22  LEU  76          HD22      LEU  76  -2.044   3.010   9.256
  615   HD23  LEU  76          HD23      LEU  76  -1.537   1.341   9.498
  616    H    ALA  77           HN       ALA  77  -3.983  -2.828   7.485
  617    HA   ALA  77           HA       ALA  77  -5.364  -4.345   9.401
  618    HB1  ALA  77           HB1      ALA  77  -5.555  -6.071   7.646
  619    HB2  ALA  77           HB2      ALA  77  -4.307  -5.254   6.701
  620    HB3  ALA  77           HB3      ALA  77  -5.854  -4.460   6.988
  621    H    ARG  78           HN       ARG  78  -2.083  -4.666   8.094
  622    HA   ARG  78           HA       ARG  78  -1.336  -6.981   9.595
  623    HB2  ARG  78           HB2      ARG  78   0.417  -4.823   8.343
  624    HB3  ARG  78           HB1      ARG  78   1.017  -6.328   9.027
  625    HG2  ARG  78           HG2      ARG  78  -0.718  -6.007   6.561
  626    HG3  ARG  78           HG1      ARG  78   0.965  -6.545   6.634
  627    HD2  ARG  78           HD2      ARG  78  -1.470  -8.015   7.700
  628    HD3  ARG  78           HD1      ARG  78  -0.502  -8.457   6.295
  629    HE   ARG  78           HE       ARG  78   1.377  -8.625   8.109
  630   HH11  ARG  78          HH11      ARG  78  -1.967  -9.680   8.554
  631   HH12  ARG  78          HH12      ARG  78  -1.537 -10.929   9.675
  632   HH21  ARG  78          HH21      ARG  78   1.891 -10.266   9.599
  633   HH22  ARG  78          HH22      ARG  78   0.631 -11.252  10.267
  634    H    LYS  79           HN       LYS  79  -1.279  -3.512  10.267
  635    HA   LYS  79           HA       LYS  79   0.403  -3.596  12.579
  636    HB2  LYS  79           HB2      LYS  79  -1.545  -1.452  11.630
  637    HB3  LYS  79           HB1      LYS  79  -0.425  -1.240  12.975
  638    HG2  LYS  79           HG2      LYS  79   0.318  -1.736  10.074
  639    HG3  LYS  79           HG1      LYS  79   0.456  -0.204  10.944
  640    HD2  LYS  79           HD2      LYS  79   2.178  -1.123  12.394
  641    HD3  LYS  79           HD1      LYS  79   1.947  -2.744  11.735
  642    HE2  LYS  79           HE2      LYS  79   2.816  -2.031   9.578
  643    HE3  LYS  79           HE1      LYS  79   2.938  -0.362  10.145
  644    HZ1  LYS  79           HZ1      LYS  79   4.437  -2.661  11.268
  645    HZ2  LYS  79           HZ2      LYS  79   4.571  -1.048  11.755
  646    HZ3  LYS  79           HZ3      LYS  79   5.055  -1.503  10.205
  647    H    LEU  80           HN       LEU  80  -2.973  -4.249  12.098
  648    HA   LEU  80           HA       LEU  80  -3.761  -4.223  14.831
  649    HB2  LEU  80           HB2      LEU  80  -4.843  -5.505  12.328
  650    HB3  LEU  80           HB1      LEU  80  -5.387  -6.152  13.862
  651    HG   LEU  80           HG       LEU  80  -6.999  -4.525  13.023
  652   HD11  LEU  80          HD11      LEU  80  -6.730  -4.730  15.447
  653   HD12  LEU  80          HD12      LEU  80  -7.202  -3.100  14.983
  654   HD13  LEU  80          HD13      LEU  80  -5.528  -3.432  15.441
  655   HD21  LEU  80          HD21      LEU  80  -6.484  -2.145  12.770
  656   HD22  LEU  80          HD22      LEU  80  -5.519  -3.120  11.664
  657   HD23  LEU  80          HD23      LEU  80  -4.779  -2.456  13.122
  658    H    GLU  81           HN       GLU  81  -2.203  -5.082  16.089
  659    HA   GLU  81           HA       GLU  81  -0.717  -7.416  15.750
  660    HB2  GLU  81           HB2      GLU  81  -1.643  -6.242  18.406
  661    HB3  GLU  81           HB1      GLU  81  -0.239  -7.271  18.157
  662    HG2  GLU  81           HG2      GLU  81  -0.565  -4.479  17.007
  663    HG3  GLU  81           HG1      GLU  81   0.286  -4.849  18.504
  664    H    HIS  82           HN       HIS  82  -3.742  -6.887  17.537
  665    HA   HIS  82           HA       HIS  82  -4.912  -9.369  16.775
  666    HB2  HIS  82           HB2      HIS  82  -5.157 -10.353  19.099
  667    HB3  HIS  82           HB1      HIS  82  -3.515 -10.389  18.471
  668    HD1  HIS  82           HD1      HIS  82  -5.601  -8.865  21.183
  669    HD2  HIS  82           HD2      HIS  82  -1.672  -8.766  19.856
  670    HE1  HIS  82           HE1      HIS  82  -4.313  -7.724  23.004
  671    HE2  HIS  82           HE2      HIS  82  -1.909  -7.832  22.245
  672    H    HIS  83           HN       HIS  83  -4.960  -6.424  18.690
  673    HA   HIS  83           HA       HIS  83  -7.844  -6.129  18.433
  674    HB2  HIS  83           HB2      HIS  83  -7.682  -7.575  20.423
  675    HB3  HIS  83           HB1      HIS  83  -6.529  -6.478  21.169
  676    HD1  HIS  83           HD1      HIS  83 -10.184  -6.853  20.402
  677    HD2  HIS  83           HD2      HIS  83  -7.678  -4.313  22.506
  678    HE1  HIS  83           HE1      HIS  83 -11.697  -5.409  21.780
  679    HE2  HIS  83           HE2      HIS  83 -10.142  -4.047  23.209
  680    H    HIS  84           HN       HIS  84  -8.503  -3.995  18.623
  681    HA   HIS  84           HA       HIS  84  -7.039  -1.902  19.886
  682    HB2  HIS  84           HB2      HIS  84  -5.623  -2.201  17.821
  683    HB3  HIS  84           HB1      HIS  84  -7.030  -1.872  16.827
  684    HD1  HIS  84           HD1      HIS  84  -4.206  -0.257  18.429
  685    HD2  HIS  84           HD2      HIS  84  -7.976   0.937  17.147
  686    HE1  HIS  84           HE1      HIS  84  -4.073   2.241  18.177
  687    HE2  HIS  84           HE2      HIS  84  -6.378   2.941  17.457
  688    H    HIS  85           HN       HIS  85  -8.986  -1.853  16.869
  689    HA   HIS  85           HA       HIS  85 -11.471  -1.476  18.236
  690    HB2  HIS  85           HB2      HIS  85 -10.462   0.859  18.389
  691    HB3  HIS  85           HB1      HIS  85 -10.513   0.939  16.630
  692    HD1  HIS  85           HD1      HIS  85 -12.305   2.732  16.402
  693    HD2  HIS  85           HD2      HIS  85 -13.500  -0.399  18.846
  694    HE1  HIS  85           HE1      HIS  85 -14.745   3.112  16.824
  695    HE2  HIS  85           HE2      HIS  85 -15.372   1.344  18.497
  696    H    HIS  86           HN       HIS  86 -11.723  -3.366  16.951
  697    HA   HIS  86           HA       HIS  86 -13.192  -2.848  14.513
  698    HB2  HIS  86           HB2      HIS  86 -10.708  -4.627  14.457
  699    HB3  HIS  86           HB1      HIS  86 -12.026  -4.861  13.321
  700    HD1  HIS  86           HD1      HIS  86 -12.629  -2.417  12.014
  701    HD2  HIS  86           HD2      HIS  86  -8.754  -3.126  13.326
  702    HE1  HIS  86           HE1      HIS  86 -11.182  -0.854  10.692
  703    HE2  HIS  86           HE2      HIS  86  -8.838  -1.297  11.500
  704    H    HIS  87           HN       HIS  87 -14.869  -4.352  14.288
  705    HA   HIS  87           HA       HIS  87 -14.711  -6.978  15.444
  706    HB2  HIS  87           HB2      HIS  87 -16.640  -6.850  16.973
  707    HB3  HIS  87           HB1      HIS  87 -15.357  -5.775  17.499
  708    HD1  HIS  87           HD1      HIS  87 -15.941  -3.187  16.138
  709    HD2  HIS  87           HD2      HIS  87 -18.986  -5.649  17.513
  710    HE1  HIS  87           HE1      HIS  87 -17.940  -1.695  16.417
  711    HE2  HIS  87           HE2      HIS  87 -19.805  -3.252  17.050
  712   H282  PNS  88          H282      PNS  88   7.552  11.252  -9.935
  713   H281  PNS  88          H281      PNS  88   7.716  11.014 -11.679
  714   H303  PNS  88          H303      PNS  88   5.162  10.647 -11.828
  715   H302  PNS  88          H302      PNS  88   4.389   9.500 -10.728
  716   H301  PNS  88          H301      PNS  88   5.129  10.973 -10.089
  717   H313  PNS  88          H313      PNS  88   6.402   9.450  -8.515
  718   H312  PNS  88          H312      PNS  88   5.776   7.988  -9.277
  719   H311  PNS  88          H311      PNS  88   7.523   8.239  -9.142
  720    H32  PNS  88           H32      PNS  88   6.692   8.898 -12.810
  721    H33  PNS  88           H33      PNS  88   7.952   6.815 -11.699
  722    H36  PNS  88           H36      PNS  88   4.326   8.511 -12.624
  723   H372  PNS  88          H372      PNS  88   2.539   7.143 -12.914
  724   H371  PNS  88          H371      PNS  88   3.628   5.756 -12.768
  725   H382  PNS  88          H382      PNS  88   2.018   5.693 -10.960
  726   H381  PNS  88          H381      PNS  88   3.619   6.041 -10.320
  727    H41  PNS  88           H41      PNS  88   2.132   6.619  -8.485
  728   H422  PNS  88          H422      PNS  88   2.174   9.279  -7.832
  729   H421  PNS  88          H421      PNS  88   0.561   9.005  -8.493
  730   H431  PNS  88          H431      PNS  88   0.187   7.219  -6.839
  731   H432  PNS  88          H432      PNS  88   0.569   8.745  -6.037
  732    H44  PNS  88           H44      PNS  88   2.725   6.126  -6.536
  Start of MODEL    6
    1    H1   MET   1           HT1      MET   1 -12.510   1.874   8.125
    2    H2   MET   1           HT2      MET   1 -12.051   0.466   7.322
    3    H3   MET   1           HT3      MET   1 -12.754   1.740   6.461
    4    HA   MET   1           HA       MET   1 -10.166   1.822   7.870
    5    HB2  MET   1           HB2      MET   1  -9.150   1.897   5.592
    6    HB3  MET   1           HB1      MET   1 -10.006   0.392   5.890
    7    HG2  MET   1           HG2      MET   1 -11.867   1.133   4.505
    8    HG3  MET   1           HG1      MET   1 -11.119   2.718   4.301
    9    HE1  MET   1           HE1      MET   1 -11.306   2.644   1.687
   10    HE2  MET   1           HE2      MET   1 -12.121   1.081   1.777
   11    HE3  MET   1           HE3      MET   1 -10.752   1.300   0.688
   12    HA   PRO   2           HA       PRO   2 -10.970   6.299   7.279
   13    HB2  PRO   2           HB2      PRO   2  -9.352   7.229   9.185
   14    HB3  PRO   2           HB1      PRO   2 -10.743   6.231   9.636
   15    HG2  PRO   2           HG2      PRO   2  -7.834   5.492   9.527
   16    HG3  PRO   2           HG1      PRO   2  -9.091   4.937  10.651
   17    HD2  PRO   2           HD2      PRO   2  -8.184   3.582   8.279
   18    HD3  PRO   2           HD1      PRO   2  -9.554   3.121   9.315
   19    H    THR   3           HN       THR   3  -9.478   5.140   5.266
   20    HA   THR   3           HA       THR   3  -6.704   5.627   5.230
   21    HB   THR   3           HB       THR   3  -6.924   5.094   2.735
   22    HG1  THR   3           HG1      THR   3  -8.923   4.686   1.928
   23   HG21  THR   3          HG21      THR   3  -8.227   3.155   4.684
   24   HG22  THR   3          HG22      THR   3  -6.492   3.316   4.400
   25   HG23  THR   3          HG23      THR   3  -7.547   2.737   3.110
   26    H    LEU   4           HN       LEU   4  -8.953   7.139   2.830
   27    HA   LEU   4           HA       LEU   4  -7.155   9.248   2.184
   28    HB2  LEU   4           HB2      LEU   4 -10.156   9.087   1.705
   29    HB3  LEU   4           HB1      LEU   4  -9.092  10.279   0.976
   30    HG   LEU   4           HG       LEU   4  -8.984   7.278   0.476
   31   HD11  LEU   4          HD11      LEU   4 -10.943   8.319  -0.569
   32   HD12  LEU   4          HD12      LEU   4  -9.772   7.800  -1.778
   33   HD13  LEU   4          HD13      LEU   4  -9.903   9.511  -1.360
   34   HD21  LEU   4          HD21      LEU   4  -7.314   7.795  -1.260
   35   HD22  LEU   4          HD22      LEU   4  -6.739   8.269   0.333
   36   HD23  LEU   4          HD23      LEU   4  -7.333   9.496  -0.786
   37    H    ASP   5           HN       ASP   5  -9.755   8.946   4.535
   38    HA   ASP   5           HA       ASP   5 -10.181  11.565   5.370
   39    HB2  ASP   5           HB2      ASP   5 -10.040   9.126   7.202
   40    HB3  ASP   5           HB1      ASP   5 -10.903  10.628   7.531
   41    H    ALA   6           HN       ALA   6  -7.626   9.315   6.375
   42    HA   ALA   6           HA       ALA   6  -6.346  11.236   8.155
   43    HB1  ALA   6           HB1      ALA   6  -4.805   9.394   8.669
   44    HB2  ALA   6           HB2      ALA   6  -5.507   8.423   7.367
   45    HB3  ALA   6           HB3      ALA   6  -6.484   8.852   8.774
   46    H    LEU   7           HN       LEU   7  -5.894   9.994   4.869
   47    HA   LEU   7           HA       LEU   7  -3.153  10.807   4.585
   48    HB2  LEU   7           HB2      LEU   7  -5.202  10.046   2.471
   49    HB3  LEU   7           HB1      LEU   7  -3.520  10.410   2.112
   50    HG   LEU   7           HG       LEU   7  -4.582   8.039   3.697
   51   HD11  LEU   7          HD11      LEU   7  -3.569   6.703   1.894
   52   HD12  LEU   7          HD12      LEU   7  -3.092   8.183   1.054
   53   HD13  LEU   7          HD13      LEU   7  -4.803   7.803   1.282
   54   HD21  LEU   7          HD21      LEU   7  -2.534   8.801   4.790
   55   HD22  LEU   7          HD22      LEU   7  -1.677   8.823   3.245
   56   HD23  LEU   7          HD23      LEU   7  -2.235   7.292   3.930
   57    H    THR   8           HN       THR   8  -6.282  12.332   3.819
   58    HA   THR   8           HA       THR   8  -5.387  14.176   1.932
   59    HB   THR   8           HB       THR   8  -7.811  14.453   3.747
   60    HG1  THR   8           HG1      THR   8  -8.559  12.967   2.473
   61   HG21  THR   8          HG21      THR   8  -8.720  15.977   2.032
   62   HG22  THR   8          HG22      THR   8  -7.193  15.906   1.149
   63   HG23  THR   8          HG23      THR   8  -7.251  16.643   2.752
   64    HA   PRO   9           HA       PRO   9  -4.704  17.552   5.431
   65    HB2  PRO   9           HB2      PRO   9  -4.173  15.861   7.855
   66    HB3  PRO   9           HB1      PRO   9  -5.048  17.396   7.720
   67    HG2  PRO   9           HG2      PRO   9  -6.389  15.120   8.082
   68    HG3  PRO   9           HG1      PRO   9  -7.018  16.356   6.970
   69    HD2  PRO   9           HD2      PRO   9  -5.497  13.816   6.313
   70    HD3  PRO   9           HD1      PRO   9  -6.975  14.466   5.557
   71    H    ILE  10           HN       ILE  10  -3.055  14.425   5.411
   72    HA   ILE  10           HA       ILE  10  -0.421  15.390   6.080
   73    HB   ILE  10           HB       ILE  10  -1.196  12.813   4.621
   74   HG12  ILE  10          HG12      ILE  10  -0.585  13.305   7.574
   75   HG13  ILE  10          HG11      ILE  10  -2.169  12.945   6.898
   76   HG21  ILE  10          HG21      ILE  10   1.067  11.977   5.238
   77   HG22  ILE  10          HG22      ILE  10   1.469  13.553   5.920
   78   HG23  ILE  10          HG23      ILE  10   1.174  13.394   4.188
   79   HD11  ILE  10          HD11      ILE  10   0.204  11.078   6.934
   80   HD12  ILE  10          HD12      ILE  10  -1.385  10.714   6.257
   81   HD13  ILE  10          HD13      ILE  10  -1.208  11.006   7.984
   82    H    PHE  11           HN       PHE  11  -2.161  14.720   3.037
   83    HA   PHE  11           HA       PHE  11  -0.081  15.468   1.246
   84    HB2  PHE  11           HB2      PHE  11  -3.079  15.146   0.961
   85    HB3  PHE  11           HB1      PHE  11  -2.151  15.852  -0.355
   86    HD1  PHE  11           HD2      PHE  11  -1.913  12.825   1.897
   87    HD2  PHE  11           HD1      PHE  11  -1.546  14.399  -2.062
   88    HE1  PHE  11           HE2      PHE  11  -1.418  10.576   1.046
   89    HE2  PHE  11           HE1      PHE  11  -1.055  12.148  -2.899
   90    HZ   PHE  11           HZ       PHE  11  -0.991  10.234  -1.356
   91    H    ARG  12           HN       ARG  12  -2.796  17.251   2.705
   92    HA   ARG  12           HA       ARG  12  -2.416  19.725   1.416
   93    HB2  ARG  12           HB2      ARG  12  -3.607  19.093   4.149
   94    HB3  ARG  12           HB1      ARG  12  -3.686  20.682   3.390
   95    HG2  ARG  12           HG2      ARG  12  -4.973  19.691   1.500
   96    HG3  ARG  12           HG1      ARG  12  -4.936  18.129   2.317
   97    HD2  ARG  12           HD2      ARG  12  -6.199  19.101   4.216
   98    HD3  ARG  12           HD1      ARG  12  -6.240  20.662   3.381
   99    HE   ARG  12           HE       ARG  12  -7.312  18.448   1.867
  100   HH11  ARG  12          HH11      ARG  12  -8.126  21.061   4.040
  101   HH12  ARG  12          HH12      ARG  12  -9.811  21.020   3.646
  102   HH21  ARG  12          HH21      ARG  12  -9.488  18.426   1.318
  103   HH22  ARG  12          HH22      ARG  12 -10.586  19.526   2.084
  104    H    GLN  13           HN       GLN  13  -0.721  18.228   4.096
  105    HA   GLN  13           HA       GLN  13   0.642  20.654   4.923
  106    HB2  GLN  13           HB2      GLN  13   0.077  18.828   6.529
  107    HB3  GLN  13           HB1      GLN  13   1.164  17.740   5.664
  108    HG2  GLN  13           HG2      GLN  13   3.072  19.263   6.224
  109    HG3  GLN  13           HG1      GLN  13   1.959  20.272   7.145
  110   HE21  GLN  13          HE21      GLN  13   3.635  17.205   7.046
  111   HE22  GLN  13          HE22      GLN  13   3.359  16.789   8.701
  112    H    VAL  14           HN       VAL  14   1.744  17.531   3.505
  113    HA   VAL  14           HA       VAL  14   4.444  18.168   3.133
  114    HB   VAL  14           HB       VAL  14   2.721  16.129   1.642
  115   HG11  VAL  14          HG11      VAL  14   4.727  16.599   0.288
  116   HG12  VAL  14          HG12      VAL  14   4.833  14.985   0.993
  117   HG13  VAL  14          HG13      VAL  14   5.768  16.314   1.690
  118   HG21  VAL  14          HG21      VAL  14   2.846  15.737   4.076
  119   HG22  VAL  14          HG22      VAL  14   4.609  15.763   4.005
  120   HG23  VAL  14          HG23      VAL  14   3.711  14.475   3.194
  121    H    PHE  15           HN       PHE  15   1.725  18.439   0.883
  122    HA   PHE  15           HA       PHE  15   3.390  19.566  -1.242
  123    HB2  PHE  15           HB2      PHE  15   0.408  18.918  -1.196
  124    HB3  PHE  15           HB1      PHE  15   1.317  19.449  -2.610
  125    HD1  PHE  15           HD1      PHE  15   0.736  16.630  -0.302
  126    HD2  PHE  15           HD2      PHE  15   2.863  17.936  -3.763
  127    HE1  PHE  15           HE1      PHE  15   1.357  14.316  -0.785
  128    HE2  PHE  15           HE2      PHE  15   3.479  15.615  -4.233
  129    HZ   PHE  15           HZ       PHE  15   2.734  13.799  -2.756
  130    H    ASP  16           HN       ASP  16   1.436  20.658   1.366
  131    HA   ASP  16           HA       ASP  16   0.602  22.614   2.081
  132    HB2  ASP  16           HB2      ASP  16   2.912  23.388   1.994
  133    HB3  ASP  16           HB1      ASP  16   2.764  23.770   0.280
  134    H    ASP  17           HN       ASP  17  -1.417  22.155   1.140
  135    HA   ASP  17           HA       ASP  17  -2.505  24.200  -0.476
  136    HB2  ASP  17           HB2      ASP  17  -1.317  22.850  -2.279
  137    HB3  ASP  17           HB1      ASP  17  -2.325  21.469  -1.865
  138    H    ASP  18           HN       ASP  18  -4.313  24.399   0.753
  139    HA   ASP  18           HA       ASP  18  -5.600  22.239   2.134
  140    HB2  ASP  18           HB2      ASP  18  -5.566  24.520   3.055
  141    HB3  ASP  18           HB1      ASP  18  -6.485  25.117   1.680
  142    H    SER  19           HN       SER  19  -5.895  23.388  -1.087
  143    HA   SER  19           HA       SER  19  -8.710  22.712  -1.444
  144    HB2  SER  19           HB2      SER  19  -6.584  23.474  -3.491
  145    HB3  SER  19           HB1      SER  19  -8.309  23.303  -3.829
  146    HG   SER  19           HG       SER  19  -7.060  25.174  -2.104
  147    H    ILE  20           HN       ILE  20  -5.827  20.906  -1.277
  148    HA   ILE  20           HA       ILE  20  -6.360  18.787  -3.077
  149    HB   ILE  20           HB       ILE  20  -4.862  18.754  -0.416
  150   HG12  ILE  20          HG12      ILE  20  -3.842  18.804  -3.292
  151   HG13  ILE  20          HG11      ILE  20  -3.812  20.161  -2.172
  152   HG21  ILE  20          HG21      ILE  20  -4.976  16.547  -2.510
  153   HG22  ILE  20          HG22      ILE  20  -5.641  16.465  -0.877
  154   HG23  ILE  20          HG23      ILE  20  -3.897  16.570  -1.114
  155   HD11  ILE  20          HD11      ILE  20  -1.622  19.175  -2.396
  156   HD12  ILE  20          HD12      ILE  20  -2.240  17.592  -1.923
  157   HD13  ILE  20          HD13      ILE  20  -2.221  18.919  -0.755
  158    H    VAL  21           HN       VAL  21  -8.255  17.802  -3.111
  159    HA   VAL  21           HA       VAL  21  -9.436  16.620  -0.669
  160    HB   VAL  21           HB       VAL  21 -10.862  17.441  -3.252
  161   HG11  VAL  21          HG11      VAL  21 -12.966  16.824  -2.089
  162   HG12  VAL  21          HG12      VAL  21 -12.027  16.247  -0.710
  163   HG13  VAL  21          HG13      VAL  21 -11.892  15.431  -2.270
  164   HG21  VAL  21          HG21      VAL  21 -10.276  19.423  -1.910
  165   HG22  VAL  21          HG22      VAL  21 -11.051  18.709  -0.492
  166   HG23  VAL  21          HG23      VAL  21 -12.023  19.159  -1.895
  167    H    LEU  22           HN       LEU  22  -8.557  14.578  -0.726
  168    HA   LEU  22           HA       LEU  22  -7.622  13.383  -3.143
  169    HB2  LEU  22           HB2      LEU  22  -7.877  12.277  -0.326
  170    HB3  LEU  22           HB1      LEU  22  -7.134  11.396  -1.656
  171    HG   LEU  22           HG       LEU  22  -6.124  14.014  -0.464
  172   HD11  LEU  22          HD11      LEU  22  -4.235  12.691   0.324
  173   HD12  LEU  22          HD12      LEU  22  -4.949  11.223  -0.343
  174   HD13  LEU  22          HD13      LEU  22  -5.750  12.073   0.980
  175   HD21  LEU  22          HD21      LEU  22  -4.176  13.750  -1.977
  176   HD22  LEU  22          HD22      LEU  22  -5.672  13.975  -2.877
  177   HD23  LEU  22          HD23      LEU  22  -4.959  12.365  -2.747
  178    H    THR  23           HN       THR  23  -8.466  11.922  -4.390
  179    HA   THR  23           HA       THR  23 -10.857  10.377  -3.640
  180    HB   THR  23           HB       THR  23 -11.640  10.542  -6.033
  181    HG1  THR  23           HG1      THR  23 -10.738  12.286  -7.296
  182   HG21  THR  23          HG21      THR  23 -11.453  13.244  -4.648
  183   HG22  THR  23          HG22      THR  23 -12.689  12.021  -4.348
  184   HG23  THR  23          HG23      THR  23 -12.598  12.818  -5.921
  185    H    ARG  24           HN       ARG  24 -10.920   8.337  -4.974
  186    HA   ARG  24           HA       ARG  24  -8.467   7.058  -4.445
  187    HB2  ARG  24           HB2      ARG  24 -10.923   5.965  -5.857
  188    HB3  ARG  24           HB1      ARG  24  -9.579   4.983  -5.266
  189    HG2  ARG  24           HG2      ARG  24 -10.055   5.808  -2.950
  190    HG3  ARG  24           HG1      ARG  24 -11.451   6.683  -3.580
  191    HD2  ARG  24           HD2      ARG  24 -12.247   4.642  -2.593
  192    HD3  ARG  24           HD1      ARG  24 -12.399   4.477  -4.345
  193    HE   ARG  24           HE       ARG  24  -9.918   3.416  -3.462
  194   HH11  ARG  24          HH11      ARG  24 -13.336   2.592  -3.548
  195   HH12  ARG  24          HH12      ARG  24 -13.038   0.893  -3.422
  196   HH21  ARG  24          HH21      ARG  24  -9.553   1.225  -3.308
  197   HH22  ARG  24          HH22      ARG  24 -10.881   0.116  -3.272
  198    H    GLU  25           HN       GLU  25  -9.730   8.285  -7.474
  199    HA   GLU  25           HA       GLU  25  -7.537   6.969  -8.968
  200    HB2  GLU  25           HB2      GLU  25  -8.735   7.515 -11.046
  201    HB3  GLU  25           HB1      GLU  25  -9.730   6.568  -9.952
  202    HG2  GLU  25           HG2      GLU  25  -9.971   9.573 -10.278
  203    HG3  GLU  25           HG1      GLU  25 -10.927   8.410 -11.194
  204    H    THR  26           HN       THR  26  -7.627   9.659  -7.255
  205    HA   THR  26           HA       THR  26  -6.343  11.566  -8.970
  206    HB   THR  26           HB       THR  26  -6.016  11.143  -5.948
  207    HG1  THR  26           HG1      THR  26  -8.157  11.694  -6.880
  208   HG21  THR  26          HG21      THR  26  -5.307  13.588  -7.626
  209   HG22  THR  26          HG22      THR  26  -4.148  12.509  -6.840
  210   HG23  THR  26          HG23      THR  26  -5.243  13.494  -5.863
  211    H    SER  27           HN       SER  27  -4.216  11.500  -9.763
  212    HA   SER  27           HA       SER  27  -2.226   9.764  -8.402
  213    HB2  SER  27           HB2      SER  27  -1.298   9.141 -10.607
  214    HB3  SER  27           HB1      SER  27  -2.996   8.668 -10.509
  215    HG   SER  27           HG       SER  27  -3.548  10.341 -11.840
  216    H    ALA  28           HN       ALA  28   0.062  10.381  -9.513
  217    HA   ALA  28           HA       ALA  28   0.709  13.019  -8.807
  218    HB1  ALA  28           HB1      ALA  28   2.919  12.540  -9.734
  219    HB2  ALA  28           HB2      ALA  28   2.284  11.116 -10.564
  220    HB3  ALA  28           HB3      ALA  28   2.321  11.168  -8.801
  221    H    ASN  29           HN       ASN  29  -0.582  11.816 -11.806
  222    HA   ASN  29           HA       ASN  29   0.147  14.088 -13.430
  223    HB2  ASN  29           HB2      ASN  29  -0.448  11.926 -14.484
  224    HB3  ASN  29           HB1      ASN  29  -2.068  12.021 -13.805
  225   HD21  ASN  29          HD21      ASN  29  -3.576  13.429 -14.741
  226   HD22  ASN  29          HD22      ASN  29  -3.321  14.183 -16.275
  227    H    ASP  30           HN       ASP  30  -2.541  13.207 -11.297
  228    HA   ASP  30           HA       ASP  30  -4.255  15.416 -12.052
  229    HB2  ASP  30           HB2      ASP  30  -4.480  13.395  -9.768
  230    HB3  ASP  30           HB1      ASP  30  -5.711  14.598 -10.167
  231    H    ILE  31           HN       ILE  31  -1.558  15.105  -9.975
  232    HA   ILE  31           HA       ILE  31  -2.154  17.773  -8.816
  233    HB   ILE  31           HB       ILE  31  -0.563  15.510  -7.501
  234   HG12  ILE  31          HG12      ILE  31  -3.196  16.808  -6.654
  235   HG13  ILE  31          HG11      ILE  31  -3.011  15.172  -7.276
  236   HG21  ILE  31          HG21      ILE  31  -1.002  18.335  -6.460
  237   HG22  ILE  31          HG22      ILE  31   0.522  17.678  -7.057
  238   HG23  ILE  31          HG23      ILE  31  -0.198  17.029  -5.585
  239   HD11  ILE  31          HD11      ILE  31  -1.969  16.235  -4.645
  240   HD12  ILE  31          HD12      ILE  31  -1.690  14.601  -5.255
  241   HD13  ILE  31          HD13      ILE  31  -3.329  15.137  -4.883
  242    H    ASP  32           HN       ASP  32  -1.009  19.112 -10.076
  243    HA   ASP  32           HA       ASP  32   1.099  18.527 -11.804
  244    HB2  ASP  32           HB2      ASP  32   0.212  21.171 -10.579
  245    HB3  ASP  32           HB1      ASP  32   1.486  21.090 -11.794
  246    H    ALA  33           HN       ALA  33   1.244  19.682  -8.469
  247    HA   ALA  33           HA       ALA  33   4.155  20.025  -8.544
  248    HB1  ALA  33           HB1      ALA  33   3.871  21.040  -6.325
  249    HB2  ALA  33           HB2      ALA  33   2.161  20.589  -6.324
  250    HB3  ALA  33           HB3      ALA  33   2.762  21.763  -7.499
  251    H    TRP  34           HN       TRP  34   2.423  17.271  -8.303
  252    HA   TRP  34           HA       TRP  34   3.832  16.102  -6.026
  253    HB2  TRP  34           HB2      TRP  34   1.437  15.495  -6.709
  254    HB3  TRP  34           HB1      TRP  34   2.118  14.633  -8.077
  255    HD1  TRP  34           HD1      TRP  34   4.552  13.706  -5.621
  256    HE1  TRP  34           HE1      TRP  34   3.919  11.565  -4.345
  257    HE3  TRP  34           HE3      TRP  34  -0.416  13.494  -6.794
  258    HZ2  TRP  34           HZ2      TRP  34   1.642   9.995  -3.901
  259    HZ3  TRP  34           HZ3      TRP  34  -1.743  11.631  -5.914
  260    HH2  TRP  34           HH2      TRP  34  -0.743   9.912  -4.490
  261    H    ASP  35           HN       ASP  35   5.886  16.774  -7.036
  262    HA   ASP  35           HA       ASP  35   7.076  15.420  -9.222
  263    HB2  ASP  35           HB2      ASP  35   8.316  16.732  -6.760
  264    HB3  ASP  35           HB1      ASP  35   9.235  16.202  -8.168
  265    H    SER  36           HN       SER  36   8.811  13.793  -9.116
  266    HA   SER  36           HA       SER  36   8.387  11.463  -7.707
  267    HB2  SER  36           HB2      SER  36  11.195  12.299  -8.519
  268    HB3  SER  36           HB1      SER  36  10.410  10.725  -8.698
  269    H    LEU  37           HN       LEU  37  10.322  14.244  -6.865
  270    HA   LEU  37           HA       LEU  37  11.539  13.278  -4.479
  271    HB2  LEU  37           HB2      LEU  37  11.003  16.154  -5.339
  272    HB3  LEU  37           HB1      LEU  37  12.058  15.672  -4.027
  273    HG   LEU  37           HG       LEU  37  13.511  16.219  -5.786
  274   HD11  LEU  37          HD11      LEU  37  14.678  14.170  -6.398
  275   HD12  LEU  37          HD12      LEU  37  13.278  13.207  -5.911
  276   HD13  LEU  37          HD13      LEU  37  14.171  14.143  -4.708
  277   HD21  LEU  37          HD21      LEU  37  13.348  15.507  -8.098
  278   HD22  LEU  37          HD22      LEU  37  11.866  16.323  -7.610
  279   HD23  LEU  37          HD23      LEU  37  11.897  14.564  -7.744
  280    H    SER  38           HN       SER  38   8.524  15.001  -5.139
  281    HA   SER  38           HA       SER  38   7.723  15.571  -2.489
  282    HB2  SER  38           HB2      SER  38   5.923  15.093  -4.905
  283    HB3  SER  38           HB1      SER  38   5.529  16.025  -3.458
  284    HG   SER  38           HG       SER  38   7.025  17.557  -4.059
  285    H    HIS  39           HN       HIS  39   7.179  12.777  -4.623
  286    HA   HIS  39           HA       HIS  39   5.608  11.117  -3.037
  287    HB2  HIS  39           HB2      HIS  39   7.870  10.409  -4.945
  288    HB3  HIS  39           HB1      HIS  39   6.956   9.161  -4.105
  289    HD2  HIS  39           HD2      HIS  39   6.595  11.586  -7.086
  290    HE1  HIS  39           HE1      HIS  39   3.128   9.198  -6.797
  291    HE2  HIS  39           HE2      HIS  39   4.269  11.053  -8.082
  292    H    MET  40           HN       MET  40   9.141  11.544  -2.927
  293    HA   MET  40           HA       MET  40   9.725   9.542  -1.017
  294    HB2  MET  40           HB2      MET  40  11.236  12.086  -1.748
  295    HB3  MET  40           HB1      MET  40  11.867  10.886  -0.629
  296    HG2  MET  40           HG2      MET  40  11.227  10.418  -3.553
  297    HG3  MET  40           HG1      MET  40  12.833  10.564  -2.843
  298    HE1  MET  40           HE1      MET  40  12.853   7.291  -0.527
  299    HE2  MET  40           HE2      MET  40  12.199   8.849  -0.027
  300    HE3  MET  40           HE3      MET  40  13.721   8.776  -0.915
  301    H    ASN  41           HN       ASN  41   8.995  12.970  -0.642
  302    HA   ASN  41           HA       ASN  41   9.390  13.172   2.177
  303    HB2  ASN  41           HB2      ASN  41   7.837  14.899   0.203
  304    HB3  ASN  41           HB1      ASN  41   8.087  15.344   1.889
  305   HD21  ASN  41          HD21      ASN  41   9.065  16.331  -0.860
  306   HD22  ASN  41          HD22      ASN  41  10.753  16.590  -0.611
  307    H    LEU  42           HN       LEU  42   6.491  12.677   0.168
  308    HA   LEU  42           HA       LEU  42   4.560  12.704   2.237
  309    HB2  LEU  42           HB2      LEU  42   4.182  13.067  -0.234
  310    HB3  LEU  42           HB1      LEU  42   4.424  11.355  -0.501
  311    HG   LEU  42           HG       LEU  42   2.015  12.205  -0.522
  312   HD11  LEU  42          HD11      LEU  42   1.061  10.265   0.586
  313   HD12  LEU  42          HD12      LEU  42   2.592   9.958   1.411
  314   HD13  LEU  42          HD13      LEU  42   2.491   9.829  -0.347
  315   HD21  LEU  42          HD21      LEU  42   2.391  12.387   2.483
  316   HD22  LEU  42          HD22      LEU  42   0.867  12.557   1.609
  317   HD23  LEU  42          HD23      LEU  42   2.147  13.742   1.376
  318    H    ILE  43           HN       ILE  43   6.369  10.095   0.707
  319    HA   ILE  43           HA       ILE  43   5.019   7.878   1.821
  320    HB   ILE  43           HB       ILE  43   7.480   8.331   0.188
  321   HG12  ILE  43          HG12      ILE  43   6.564   6.541  -1.216
  322   HG13  ILE  43          HG11      ILE  43   5.411   6.099   0.032
  323   HG21  ILE  43          HG21      ILE  43   8.410   6.060   0.435
  324   HG22  ILE  43          HG22      ILE  43   7.322   5.767   1.789
  325   HG23  ILE  43          HG23      ILE  43   8.566   7.008   1.914
  326   HD11  ILE  43          HD11      ILE  43   5.419   8.675  -1.523
  327   HD12  ILE  43          HD12      ILE  43   4.231   8.200  -0.306
  328   HD13  ILE  43          HD13      ILE  43   4.377   7.284  -1.804
  329    H    VAL  44           HN       VAL  44   8.054   9.525   2.802
  330    HA   VAL  44           HA       VAL  44   8.581   7.786   4.985
  331    HB   VAL  44           HB       VAL  44  10.246   9.443   5.728
  332   HG11  VAL  44          HG11      VAL  44  11.705   9.397   3.722
  333   HG12  VAL  44          HG12      VAL  44  10.310   8.970   2.728
  334   HG13  VAL  44          HG13      VAL  44  10.884   7.850   3.967
  335   HG21  VAL  44          HG21      VAL  44  10.642  11.550   4.469
  336   HG22  VAL  44          HG22      VAL  44   9.063  11.547   5.257
  337   HG23  VAL  44          HG23      VAL  44   9.181  11.244   3.523
  338    H    SER  45           HN       SER  45   6.680  10.761   4.682
  339    HA   SER  45           HA       SER  45   6.161  11.294   7.400
  340    HB2  SER  45           HB2      SER  45   4.350  11.719   4.984
  341    HB3  SER  45           HB1      SER  45   4.075  12.431   6.575
  342    HG   SER  45           HG       SER  45   6.499  12.819   5.175
  343    H    LEU  46           HN       LEU  46   4.459   9.141   5.101
  344    HA   LEU  46           HA       LEU  46   2.382   8.329   6.864
  345    HB2  LEU  46           HB2      LEU  46   3.498   6.768   4.502
  346    HB3  LEU  46           HB1      LEU  46   1.924   6.540   5.256
  347    HG   LEU  46           HG       LEU  46   2.829   8.910   3.578
  348   HD11  LEU  46          HD11      LEU  46   2.252   6.918   2.284
  349   HD12  LEU  46          HD12      LEU  46   1.078   8.203   2.024
  350   HD13  LEU  46          HD13      LEU  46   0.672   6.840   3.068
  351   HD21  LEU  46          HD21      LEU  46   0.565   9.843   3.884
  352   HD22  LEU  46          HD22      LEU  46   1.454   9.765   5.399
  353   HD23  LEU  46          HD23      LEU  46   0.201   8.573   5.057
  354    H    GLU  47           HN       GLU  47   5.562   6.971   6.106
  355    HA   GLU  47           HA       GLU  47   5.279   4.496   7.415
  356    HB2  GLU  47           HB2      GLU  47   7.777   6.091   6.750
  357    HB3  GLU  47           HB1      GLU  47   7.797   4.432   7.350
  358    HG2  GLU  47           HG2      GLU  47   6.385   3.783   5.368
  359    HG3  GLU  47           HG1      GLU  47   6.611   5.414   4.744
  360    H    VAL  48           HN       VAL  48   6.776   7.544   8.600
  361    HA   VAL  48           HA       VAL  48   7.461   6.433  11.135
  362    HB   VAL  48           HB       VAL  48   8.048   8.720  11.814
  363   HG11  VAL  48          HG11      VAL  48   9.678   7.418  10.504
  364   HG12  VAL  48          HG12      VAL  48   9.822   9.137  10.147
  365   HG13  VAL  48          HG13      VAL  48   9.010   8.069   9.002
  366   HG21  VAL  48          HG21      VAL  48   6.880   9.639   9.158
  367   HG22  VAL  48          HG22      VAL  48   7.797  10.651  10.276
  368   HG23  VAL  48          HG23      VAL  48   6.231  10.002  10.759
  369    H    HIS  49           HN       HIS  49   4.678   8.404  10.046
  370    HA   HIS  49           HA       HIS  49   3.655   8.907  12.652
  371    HB2  HIS  49           HB2      HIS  49   2.525   9.263   9.875
  372    HB3  HIS  49           HB1      HIS  49   1.464   9.454  11.268
  373    HD1  HIS  49           HD1      HIS  49   2.192  11.336  13.020
  374    HD2  HIS  49           HD2      HIS  49   4.083  11.483   9.329
  375    HE1  HIS  49           HE1      HIS  49   3.237  13.612  12.897
  376    HE2  HIS  49           HE2      HIS  49   4.535  13.590  10.746
  377    H    TYR  50           HN       TYR  50   2.621   6.543  10.160
  378    HA   TYR  50           HA       TYR  50   0.700   5.322  11.980
  379    HB2  TYR  50           HB2      TYR  50   1.583   4.457   9.197
  380    HB3  TYR  50           HB1      TYR  50   0.260   3.741  10.106
  381    HD1  TYR  50           HD2      TYR  50   1.309   6.666   8.134
  382    HD2  TYR  50           HD1      TYR  50  -1.926   4.946  10.322
  383    HE1  TYR  50           HE2      TYR  50  -0.217   8.262   7.097
  384    HE2  TYR  50           HE1      TYR  50  -3.470   6.563   9.277
  385    HH   TYR  50           HH       TYR  50  -2.604   8.454   6.586
  386    H    LYS  51           HN       LYS  51   4.032   5.067  11.573
  387    HA   LYS  51           HA       LYS  51   5.675   3.701  12.268
  388    HB2  LYS  51           HB2      LYS  51   3.433   2.475  13.906
  389    HB3  LYS  51           HB1      LYS  51   5.030   1.745  13.912
  390    HG2  LYS  51           HG2      LYS  51   4.805   3.150  15.856
  391    HG3  LYS  51           HG1      LYS  51   5.985   3.876  14.763
  392    HD2  LYS  51           HD2      LYS  51   4.243   5.460  13.958
  393    HD3  LYS  51           HD1      LYS  51   3.078   4.736  15.069
  394    HE2  LYS  51           HE2      LYS  51   4.420   5.482  16.987
  395    HE3  LYS  51           HE1      LYS  51   5.635   6.153  15.894
  396    HZ1  LYS  51           HZ1      LYS  51   4.146   7.858  16.712
  397    HZ2  LYS  51           HZ2      LYS  51   2.810   7.038  16.086
  398    HZ3  LYS  51           HZ3      LYS  51   3.971   7.680  15.040
  399    H    ILE  52           HN       ILE  52   4.278   3.191   9.788
  400    HA   ILE  52           HA       ILE  52   4.364   0.247   9.427
  401    HB   ILE  52           HB       ILE  52   3.072   0.648   7.328
  402   HG12  ILE  52          HG12      ILE  52   3.102   3.579   8.201
  403   HG13  ILE  52          HG11      ILE  52   3.828   2.917   6.740
  404   HG21  ILE  52          HG21      ILE  52   1.788   1.881   9.799
  405   HG22  ILE  52          HG22      ILE  52   1.874   0.159   9.424
  406   HG23  ILE  52          HG23      ILE  52   0.921   1.232   8.401
  407   HD11  ILE  52          HD11      ILE  52   1.581   2.367   5.898
  408   HD12  ILE  52          HD12      ILE  52   1.781   4.087   6.230
  409   HD13  ILE  52          HD13      ILE  52   0.876   3.076   7.356
  410    H    LYS  53           HN       LYS  53   5.153  -0.397   7.093
  411    HA   LYS  53           HA       LYS  53   7.329   1.278   6.053
  412    HB2  LYS  53           HB2      LYS  53   8.354  -0.144   7.852
  413    HB3  LYS  53           HB1      LYS  53   7.826  -1.591   7.009
  414    HG2  LYS  53           HG2      LYS  53   9.655   0.384   5.620
  415    HG3  LYS  53           HG1      LYS  53  10.318  -0.747   6.798
  416    HD2  LYS  53           HD2      LYS  53   9.437  -2.650   5.438
  417    HD3  LYS  53           HD1      LYS  53   8.813  -1.503   4.252
  418    HE2  LYS  53           HE2      LYS  53  11.083  -0.768   3.719
  419    HE3  LYS  53           HE1      LYS  53  11.749  -1.814   4.974
  420    HZ1  LYS  53           HZ1      LYS  53  11.938  -2.774   2.761
  421    HZ2  LYS  53           HZ2      LYS  53  10.255  -2.748   2.589
  422    HZ3  LYS  53           HZ3      LYS  53  10.973  -3.727   3.765
  423    H    PHE  54           HN       PHE  54   7.393   1.202   3.894
  424    HA   PHE  54           HA       PHE  54   6.507  -1.199   2.432
  425    HB2  PHE  54           HB2      PHE  54   5.776   0.745   0.605
  426    HB3  PHE  54           HB1      PHE  54   4.668  -0.049   1.710
  427    HD1  PHE  54           HD2      PHE  54   3.995   1.121   3.849
  428    HD2  PHE  54           HD1      PHE  54   6.174   3.113   0.764
  429    HE1  PHE  54           HE2      PHE  54   3.234   3.287   4.687
  430    HE2  PHE  54           HE1      PHE  54   5.406   5.270   1.634
  431    HZ   PHE  54           HZ       PHE  54   3.932   5.367   3.590
  432    H    ALA  55           HN       ALA  55   7.345  -1.381   0.318
  433    HA   ALA  55           HA       ALA  55  10.095  -0.329   0.033
  434    HB1  ALA  55           HB1      ALA  55   8.810  -2.825  -1.165
  435    HB2  ALA  55           HB2      ALA  55   9.925  -2.792   0.202
  436    HB3  ALA  55           HB3      ALA  55  10.484  -2.314  -1.399
  437    H    LEU  56           HN       LEU  56  10.761   0.180  -2.176
  438    HA   LEU  56           HA       LEU  56   8.905   1.965  -3.469
  439    HB2  LEU  56           HB2      LEU  56  11.564   2.049  -3.275
  440    HB3  LEU  56           HB1      LEU  56  11.543   1.073  -4.727
  441    HG   LEU  56           HG       LEU  56  11.930   3.507  -5.146
  442   HD11  LEU  56          HD11      LEU  56  11.021   2.167  -6.959
  443   HD12  LEU  56          HD12      LEU  56  10.440   3.827  -7.024
  444   HD13  LEU  56          HD13      LEU  56   9.376   2.545  -6.439
  445   HD21  LEU  56          HD21      LEU  56  10.551   4.431  -3.346
  446   HD22  LEU  56          HD22      LEU  56   9.084   3.942  -4.199
  447   HD23  LEU  56          HD23      LEU  56  10.158   5.154  -4.902
  448    H    GLY  57           HN       GLY  57   9.933  -1.376  -3.999
  449    HA2  GLY  57           HA2      GLY  57   8.858  -1.874  -6.570
  450    HA3  GLY  57           HA1      GLY  57   9.038  -3.070  -5.284
  451    H    GLU  58           HN       GLU  58   7.340  -1.845  -3.348
  452    HA   GLU  58           HA       GLU  58   4.706  -2.600  -4.221
  453    HB2  GLU  58           HB2      GLU  58   5.609  -1.215  -1.656
  454    HB3  GLU  58           HB1      GLU  58   3.976  -1.816  -1.946
  455    HG2  GLU  58           HG2      GLU  58   4.873  -4.113  -2.153
  456    HG3  GLU  58           HG1      GLU  58   6.499  -3.510  -1.813
  457    H    LEU  59           HN       LEU  59   6.464   0.425  -3.958
  458    HA   LEU  59           HA       LEU  59   4.283   2.218  -4.355
  459    HB2  LEU  59           HB2      LEU  59   7.280   2.446  -4.543
  460    HB3  LEU  59           HB1      LEU  59   6.328   3.713  -5.277
  461    HG   LEU  59           HG       LEU  59   7.114   4.289  -2.988
  462   HD11  LEU  59          HD11      LEU  59   4.974   5.128  -2.153
  463   HD12  LEU  59          HD12      LEU  59   4.114   4.079  -3.279
  464   HD13  LEU  59          HD13      LEU  59   5.152   5.370  -3.886
  465   HD21  LEU  59          HD21      LEU  59   6.103   3.248  -1.014
  466   HD22  LEU  59          HD22      LEU  59   7.042   2.082  -1.940
  467   HD23  LEU  59          HD23      LEU  59   5.278   2.063  -2.038
  468    H    GLN  60           HN       GLN  60   6.351   0.386  -6.552
  469    HA   GLN  60           HA       GLN  60   5.374   1.567  -8.974
  470    HB2  GLN  60           HB2      GLN  60   6.633  -1.173  -8.532
  471    HB3  GLN  60           HB1      GLN  60   6.408  -0.393 -10.095
  472    HG2  GLN  60           HG2      GLN  60   8.253   0.499  -7.852
  473    HG3  GLN  60           HG1      GLN  60   8.721  -0.166  -9.416
  474   HE21  GLN  60          HE21      GLN  60   7.584   2.662  -7.723
  475   HE22  GLN  60          HE22      GLN  60   7.821   3.791  -9.011
  476    H    LYS  61           HN       LYS  61   4.157  -0.837  -6.784
  477    HA   LYS  61           HA       LYS  61   2.055  -1.817  -8.547
  478    HB2  LYS  61           HB2      LYS  61   2.673  -2.237  -5.589
  479    HB3  LYS  61           HB1      LYS  61   1.224  -2.892  -6.350
  480    HG2  LYS  61           HG2      LYS  61   4.075  -3.542  -7.180
  481    HG3  LYS  61           HG1      LYS  61   3.035  -4.563  -6.178
  482    HD2  LYS  61           HD2      LYS  61   1.396  -4.682  -8.074
  483    HD3  LYS  61           HD1      LYS  61   2.519  -3.760  -9.077
  484    HE2  LYS  61           HE2      LYS  61   4.159  -5.590  -8.935
  485    HE3  LYS  61           HE1      LYS  61   3.084  -6.488  -7.858
  486    HZ1  LYS  61           HZ1      LYS  61   1.440  -6.545  -9.641
  487    HZ2  LYS  61           HZ2      LYS  61   2.889  -7.288 -10.089
  488    HZ3  LYS  61           HZ3      LYS  61   2.521  -5.747 -10.673
  489    H    LEU  62           HN       LEU  62   2.519   1.050  -6.839
  490    HA   LEU  62           HA       LEU  62  -0.384   1.575  -6.502
  491    HB2  LEU  62           HB2      LEU  62   1.914   3.410  -5.672
  492    HB3  LEU  62           HB1      LEU  62   0.226   3.485  -5.170
  493    HG   LEU  62           HG       LEU  62   2.285   1.413  -4.343
  494   HD11  LEU  62          HD11      LEU  62   2.543   3.573  -3.245
  495   HD12  LEU  62          HD12      LEU  62   2.035   2.328  -2.113
  496   HD13  LEU  62          HD13      LEU  62   0.865   3.514  -2.695
  497   HD21  LEU  62          HD21      LEU  62   0.548   0.438  -2.880
  498   HD22  LEU  62          HD22      LEU  62   0.137   0.288  -4.585
  499   HD23  LEU  62          HD23      LEU  62  -0.655   1.515  -3.597
  500    H    LYS  63           HN       LYS  63  -1.355   2.734  -8.125
  501    HA   LYS  63           HA       LYS  63   0.310   4.347  -9.969
  502    HB2  LYS  63           HB2      LYS  63  -1.143   2.316 -10.772
  503    HB3  LYS  63           HB1      LYS  63  -2.524   3.375 -10.535
  504    HG2  LYS  63           HG2      LYS  63  -0.199   4.146 -12.319
  505    HG3  LYS  63           HG1      LYS  63  -1.519   3.141 -12.911
  506    HD2  LYS  63           HD2      LYS  63  -3.133   4.965 -12.410
  507    HD3  LYS  63           HD1      LYS  63  -1.817   5.969 -11.802
  508    HE2  LYS  63           HE2      LYS  63  -0.780   6.003 -14.021
  509    HE3  LYS  63           HE1      LYS  63  -2.031   4.934 -14.646
  510    HZ1  LYS  63           HZ1      LYS  63  -2.444   7.221 -15.230
  511    HZ2  LYS  63           HZ2      LYS  63  -2.468   7.673 -13.604
  512    HZ3  LYS  63           HZ3      LYS  63  -3.665   6.647 -14.210
  513    H    ASN  64           HN       ASN  64  -2.239   4.414  -7.602
  514    HA   ASN  64           HA       ASN  64  -2.650   7.326  -7.984
  515    HB2  ASN  64           HB2      ASN  64  -4.894   5.287  -7.522
  516    HB3  ASN  64           HB1      ASN  64  -5.093   7.038  -7.597
  517   HD21  ASN  64          HD21      ASN  64  -4.491   4.137  -9.449
  518   HD22  ASN  64          HD22      ASN  64  -4.803   4.831 -11.003
  519    H    VAL  65           HN       VAL  65  -3.874   8.256  -6.098
  520    HA   VAL  65           HA       VAL  65  -2.772   7.769  -3.566
  521    HB   VAL  65           HB       VAL  65  -5.400   9.227  -4.132
  522   HG11  VAL  65          HG11      VAL  65  -4.916  10.460  -2.034
  523   HG12  VAL  65          HG12      VAL  65  -3.451   9.505  -1.796
  524   HG13  VAL  65          HG13      VAL  65  -5.033   8.725  -1.729
  525   HG21  VAL  65          HG21      VAL  65  -3.582  10.171  -5.520
  526   HG22  VAL  65          HG22      VAL  65  -2.604  10.412  -4.074
  527   HG23  VAL  65          HG23      VAL  65  -4.108  11.310  -4.281
  528    H    GLY  66           HN       GLY  66  -5.720   6.623  -5.138
  529    HA2  GLY  66           HA2      GLY  66  -6.967   5.416  -2.881
  530    HA3  GLY  66           HA1      GLY  66  -7.266   5.017  -4.570
  531    H    ASP  67           HN       ASP  67  -4.635   4.241  -5.281
  532    HA   ASP  67           HA       ASP  67  -4.384   1.581  -4.295
  533    HB2  ASP  67           HB2      ASP  67  -2.389   3.316  -5.829
  534    HB3  ASP  67           HB1      ASP  67  -2.141   1.605  -5.476
  535    H    LEU  68           HN       LEU  68  -2.701   4.636  -3.577
  536    HA   LEU  68           HA       LEU  68  -0.877   3.615  -1.651
  537    HB2  LEU  68           HB2      LEU  68  -0.497   5.719  -2.858
  538    HB3  LEU  68           HB1      LEU  68  -1.940   6.417  -2.153
  539    HG   LEU  68           HG       LEU  68  -0.862   6.403   0.091
  540   HD11  LEU  68          HD11      LEU  68   1.629   5.406  -1.336
  541   HD12  LEU  68          HD12      LEU  68   0.668   4.494  -0.168
  542   HD13  LEU  68          HD13      LEU  68   1.538   5.938   0.345
  543   HD21  LEU  68          HD21      LEU  68   0.753   7.814  -2.053
  544   HD22  LEU  68          HD22      LEU  68   0.736   8.222  -0.337
  545   HD23  LEU  68          HD23      LEU  68  -0.728   8.411  -1.296
  546    H    ALA  69           HN       ALA  69  -4.200   4.655  -1.478
  547    HA   ALA  69           HA       ALA  69  -4.419   4.956   1.373
  548    HB1  ALA  69           HB1      ALA  69  -6.871   5.001   0.933
  549    HB2  ALA  69           HB2      ALA  69  -6.569   4.538  -0.744
  550    HB3  ALA  69           HB3      ALA  69  -5.989   6.089  -0.139
  551    H    ASP  70           HN       ASP  70  -5.283   2.535  -0.992
  552    HA   ASP  70           HA       ASP  70  -6.105   0.420   0.654
  553    HB2  ASP  70           HB2      ASP  70  -6.461   0.509  -1.820
  554    HB3  ASP  70           HB1      ASP  70  -4.732   0.307  -2.074
  555    H    LEU  71           HN       LEU  71  -2.936   1.471  -0.433
  556    HA   LEU  71           HA       LEU  71  -1.363  -0.713   0.423
  557    HB2  LEU  71           HB2      LEU  71  -0.590   0.917  -1.212
  558    HB3  LEU  71           HB1      LEU  71  -0.696   2.220  -0.060
  559    HG   LEU  71           HG       LEU  71   1.643   1.403  -0.712
  560   HD11  LEU  71          HD11      LEU  71   1.267   2.876   1.181
  561   HD12  LEU  71          HD12      LEU  71   2.613   1.777   1.450
  562   HD13  LEU  71          HD13      LEU  71   1.066   1.480   2.245
  563   HD21  LEU  71          HD21      LEU  71   1.234  -1.008  -0.634
  564   HD22  LEU  71          HD22      LEU  71   0.989  -0.927   1.116
  565   HD23  LEU  71          HD23      LEU  71   2.569  -0.544   0.422
  566    H    VAL  72           HN       VAL  72  -1.929   2.482   1.970
  567    HA   VAL  72           HA       VAL  72  -0.628   1.969   4.414
  568    HB   VAL  72           HB       VAL  72  -2.926   3.909   3.809
  569   HG11  VAL  72          HG11      VAL  72  -2.833   3.480   6.241
  570   HG12  VAL  72          HG12      VAL  72  -2.296   5.119   5.877
  571   HG13  VAL  72          HG13      VAL  72  -1.110   3.868   6.256
  572   HG21  VAL  72          HG21      VAL  72  -0.866   4.328   2.502
  573   HG22  VAL  72          HG22      VAL  72   0.075   4.397   3.994
  574   HG23  VAL  72          HG23      VAL  72  -1.155   5.623   3.667
  575    H    ASP  73           HN       ASP  73  -3.929   1.351   3.331
  576    HA   ASP  73           HA       ASP  73  -5.131   0.410   5.700
  577    HB2  ASP  73           HB2      ASP  73  -6.598   0.918   3.919
  578    HB3  ASP  73           HB1      ASP  73  -5.640   0.033   2.746
  579    H    LYS  74           HN       LYS  74  -3.275  -1.257   3.206
  580    HA   LYS  74           HA       LYS  74  -3.547  -3.924   4.260
  581    HB2  LYS  74           HB2      LYS  74  -1.533  -2.778   2.274
  582    HB3  LYS  74           HB1      LYS  74  -1.609  -4.488   2.698
  583    HG2  LYS  74           HG2      LYS  74  -3.803  -2.878   1.364
  584    HG3  LYS  74           HG1      LYS  74  -2.743  -4.046   0.572
  585    HD2  LYS  74           HD2      LYS  74  -3.736  -5.879   1.855
  586    HD3  LYS  74           HD1      LYS  74  -4.674  -4.741   2.828
  587    HE2  LYS  74           HE2      LYS  74  -5.014  -5.192  -0.158
  588    HE3  LYS  74           HE1      LYS  74  -6.064  -5.830   1.111
  589    HZ1  LYS  74           HZ1      LYS  74  -6.979  -3.824   0.119
  590    HZ2  LYS  74           HZ2      LYS  74  -5.598  -2.952   0.543
  591    HZ3  LYS  74           HZ3      LYS  74  -6.615  -3.563   1.746
  592    H    LYS  75           HN       LYS  75  -1.205  -1.321   4.702
  593    HA   LYS  75           HA       LYS  75   0.727  -2.798   6.204
  594    HB2  LYS  75           HB2      LYS  75   0.176   0.196   6.048
  595    HB3  LYS  75           HB1      LYS  75   1.594  -0.525   6.807
  596    HG2  LYS  75           HG2      LYS  75   0.868  -0.670   3.864
  597    HG3  LYS  75           HG1      LYS  75   2.147   0.317   4.586
  598    HD2  LYS  75           HD2      LYS  75   3.358  -1.694   5.274
  599    HD3  LYS  75           HD1      LYS  75   2.051  -2.728   4.688
  600    HE2  LYS  75           HE2      LYS  75   2.489  -1.981   2.386
  601    HE3  LYS  75           HE1      LYS  75   3.772  -0.921   2.971
  602    HZ1  LYS  75           HZ1      LYS  75   3.718  -3.870   3.159
  603    HZ2  LYS  75           HZ2      LYS  75   4.933  -2.877   3.790
  604    HZ3  LYS  75           HZ3      LYS  75   4.679  -2.947   2.121
  605    H    LEU  76           HN       LEU  76  -2.024  -0.743   7.036
  606    HA   LEU  76           HA       LEU  76  -1.832  -0.939   9.847
  607    HB2  LEU  76           HB2      LEU  76  -4.273  -0.438   8.101
  608    HB3  LEU  76           HB1      LEU  76  -4.264  -0.289   9.851
  609    HG   LEU  76           HG       LEU  76  -2.676   1.442   7.913
  610   HD11  LEU  76          HD11      LEU  76  -5.052   1.948   7.850
  611   HD12  LEU  76          HD12      LEU  76  -4.158   3.265   8.606
  612   HD13  LEU  76          HD13      LEU  76  -5.087   2.143   9.607
  613   HD21  LEU  76          HD21      LEU  76  -2.805   1.635  10.941
  614   HD22  LEU  76          HD22      LEU  76  -2.013   2.788   9.864
  615   HD23  LEU  76          HD23      LEU  76  -1.405   1.139   9.984
  616    H    ALA  77           HN       ALA  77  -3.192  -3.050   7.339
  617    HA   ALA  77           HA       ALA  77  -4.578  -4.845   9.082
  618    HB1  ALA  77           HB1      ALA  77  -4.664  -6.365   7.137
  619    HB2  ALA  77           HB2      ALA  77  -3.502  -5.346   6.283
  620    HB3  ALA  77           HB3      ALA  77  -5.100  -4.718   6.673
  621    H    ARG  78           HN       ARG  78  -1.240  -4.662   7.864
  622    HA   ARG  78           HA       ARG  78  -0.285  -7.138   8.900
  623    HB2  ARG  78           HB2      ARG  78   1.348  -4.580   8.595
  624    HB3  ARG  78           HB1      ARG  78   1.982  -6.218   8.710
  625    HG2  ARG  78           HG2      ARG  78   0.395  -5.042   6.412
  626    HG3  ARG  78           HG1      ARG  78   2.116  -5.417   6.418
  627    HD2  ARG  78           HD2      ARG  78   1.566  -7.831   6.648
  628    HD3  ARG  78           HD1      ARG  78  -0.157  -7.429   6.615
  629    HE   ARG  78           HE       ARG  78   1.428  -6.525   4.330
  630   HH11  ARG  78          HH11      ARG  78  -0.771  -9.009   5.533
  631   HH12  ARG  78          HH12      ARG  78  -1.153  -9.591   3.944
  632   HH21  ARG  78          HH21      ARG  78   0.898  -7.289   2.282
  633   HH22  ARG  78          HH22      ARG  78  -0.186  -8.632   2.101
  634    H    LYS  79           HN       LYS  79  -1.077  -4.107  10.382
  635    HA   LYS  79           HA       LYS  79   0.167  -4.758  12.985
  636    HB2  LYS  79           HB2      LYS  79  -1.425  -2.332  12.043
  637    HB3  LYS  79           HB1      LYS  79  -0.801  -2.532  13.683
  638    HG2  LYS  79           HG2      LYS  79   1.513  -2.706  12.696
  639    HG3  LYS  79           HG1      LYS  79   0.814  -2.267  11.130
  640    HD2  LYS  79           HD2      LYS  79   0.105  -0.108  11.989
  641    HD3  LYS  79           HD1      LYS  79   0.556  -0.568  13.635
  642    HE2  LYS  79           HE2      LYS  79   2.493  -0.229  11.323
  643    HE3  LYS  79           HE1      LYS  79   2.208   0.940  12.608
  644    HZ1  LYS  79           HZ1      LYS  79   2.988  -0.710  14.204
  645    HZ2  LYS  79           HZ2      LYS  79   4.172  -0.324  13.065
  646    HZ3  LYS  79           HZ3      LYS  79   3.326  -1.783  12.949
  647    H    LEU  80           HN       LEU  80  -2.915  -4.749  11.370
  648    HA   LEU  80           HA       LEU  80  -4.529  -5.032  13.790
  649    HB2  LEU  80           HB2      LEU  80  -5.064  -4.417  10.890
  650    HB3  LEU  80           HB1      LEU  80  -6.334  -5.275  11.726
  651    HG   LEU  80           HG       LEU  80  -6.687  -2.796  11.624
  652   HD11  LEU  80          HD11      LEU  80  -7.390  -2.511  13.944
  653   HD12  LEU  80          HD12      LEU  80  -6.429  -3.915  14.418
  654   HD13  LEU  80          HD13      LEU  80  -7.800  -4.108  13.326
  655   HD21  LEU  80          HD21      LEU  80  -5.410  -1.289  13.094
  656   HD22  LEU  80          HD22      LEU  80  -4.388  -2.001  11.855
  657   HD23  LEU  80          HD23      LEU  80  -4.307  -2.608  13.507
  658    H    GLU  81           HN       GLU  81  -2.718  -7.083  13.485
  659    HA   GLU  81           HA       GLU  81  -4.032  -9.477  12.491
  660    HB2  GLU  81           HB2      GLU  81  -1.386  -8.885  13.877
  661    HB3  GLU  81           HB1      GLU  81  -1.920 -10.538  13.593
  662    HG2  GLU  81           HG2      GLU  81  -1.564  -8.469  11.400
  663    HG3  GLU  81           HG1      GLU  81  -0.309  -9.610  11.892
  664    H    HIS  82           HN       HIS  82  -5.697  -8.274  14.224
  665    HA   HIS  82           HA       HIS  82  -5.475  -9.470  16.875
  666    HB2  HIS  82           HB2      HIS  82  -7.700  -7.752  15.689
  667    HB3  HIS  82           HB1      HIS  82  -7.549  -8.226  17.372
  668    HD1  HIS  82           HD1      HIS  82  -7.551  -5.288  15.975
  669    HD2  HIS  82           HD2      HIS  82  -4.386  -7.287  17.756
  670    HE1  HIS  82           HE1      HIS  82  -5.949  -3.502  16.697
  671    HE2  HIS  82           HE2      HIS  82  -4.183  -4.729  17.995
  672    H    HIS  83           HN       HIS  83  -5.415 -11.612  15.717
  673    HA   HIS  83           HA       HIS  83  -7.855 -12.655  14.561
  674    HB2  HIS  83           HB2      HIS  83  -5.273 -14.062  15.406
  675    HB3  HIS  83           HB1      HIS  83  -6.615 -14.857  14.590
  676    HD1  HIS  83           HD1      HIS  83  -6.578 -14.817  12.097
  677    HD2  HIS  83           HD2      HIS  83  -3.996 -12.005  13.717
  678    HE1  HIS  83           HE1      HIS  83  -5.274 -13.912  10.157
  679    HE2  HIS  83           HE2      HIS  83  -3.706 -12.218  11.157
  680    H    HIS  84           HN       HIS  84  -9.310 -12.141  16.225
  681    HA   HIS  84           HA       HIS  84  -9.139 -13.264  18.884
  682    HB2  HIS  84           HB2      HIS  84 -11.213 -11.616  17.418
  683    HB3  HIS  84           HB1      HIS  84 -11.608 -12.366  18.959
  684    HD1  HIS  84           HD1      HIS  84  -9.284  -9.775  17.472
  685    HD2  HIS  84           HD2      HIS  84 -10.750 -11.003  21.154
  686    HE1  HIS  84           HE1      HIS  84  -8.541  -8.026  19.112
  687    HE2  HIS  84           HE2      HIS  84  -9.670  -8.673  21.267
  688    H    HIS  85           HN       HIS  85  -9.675 -14.789  16.074
  689    HA   HIS  85           HA       HIS  85 -10.147 -16.922  15.616
  690    HB2  HIS  85           HB2      HIS  85 -10.709 -17.217  18.594
  691    HB3  HIS  85           HB1      HIS  85 -10.489 -18.554  17.466
  692    HD1  HIS  85           HD1      HIS  85  -8.645 -16.511  19.781
  693    HD2  HIS  85           HD2      HIS  85  -7.778 -18.420  16.196
  694    HE1  HIS  85           HE1      HIS  85  -6.141 -16.604  19.667
  695    HE2  HIS  85           HE2      HIS  85  -5.641 -17.617  17.415
  696    H    HIS  86           HN       HIS  86 -12.181 -14.818  15.558
  697    HA   HIS  86           HA       HIS  86 -14.466 -16.587  15.006
  698    HB2  HIS  86           HB2      HIS  86 -16.103 -15.109  15.980
  699    HB3  HIS  86           HB1      HIS  86 -14.903 -15.415  17.218
  700    HD1  HIS  86           HD1      HIS  86 -16.921 -12.818  16.208
  701    HD2  HIS  86           HD2      HIS  86 -12.839 -13.043  16.913
  702    HE1  HIS  86           HE1      HIS  86 -16.196 -10.460  16.667
  703    HE2  HIS  86           HE2      HIS  86 -13.763 -10.655  17.287
  704    H    HIS  87           HN       HIS  87 -15.623 -16.038  13.193
  705    HA   HIS  87           HA       HIS  87 -15.987 -15.343  11.097
  706    HB2  HIS  87           HB2      HIS  87 -15.067 -12.653  12.200
  707    HB3  HIS  87           HB1      HIS  87 -15.716 -12.854  10.576
  708    HD1  HIS  87           HD1      HIS  87 -18.180 -12.682  10.341
  709    HD2  HIS  87           HD2      HIS  87 -17.060 -13.347  14.289
  710    HE1  HIS  87           HE1      HIS  87 -20.290 -12.436  11.683
  711    HE2  HIS  87           HE2      HIS  87 -19.605 -12.923  14.062
  712   H282  PNS  88          H282      PNS  88   7.189  11.514 -10.662
  713   H281  PNS  88          H281      PNS  88   7.280  11.144 -12.384
  714   H303  PNS  88          H303      PNS  88   4.028   9.655 -11.267
  715   H302  PNS  88          H302      PNS  88   4.737  11.208 -10.827
  716   H301  PNS  88          H301      PNS  88   4.780  10.673 -12.508
  717   H313  PNS  88          H313      PNS  88   5.382   8.459  -9.579
  718   H312  PNS  88          H312      PNS  88   7.146   8.559  -9.571
  719   H311  PNS  88          H311      PNS  88   6.183   9.945  -9.056
  720    H32  PNS  88           H32      PNS  88   6.658   8.895 -13.238
  721    H33  PNS  88           H33      PNS  88   7.336   6.738 -12.072
  722    H36  PNS  88           H36      PNS  88   5.391   6.904 -10.524
  723   H372  PNS  88          H372      PNS  88   2.814   6.415 -11.663
  724   H371  PNS  88          H371      PNS  88   3.907   5.050 -11.936
  725   H382  PNS  88          H382      PNS  88   2.627   4.674  -9.909
  726   H381  PNS  88          H381      PNS  88   4.322   4.925  -9.498
  727    H41  PNS  88           H41      PNS  88   1.306   6.826  -9.926
  728   H422  PNS  88          H422      PNS  88   2.043   8.895  -8.024
  729   H421  PNS  88          H421      PNS  88   0.546   8.763  -8.940
  730   H431  PNS  88          H431      PNS  88  -0.148   6.918  -7.362
  731   H432  PNS  88          H432      PNS  88  -0.050   8.516  -6.642
  732    H44  PNS  88           H44      PNS  88   2.868   7.373  -6.117
  Start of MODEL    7
    1    H1   MET   1           HT1      MET   1 -13.833   3.441   7.276
    2    H2   MET   1           HT2      MET   1 -13.541   1.781   7.205
    3    H3   MET   1           HT3      MET   1 -13.586   2.695   5.784
    4    HA   MET   1           HA       MET   1 -11.613   2.981   7.953
    5    HB2  MET   1           HB2      MET   1 -11.319   1.753   5.173
    6    HB3  MET   1           HB1      MET   1  -9.978   2.056   6.273
    7    HG2  MET   1           HG2      MET   1 -10.555  -0.278   6.357
    8    HG3  MET   1           HG1      MET   1 -11.013   0.463   7.896
    9    HE1  MET   1           HE1      MET   1 -12.605  -1.664   8.472
   10    HE2  MET   1           HE2      MET   1 -12.118  -2.411   6.948
   11    HE3  MET   1           HE3      MET   1 -13.828  -2.270   7.354
   12    HA   PRO   2           HA       PRO   2 -11.043   6.983   5.950
   13    HB2  PRO   2           HB2      PRO   2  -9.267   8.021   7.649
   14    HB3  PRO   2           HB1      PRO   2 -10.828   7.450   8.262
   15    HG2  PRO   2           HG2      PRO   2  -8.123   6.181   8.494
   16    HG3  PRO   2           HG1      PRO   2  -9.488   6.133   9.628
   17    HD2  PRO   2           HD2      PRO   2  -8.789   4.166   7.614
   18    HD3  PRO   2           HD1      PRO   2 -10.179   4.134   8.723
   19    H    THR   3           HN       THR   3  -9.871   5.113   4.330
   20    HA   THR   3           HA       THR   3  -7.038   5.100   4.236
   21    HB   THR   3           HB       THR   3  -7.347   3.886   2.085
   22    HG1  THR   3           HG1      THR   3  -9.114   4.682   1.113
   23   HG21  THR   3          HG21      THR   3  -7.500   2.648   4.223
   24   HG22  THR   3          HG22      THR   3  -8.566   1.961   2.999
   25   HG23  THR   3          HG23      THR   3  -9.238   2.968   4.282
   26    H    LEU   4           HN       LEU   4  -9.429   7.106   2.576
   27    HA   LEU   4           HA       LEU   4  -7.334   8.631   1.191
   28    HB2  LEU   4           HB2      LEU   4 -10.353   9.043   1.302
   29    HB3  LEU   4           HB1      LEU   4  -9.239   9.996   0.331
   30    HG   LEU   4           HG       LEU   4  -9.846   7.030  -0.053
   31   HD11  LEU   4          HD11      LEU   4 -10.625   9.411  -1.774
   32   HD12  LEU   4          HD12      LEU   4 -11.706   8.464  -0.751
   33   HD13  LEU   4          HD13      LEU   4 -10.939   7.709  -2.145
   34   HD21  LEU   4          HD21      LEU   4  -7.513   7.499  -0.647
   35   HD22  LEU   4          HD22      LEU   4  -8.018   8.831  -1.691
   36   HD23  LEU   4          HD23      LEU   4  -8.464   7.171  -2.095
   37    H    ASP   5           HN       ASP   5  -9.820   9.063   3.724
   38    HA   ASP   5           HA       ASP   5  -9.558  11.826   4.164
   39    HB2  ASP   5           HB2      ASP   5 -11.550  10.638   4.871
   40    HB3  ASP   5           HB1      ASP   5 -10.623   9.602   5.951
   41    H    ALA   6           HN       ALA   6  -8.209   9.182   6.075
   42    HA   ALA   6           HA       ALA   6  -6.928  10.681   8.089
   43    HB1  ALA   6           HB1      ALA   6  -6.150   7.940   7.041
   44    HB2  ALA   6           HB2      ALA   6  -7.314   8.266   8.324
   45    HB3  ALA   6           HB3      ALA   6  -5.608   8.646   8.565
   46    H    LEU   7           HN       LEU   7  -5.866   9.646   4.895
   47    HA   LEU   7           HA       LEU   7  -3.122  10.445   5.218
   48    HB2  LEU   7           HB2      LEU   7  -4.627   9.806   2.651
   49    HB3  LEU   7           HB1      LEU   7  -2.883   9.950   2.822
   50    HG   LEU   7           HG       LEU   7  -4.675   7.746   3.899
   51   HD11  LEU   7          HD11      LEU   7  -3.288   6.283   2.500
   52   HD12  LEU   7          HD12      LEU   7  -2.351   7.674   1.948
   53   HD13  LEU   7          HD13      LEU   7  -4.065   7.546   1.545
   54   HD21  LEU   7          HD21      LEU   7  -3.053   8.260   5.665
   55   HD22  LEU   7          HD22      LEU   7  -1.719   8.135   4.515
   56   HD23  LEU   7          HD23      LEU   7  -2.680   6.710   4.916
   57    H    THR   8           HN       THR   8  -6.076  12.099   4.299
   58    HA   THR   8           HA       THR   8  -5.107  13.935   2.435
   59    HB   THR   8           HB       THR   8  -7.390  14.370   4.388
   60    HG1  THR   8           HG1      THR   8  -7.191  12.539   2.644
   61   HG21  THR   8          HG21      THR   8  -6.715  16.509   3.337
   62   HG22  THR   8          HG22      THR   8  -8.271  15.966   2.709
   63   HG23  THR   8          HG23      THR   8  -6.813  15.758   1.737
   64    HA   PRO   9           HA       PRO   9  -4.036  17.133   6.106
   65    HB2  PRO   9           HB2      PRO   9  -3.480  15.201   8.345
   66    HB3  PRO   9           HB1      PRO   9  -4.216  16.810   8.408
   67    HG2  PRO   9           HG2      PRO   9  -5.736  14.639   8.683
   68    HG3  PRO   9           HG1      PRO   9  -6.318  16.014   7.716
   69    HD2  PRO   9           HD2      PRO   9  -5.100  13.414   6.767
   70    HD3  PRO   9           HD1      PRO   9  -6.533  14.272   6.156
   71    H    ILE  10           HN       ILE  10  -2.618  13.960   5.650
   72    HA   ILE  10           HA       ILE  10   0.109  14.619   6.301
   73    HB   ILE  10           HB       ILE  10  -0.918  12.328   4.556
   74   HG12  ILE  10          HG12      ILE  10  -1.934  12.223   6.798
   75   HG13  ILE  10          HG11      ILE  10  -0.785  10.907   6.591
   76   HG21  ILE  10          HG21      ILE  10   1.220  11.192   5.078
   77   HG22  ILE  10          HG22      ILE  10   1.778  12.628   5.937
   78   HG23  ILE  10          HG23      ILE  10   1.475  12.700   4.201
   79   HD11  ILE  10          HD11      ILE  10  -0.311  13.454   8.136
   80   HD12  ILE  10          HD12      ILE  10   0.855  12.142   7.927
   81   HD13  ILE  10          HD13      ILE  10  -0.646  11.857   8.802
   82    H    PHE  11           HN       PHE  11  -1.792  14.391   3.286
   83    HA   PHE  11           HA       PHE  11   0.321  15.165   1.508
   84    HB2  PHE  11           HB2      PHE  11  -2.712  15.087   1.190
   85    HB3  PHE  11           HB1      PHE  11  -1.649  15.634  -0.102
   86    HD1  PHE  11           HD2      PHE  11  -2.103  12.680   2.172
   87    HD2  PHE  11           HD1      PHE  11  -0.958  14.047  -1.698
   88    HE1  PHE  11           HE2      PHE  11  -1.859  10.357   1.434
   89    HE2  PHE  11           HE1      PHE  11  -0.711  11.710  -2.421
   90    HZ   PHE  11           HZ       PHE  11  -1.158   9.867  -0.871
   91    H    ARG  12           HN       ARG  12  -2.357  16.912   3.100
   92    HA   ARG  12           HA       ARG  12  -1.819  19.491   2.110
   93    HB2  ARG  12           HB2      ARG  12  -3.095  18.619   4.729
   94    HB3  ARG  12           HB1      ARG  12  -3.077  20.289   4.157
   95    HG2  ARG  12           HG2      ARG  12  -4.377  19.597   2.155
   96    HG3  ARG  12           HG1      ARG  12  -4.418  17.942   2.767
   97    HD2  ARG  12           HD2      ARG  12  -5.699  18.648   4.711
   98    HD3  ARG  12           HD1      ARG  12  -5.574  20.344   4.222
   99    HE   ARG  12           HE       ARG  12  -6.728  19.006   2.103
  100   HH11  ARG  12          HH11      ARG  12  -7.591  19.692   5.436
  101   HH12  ARG  12          HH12      ARG  12  -9.294  19.582   5.137
  102   HH21  ARG  12          HH21      ARG  12  -8.945  18.874   1.725
  103   HH22  ARG  12          HH22      ARG  12 -10.069  19.124   3.025
  104    H    GLN  13           HN       GLN  13  -0.263  17.647   4.655
  105    HA   GLN  13           HA       GLN  13   1.169  19.838   5.835
  106    HB2  GLN  13           HB2      GLN  13   0.684  17.694   7.038
  107    HB3  GLN  13           HB1      GLN  13   1.754  16.843   5.935
  108    HG2  GLN  13           HG2      GLN  13   2.966  17.166   7.951
  109    HG3  GLN  13           HG1      GLN  13   3.643  18.294   6.780
  110   HE21  GLN  13          HE21      GLN  13   3.687  18.333   9.731
  111   HE22  GLN  13          HE22      GLN  13   3.030  19.863  10.194
  112    H    VAL  14           HN       VAL  14   2.089  17.177   3.661
  113    HA   VAL  14           HA       VAL  14   4.788  17.883   3.276
  114    HB   VAL  14           HB       VAL  14   2.904  16.156   1.609
  115   HG11  VAL  14          HG11      VAL  14   4.922  15.148   0.561
  116   HG12  VAL  14          HG12      VAL  14   5.932  16.354   1.363
  117   HG13  VAL  14          HG13      VAL  14   4.753  16.857   0.150
  118   HG21  VAL  14          HG21      VAL  14   3.990  14.262   2.745
  119   HG22  VAL  14          HG22      VAL  14   3.302  15.372   3.930
  120   HG23  VAL  14          HG23      VAL  14   5.040  15.371   3.628
  121    H    PHE  15           HN       PHE  15   1.973  18.398   1.154
  122    HA   PHE  15           HA       PHE  15   3.561  19.891  -0.781
  123    HB2  PHE  15           HB2      PHE  15   0.620  19.088  -0.900
  124    HB3  PHE  15           HB1      PHE  15   1.578  19.732  -2.233
  125    HD1  PHE  15           HD2      PHE  15   3.662  18.381  -2.977
  126    HD2  PHE  15           HD1      PHE  15   0.567  16.728  -0.541
  127    HE1  PHE  15           HE2      PHE  15   4.416  16.116  -3.529
  128    HE2  PHE  15           HE1      PHE  15   1.347  14.464  -1.088
  129    HZ   PHE  15           HZ       PHE  15   3.274  14.159  -2.584
  130    H    ASP  16           HN       ASP  16   1.607  20.588   1.923
  131    HA   ASP  16           HA       ASP  16   0.693  22.400   2.862
  132    HB2  ASP  16           HB2      ASP  16   3.106  23.130   2.685
  133    HB3  ASP  16           HB1      ASP  16   2.692  23.999   1.213
  134    H    ASP  17           HN       ASP  17  -1.169  21.741   1.551
  135    HA   ASP  17           HA       ASP  17  -2.334  23.962   0.101
  136    HB2  ASP  17           HB2      ASP  17  -1.105  22.766  -1.709
  137    HB3  ASP  17           HB1      ASP  17  -1.929  21.268  -1.285
  138    H    ASP  18           HN       ASP  18  -4.009  24.106   1.466
  139    HA   ASP  18           HA       ASP  18  -5.259  21.874   2.738
  140    HB2  ASP  18           HB2      ASP  18  -5.023  24.113   3.806
  141    HB3  ASP  18           HB1      ASP  18  -6.136  24.797   2.626
  142    H    SER  19           HN       SER  19  -5.661  23.099  -0.375
  143    HA   SER  19           HA       SER  19  -8.504  22.422  -0.609
  144    HB2  SER  19           HB2      SER  19  -8.228  23.140  -3.011
  145    HB3  SER  19           HB1      SER  19  -7.853  24.397  -1.835
  146    HG   SER  19           HG       SER  19  -5.855  22.748  -2.957
  147    H    ILE  20           HN       ILE  20  -5.654  20.679  -0.555
  148    HA   ILE  20           HA       ILE  20  -6.204  18.606  -2.417
  149    HB   ILE  20           HB       ILE  20  -4.707  18.515   0.251
  150   HG12  ILE  20          HG12      ILE  20  -3.676  18.496  -2.625
  151   HG13  ILE  20          HG11      ILE  20  -3.614  19.864  -1.522
  152   HG21  ILE  20          HG21      ILE  20  -3.827  16.289  -0.422
  153   HG22  ILE  20          HG22      ILE  20  -4.903  16.289  -1.818
  154   HG23  ILE  20          HG23      ILE  20  -5.573  16.258  -0.186
  155   HD11  ILE  20          HD11      ILE  20  -2.122  17.262  -1.214
  156   HD12  ILE  20          HD12      ILE  20  -2.064  18.620  -0.084
  157   HD13  ILE  20          HD13      ILE  20  -1.457  18.811  -1.729
  158    H    VAL  21           HN       VAL  21  -8.207  17.770  -2.456
  159    HA   VAL  21           HA       VAL  21  -9.261  16.461  -0.013
  160    HB   VAL  21           HB       VAL  21 -10.853  17.583  -2.382
  161   HG11  VAL  21          HG11      VAL  21 -11.857  16.070   0.060
  162   HG12  VAL  21          HG12      VAL  21 -11.884  15.496  -1.609
  163   HG13  VAL  21          HG13      VAL  21 -12.884  16.869  -1.133
  164   HG21  VAL  21          HG21      VAL  21 -11.856  19.134  -0.732
  165   HG22  VAL  21          HG22      VAL  21 -10.106  19.350  -0.830
  166   HG23  VAL  21          HG23      VAL  21 -10.811  18.472   0.529
  167    H    LEU  22           HN       LEU  22  -8.596  14.399  -0.232
  168    HA   LEU  22           HA       LEU  22  -7.506  13.437  -2.660
  169    HB2  LEU  22           HB2      LEU  22  -8.015  12.078   0.007
  170    HB3  LEU  22           HB1      LEU  22  -7.247  11.249  -1.342
  171    HG   LEU  22           HG       LEU  22  -6.152  13.706   0.099
  172   HD11  LEU  22          HD11      LEU  22  -5.957  11.662   1.426
  173   HD12  LEU  22          HD12      LEU  22  -4.380  12.211   0.875
  174   HD13  LEU  22          HD13      LEU  22  -5.158  10.842   0.082
  175   HD21  LEU  22          HD21      LEU  22  -5.560  13.793  -2.284
  176   HD22  LEU  22          HD22      LEU  22  -4.930  12.145  -2.211
  177   HD23  LEU  22          HD23      LEU  22  -4.140  13.437  -1.301
  178    H    THR  23           HN       THR  23  -8.166  12.044  -4.088
  179    HA   THR  23           HA       THR  23 -10.722  10.575  -3.799
  180    HB   THR  23           HB       THR  23 -11.061  10.773  -6.250
  181    HG1  THR  23           HG1      THR  23  -9.582  12.574  -7.195
  182   HG21  THR  23          HG21      THR  23 -12.123  12.548  -4.896
  183   HG22  THR  23          HG22      THR  23 -11.608  13.177  -6.460
  184   HG23  THR  23          HG23      THR  23 -10.661  13.535  -5.014
  185    H    ARG  24           HN       ARG  24 -10.581   8.567  -5.257
  186    HA   ARG  24           HA       ARG  24  -8.131   7.209  -4.799
  187    HB2  ARG  24           HB2      ARG  24 -10.593   6.437  -6.386
  188    HB3  ARG  24           HB1      ARG  24  -9.176   5.397  -6.292
  189    HG2  ARG  24           HG2      ARG  24  -9.428   5.487  -3.748
  190    HG3  ARG  24           HG1      ARG  24 -11.006   6.232  -4.025
  191    HD2  ARG  24           HD2      ARG  24 -11.202   3.786  -3.677
  192    HD3  ARG  24           HD1      ARG  24 -11.731   4.255  -5.295
  193    HE   ARG  24           HE       ARG  24  -9.782   3.308  -6.221
  194   HH11  ARG  24          HH11      ARG  24  -9.959   2.679  -2.747
  195   HH12  ARG  24          HH12      ARG  24  -8.730   1.452  -2.804
  196   HH21  ARG  24          HH21      ARG  24  -8.179   1.708  -6.248
  197   HH22  ARG  24          HH22      ARG  24  -7.732   0.915  -4.769
  198    H    GLU  25           HN       GLU  25  -9.133   9.240  -7.437
  199    HA   GLU  25           HA       GLU  25  -7.174   8.081  -9.312
  200    HB2  GLU  25           HB2      GLU  25  -8.219   9.564 -10.971
  201    HB3  GLU  25           HB1      GLU  25  -9.435   8.607 -10.128
  202    HG2  GLU  25           HG2      GLU  25  -9.917  10.580  -8.674
  203    HG3  GLU  25           HG1      GLU  25  -8.789  11.533  -9.636
  204    H    THR  26           HN       THR  26  -7.115  10.419  -6.872
  205    HA   THR  26           HA       THR  26  -5.635  12.548  -7.963
  206    HB   THR  26           HB       THR  26  -5.525  11.401  -5.131
  207    HG1  THR  26           HG1      THR  26  -7.456  12.685  -6.396
  208   HG21  THR  26          HG21      THR  26  -4.740  13.650  -4.428
  209   HG22  THR  26          HG22      THR  26  -4.590  14.123  -6.122
  210   HG23  THR  26          HG23      THR  26  -3.574  12.836  -5.469
  211    H    SER  27           HN       SER  27  -3.748  12.300  -9.083
  212    HA   SER  27           HA       SER  27  -1.611  10.544  -8.012
  213    HB2  SER  27           HB2      SER  27  -2.031  11.115 -10.976
  214    HB3  SER  27           HB1      SER  27  -1.019   9.872 -10.241
  215    HG   SER  27           HG       SER  27  -3.852   9.992 -10.283
  216    H    ALA  28           HN       ALA  28   0.552  11.193  -9.016
  217    HA   ALA  28           HA       ALA  28   1.023  14.058  -8.939
  218    HB1  ALA  28           HB1      ALA  28   2.584  12.634  -7.710
  219    HB2  ALA  28           HB2      ALA  28   3.419  13.339  -9.096
  220    HB3  ALA  28           HB3      ALA  28   2.886  11.653  -9.146
  221    H    ASN  29           HN       ASN  29   0.517  14.985 -11.060
  222    HA   ASN  29           HA       ASN  29   0.452  14.253 -13.473
  223    HB2  ASN  29           HB2      ASN  29   0.035  11.839 -13.010
  224    HB3  ASN  29           HB1      ASN  29  -1.415  12.250 -12.109
  225   HD21  ASN  29          HD21      ASN  29  -3.320  12.727 -13.233
  226   HD22  ASN  29          HD22      ASN  29  -3.488  12.506 -14.938
  227    H    ASP  30           HN       ASP  30  -2.165  13.895 -11.093
  228    HA   ASP  30           HA       ASP  30  -3.892  15.903 -12.226
  229    HB2  ASP  30           HB2      ASP  30  -4.055  14.468  -9.528
  230    HB3  ASP  30           HB1      ASP  30  -5.354  15.399 -10.278
  231    H    ILE  31           HN       ILE  31  -1.205  16.047 -10.143
  232    HA   ILE  31           HA       ILE  31  -1.870  18.780  -9.246
  233    HB   ILE  31           HB       ILE  31  -0.480  16.662  -7.526
  234   HG12  ILE  31          HG12      ILE  31  -3.153  18.081  -7.118
  235   HG13  ILE  31          HG11      ILE  31  -2.958  16.395  -7.583
  236   HG21  ILE  31          HG21      ILE  31  -1.006  19.588  -6.873
  237   HG22  ILE  31          HG22      ILE  31   0.573  18.874  -7.205
  238   HG23  ILE  31          HG23      ILE  31  -0.326  18.394  -5.764
  239   HD11  ILE  31          HD11      ILE  31  -2.162  17.631  -4.942
  240   HD12  ILE  31          HD12      ILE  31  -1.927  15.941  -5.391
  241   HD13  ILE  31          HD13      ILE  31  -3.556  16.598  -5.253
  242    H    ASP  32           HN       ASP  32  -0.428  20.144  -9.994
  243    HA   ASP  32           HA       ASP  32   1.853  19.317 -11.543
  244    HB2  ASP  32           HB2      ASP  32   0.421  21.209 -12.231
  245    HB3  ASP  32           HB1      ASP  32   0.844  22.092 -10.771
  246    H    ALA  33           HN       ALA  33   1.377  20.766  -8.381
  247    HA   ALA  33           HA       ALA  33   4.114  21.484  -7.860
  248    HB1  ALA  33           HB1      ALA  33   2.206  22.663  -6.826
  249    HB2  ALA  33           HB2      ALA  33   3.294  22.011  -5.602
  250    HB3  ALA  33           HB3      ALA  33   1.764  21.197  -5.946
  251    H    TRP  34           HN       TRP  34   2.688  18.483  -7.996
  252    HA   TRP  34           HA       TRP  34   3.952  17.233  -5.685
  253    HB2  TRP  34           HB2      TRP  34   1.595  16.729  -6.550
  254    HB3  TRP  34           HB1      TRP  34   2.337  15.934  -7.927
  255    HD1  TRP  34           HD1      TRP  34   4.621  14.533  -5.753
  256    HE1  TRP  34           HE1      TRP  34   3.788  12.405  -4.594
  257    HE3  TRP  34           HE3      TRP  34  -0.395  15.124  -6.435
  258    HZ2  TRP  34           HZ2      TRP  34   1.362  11.110  -4.069
  259    HZ3  TRP  34           HZ3      TRP  34  -1.906  13.392  -5.588
  260    HH2  TRP  34           HH2      TRP  34  -1.050  11.426  -4.426
  261    H    ASP  35           HN       ASP  35   6.064  17.989  -6.595
  262    HA   ASP  35           HA       ASP  35   7.365  16.780  -8.818
  263    HB2  ASP  35           HB2      ASP  35   8.105  18.900  -7.802
  264    HB3  ASP  35           HB1      ASP  35   8.487  18.085  -6.290
  265    H    SER  36           HN       SER  36   9.302  15.257  -8.675
  266    HA   SER  36           HA       SER  36   9.020  12.800  -7.617
  267    HB2  SER  36           HB2      SER  36  11.618  14.356  -8.008
  268    HB3  SER  36           HB1      SER  36  11.565  12.637  -7.694
  269    H    LEU  37           HN       LEU  37  10.962  15.375  -6.110
  270    HA   LEU  37           HA       LEU  37  11.648  13.870  -3.800
  271    HB2  LEU  37           HB2      LEU  37  11.921  16.809  -4.487
  272    HB3  LEU  37           HB1      LEU  37  12.407  16.193  -2.921
  273    HG   LEU  37           HG       LEU  37  14.368  16.410  -4.283
  274   HD11  LEU  37          HD11      LEU  37  14.347  14.495  -2.781
  275   HD12  LEU  37          HD12      LEU  37  15.302  14.163  -4.221
  276   HD13  LEU  37          HD13      LEU  37  13.689  13.466  -4.059
  277   HD21  LEU  37          HD21      LEU  37  13.360  16.397  -6.511
  278   HD22  LEU  37          HD22      LEU  37  13.066  14.662  -6.394
  279   HD23  LEU  37          HD23      LEU  37  14.720  15.278  -6.425
  280    H    SER  38           HN       SER  38   9.117  16.183  -4.497
  281    HA   SER  38           HA       SER  38   8.072  16.587  -1.896
  282    HB2  SER  38           HB2      SER  38   6.625  16.651  -4.587
  283    HB3  SER  38           HB1      SER  38   6.062  17.400  -3.090
  284    HG   SER  38           HG       SER  38   7.164  19.070  -3.680
  285    H    HIS  39           HN       HIS  39   7.387  14.256  -4.442
  286    HA   HIS  39           HA       HIS  39   5.366  12.722  -3.251
  287    HB2  HIS  39           HB2      HIS  39   5.937  12.632  -5.670
  288    HB3  HIS  39           HB1      HIS  39   7.468  11.852  -5.290
  289    HD2  HIS  39           HD2      HIS  39   7.334   9.175  -5.495
  290    HE1  HIS  39           HE1      HIS  39   3.171   8.810  -4.991
  291    HE2  HIS  39           HE2      HIS  39   5.297   7.592  -5.552
  292    H    MET  40           HN       MET  40   8.898  12.408  -3.170
  293    HA   MET  40           HA       MET  40   9.031   9.990  -1.682
  294    HB2  MET  40           HB2      MET  40  11.076  12.214  -2.059
  295    HB3  MET  40           HB1      MET  40  11.428  10.690  -1.250
  296    HG2  MET  40           HG2      MET  40  10.645  11.065  -4.148
  297    HG3  MET  40           HG1      MET  40  12.222  10.582  -3.520
  298    HE1  MET  40           HE1      MET  40  11.424   6.943  -2.145
  299    HE2  MET  40           HE2      MET  40  11.432   8.449  -1.225
  300    HE3  MET  40           HE3      MET  40  12.698   8.131  -2.414
  301    H    ASN  41           HN       ASN  41   8.924  13.398  -0.770
  302    HA   ASN  41           HA       ASN  41   9.348  13.136   2.018
  303    HB2  ASN  41           HB2      ASN  41   7.752  15.250   0.492
  304    HB3  ASN  41           HB1      ASN  41   8.163  15.366   2.201
  305   HD21  ASN  41          HD21      ASN  41   8.865  17.120  -0.034
  306   HD22  ASN  41          HD22      ASN  41  10.590  17.202  -0.058
  307    H    LEU  42           HN       LEU  42   6.467  12.870  -0.019
  308    HA   LEU  42           HA       LEU  42   4.523  12.699   2.032
  309    HB2  LEU  42           HB2      LEU  42   4.084  13.226  -0.382
  310    HB3  LEU  42           HB1      LEU  42   4.431  11.563  -0.797
  311    HG   LEU  42           HG       LEU  42   1.963  12.269  -0.709
  312   HD11  LEU  42          HD11      LEU  42   1.142  10.161   0.185
  313   HD12  LEU  42          HD12      LEU  42   2.696   9.860   0.963
  314   HD13  LEU  42          HD13      LEU  42   2.584   9.906  -0.796
  315   HD21  LEU  42          HD21      LEU  42   2.054  13.598   1.347
  316   HD22  LEU  42          HD22      LEU  42   2.402  12.144   2.290
  317   HD23  LEU  42          HD23      LEU  42   0.851  12.316   1.468
  318    H    ILE  43           HN       ILE  43   6.370  10.215   0.286
  319    HA   ILE  43           HA       ILE  43   5.093   7.949   1.392
  320    HB   ILE  43           HB       ILE  43   7.570   8.449  -0.215
  321   HG12  ILE  43          HG12      ILE  43   6.634   6.639  -1.641
  322   HG13  ILE  43          HG11      ILE  43   5.374   6.340  -0.455
  323   HG21  ILE  43          HG21      ILE  43   8.431   6.133  -0.032
  324   HG22  ILE  43          HG22      ILE  43   7.305   5.829   1.295
  325   HG23  ILE  43          HG23      ILE  43   8.587   7.029   1.480
  326   HD11  ILE  43          HD11      ILE  43   4.537   7.570  -2.350
  327   HD12  ILE  43          HD12      ILE  43   5.733   8.839  -2.093
  328   HD13  ILE  43          HD13      ILE  43   4.461   8.569  -0.897
  329    H    VAL  44           HN       VAL  44   8.121   9.630   2.389
  330    HA   VAL  44           HA       VAL  44   8.616   7.885   4.590
  331    HB   VAL  44           HB       VAL  44  10.281   9.560   5.341
  332   HG11  VAL  44          HG11      VAL  44  11.804   9.349   3.400
  333   HG12  VAL  44          HG12      VAL  44  10.437   8.886   2.385
  334   HG13  VAL  44          HG13      VAL  44  10.937   7.839   3.714
  335   HG21  VAL  44          HG21      VAL  44   9.139  11.632   4.687
  336   HG22  VAL  44          HG22      VAL  44   9.332  11.219   2.982
  337   HG23  VAL  44          HG23      VAL  44  10.752  11.563   3.972
  338    H    SER  45           HN       SER  45   6.614  10.713   4.232
  339    HA   SER  45           HA       SER  45   6.106  11.266   6.963
  340    HB2  SER  45           HB2      SER  45   4.314  11.631   4.530
  341    HB3  SER  45           HB1      SER  45   3.953  12.264   6.138
  342    HG   SER  45           HG       SER  45   6.429  12.836   4.951
  343    H    LEU  46           HN       LEU  46   4.527   9.020   4.686
  344    HA   LEU  46           HA       LEU  46   2.572   8.011   6.489
  345    HB2  LEU  46           HB2      LEU  46   3.815   6.611   4.090
  346    HB3  LEU  46           HB1      LEU  46   2.301   6.166   4.871
  347    HG   LEU  46           HG       LEU  46   2.824   8.748   3.338
  348   HD11  LEU  46          HD11      LEU  46   1.125   6.357   2.562
  349   HD12  LEU  46          HD12      LEU  46   2.669   6.823   1.843
  350   HD13  LEU  46          HD13      LEU  46   1.267   7.872   1.662
  351   HD21  LEU  46          HD21      LEU  46   0.416   9.204   3.612
  352   HD22  LEU  46          HD22      LEU  46   1.258   9.160   5.157
  353   HD23  LEU  46          HD23      LEU  46   0.262   7.788   4.659
  354    H    GLU  47           HN       GLU  47   5.899   7.127   5.814
  355    HA   GLU  47           HA       GLU  47   6.144   4.739   7.289
  356    HB2  GLU  47           HB2      GLU  47   8.248   6.876   6.734
  357    HB3  GLU  47           HB1      GLU  47   8.600   5.240   7.289
  358    HG2  GLU  47           HG2      GLU  47   7.203   5.861   4.677
  359    HG3  GLU  47           HG1      GLU  47   8.942   5.700   4.817
  360    H    VAL  48           HN       VAL  48   6.866   8.142   8.270
  361    HA   VAL  48           HA       VAL  48   7.677   7.365  10.907
  362    HB   VAL  48           HB       VAL  48   7.905   9.789  11.383
  363   HG11  VAL  48          HG11      VAL  48   9.736  10.242   9.776
  364   HG12  VAL  48          HG12      VAL  48   9.157   8.923   8.755
  365   HG13  VAL  48          HG13      VAL  48   9.780   8.579  10.369
  366   HG21  VAL  48          HG21      VAL  48   6.882  10.252   8.559
  367   HG22  VAL  48          HG22      VAL  48   7.555  11.484   9.629
  368   HG23  VAL  48          HG23      VAL  48   6.036  10.691  10.045
  369    H    HIS  49           HN       HIS  49   4.755   9.012   9.649
  370    HA   HIS  49           HA       HIS  49   3.452   9.358  12.132
  371    HB2  HIS  49           HB2      HIS  49   2.377   9.264   9.282
  372    HB3  HIS  49           HB1      HIS  49   1.322   9.540  10.656
  373    HD1  HIS  49           HD1      HIS  49   1.215  11.886  11.601
  374    HD2  HIS  49           HD2      HIS  49   4.209  11.447   8.754
  375    HE1  HIS  49           HE1      HIS  49   2.007  14.218  11.089
  376    HE2  HIS  49           HE2      HIS  49   3.766  13.926   9.306
  377    H    TYR  50           HN       TYR  50   2.809   6.874   9.604
  378    HA   TYR  50           HA       TYR  50   0.894   5.549  11.410
  379    HB2  TYR  50           HB2      TYR  50   1.466   5.134   8.450
  380    HB3  TYR  50           HB1      TYR  50   0.221   4.281   9.355
  381    HD1  TYR  50           HD1      TYR  50  -1.834   5.436  10.071
  382    HD2  TYR  50           HD2      TYR  50   1.168   7.504   7.832
  383    HE1  TYR  50           HE1      TYR  50  -3.416   7.259   9.633
  384    HE2  TYR  50           HE2      TYR  50  -0.423   9.326   7.397
  385    HH   TYR  50           HH       TYR  50  -2.837   9.701   7.344
  386    H    LYS  51           HN       LYS  51   4.141   5.137  10.561
  387    HA   LYS  51           HA       LYS  51   5.702   3.551  10.824
  388    HB2  LYS  51           HB2      LYS  51   3.598   2.384  12.680
  389    HB3  LYS  51           HB1      LYS  51   5.137   1.576  12.430
  390    HG2  LYS  51           HG2      LYS  51   5.232   2.862  14.478
  391    HG3  LYS  51           HG1      LYS  51   6.327   3.573  13.289
  392    HD2  LYS  51           HD2      LYS  51   4.690   5.349  12.817
  393    HD3  LYS  51           HD1      LYS  51   3.539   4.611  13.932
  394    HE2  LYS  51           HE2      LYS  51   5.058   5.064  15.814
  395    HE3  LYS  51           HE1      LYS  51   6.246   5.751  14.702
  396    HZ1  LYS  51           HZ1      LYS  51   4.685   7.490  14.141
  397    HZ2  LYS  51           HZ2      LYS  51   4.925   7.451  15.813
  398    HZ3  LYS  51           HZ3      LYS  51   3.511   6.814  15.150
  399    H    ILE  52           HN       ILE  52   3.779   3.350   8.582
  400    HA   ILE  52           HA       ILE  52   3.517   0.440   8.137
  401    HB   ILE  52           HB       ILE  52   1.990   1.063   6.229
  402   HG12  ILE  52          HG12      ILE  52   2.300   3.901   7.316
  403   HG13  ILE  52          HG11      ILE  52   2.816   3.331   5.734
  404   HG21  ILE  52          HG21      ILE  52   1.126   2.116   8.950
  405   HG22  ILE  52          HG22      ILE  52   1.064   0.432   8.422
  406   HG23  ILE  52          HG23      ILE  52   0.046   1.640   7.637
  407   HD11  ILE  52          HD11      ILE  52  -0.029   3.563   6.704
  408   HD12  ILE  52          HD12      ILE  52   0.467   2.966   5.116
  409   HD13  ILE  52          HD13      ILE  52   0.796   4.637   5.576
  410    H    LYS  53           HN       LYS  53   4.537  -0.532   6.463
  411    HA   LYS  53           HA       LYS  53   6.918   0.847   5.456
  412    HB2  LYS  53           HB2      LYS  53   7.236  -1.116   6.947
  413    HB3  LYS  53           HB1      LYS  53   6.288  -2.125   5.865
  414    HG2  LYS  53           HG2      LYS  53   8.847  -0.803   4.918
  415    HG3  LYS  53           HG1      LYS  53   8.904  -2.297   5.849
  416    HD2  LYS  53           HD2      LYS  53   7.534  -3.432   4.103
  417    HD3  LYS  53           HD1      LYS  53   7.472  -1.934   3.175
  418    HE2  LYS  53           HE2      LYS  53   9.156  -3.430   2.234
  419    HE3  LYS  53           HE1      LYS  53   9.942  -2.006   2.924
  420    HZ1  LYS  53           HZ1      LYS  53   9.725  -4.675   4.202
  421    HZ2  LYS  53           HZ2      LYS  53  10.439  -3.312   4.902
  422    HZ3  LYS  53           HZ3      LYS  53  11.117  -4.005   3.516
  423    H    PHE  54           HN       PHE  54   6.502   1.646   3.443
  424    HA   PHE  54           HA       PHE  54   5.305  -0.046   1.357
  425    HB2  PHE  54           HB2      PHE  54   6.386   2.823   1.199
  426    HB3  PHE  54           HB1      PHE  54   5.610   1.949  -0.119
  427    HD1  PHE  54           HD1      PHE  54   5.045   3.619   3.129
  428    HD2  PHE  54           HD2      PHE  54   3.188   1.596  -0.165
  429    HE1  PHE  54           HE1      PHE  54   2.832   4.356   3.897
  430    HE2  PHE  54           HE2      PHE  54   0.988   2.359   0.622
  431    HZ   PHE  54           HZ       PHE  54   0.813   3.735   2.651
  432    H    ALA  55           HN       ALA  55   6.516  -1.174   0.002
  433    HA   ALA  55           HA       ALA  55   9.439  -1.076   0.085
  434    HB1  ALA  55           HB1      ALA  55   7.527  -2.986  -1.322
  435    HB2  ALA  55           HB2      ALA  55   8.333  -3.280   0.221
  436    HB3  ALA  55           HB3      ALA  55   9.283  -3.152  -1.259
  437    H    LEU  56           HN       LEU  56  10.661  -0.581  -1.812
  438    HA   LEU  56           HA       LEU  56   9.708   1.342  -3.603
  439    HB2  LEU  56           HB2      LEU  56  12.145   0.684  -2.908
  440    HB3  LEU  56           HB1      LEU  56  12.073  -0.485  -4.204
  441    HG   LEU  56           HG       LEU  56  13.293   1.677  -4.733
  442   HD11  LEU  56          HD11      LEU  56  12.438   1.959  -6.998
  443   HD12  LEU  56          HD12      LEU  56  10.971   1.073  -6.574
  444   HD13  LEU  56          HD13      LEU  56  12.535   0.257  -6.552
  445   HD21  LEU  56          HD21      LEU  56  11.808   3.217  -3.534
  446   HD22  LEU  56          HD22      LEU  56  10.530   2.929  -4.719
  447   HD23  LEU  56          HD23      LEU  56  12.038   3.705  -5.210
  448    H    GLY  57           HN       GLY  57   9.762  -2.199  -3.879
  449    HA2  GLY  57           HA2      GLY  57   8.928  -2.532  -6.544
  450    HA3  GLY  57           HA1      GLY  57   8.554  -3.617  -5.209
  451    H    GLU  58           HN       GLU  58   7.016  -2.042  -3.568
  452    HA   GLU  58           HA       GLU  58   4.441  -2.048  -4.797
  453    HB2  GLU  58           HB2      GLU  58   5.265  -0.831  -2.120
  454    HB3  GLU  58           HB1      GLU  58   3.610  -1.154  -2.634
  455    HG2  GLU  58           HG2      GLU  58   4.122  -3.576  -2.703
  456    HG3  GLU  58           HG1      GLU  58   5.758  -3.243  -2.130
  457    H    LEU  59           HN       LEU  59   6.858   0.441  -4.222
  458    HA   LEU  59           HA       LEU  59   5.355   2.789  -4.613
  459    HB2  LEU  59           HB2      LEU  59   8.240   2.043  -4.609
  460    HB3  LEU  59           HB1      LEU  59   7.896   3.431  -5.606
  461    HG   LEU  59           HG       LEU  59   8.652   4.006  -3.290
  462   HD11  LEU  59          HD11      LEU  59   5.857   4.926  -3.994
  463   HD12  LEU  59          HD12      LEU  59   7.371   5.587  -4.621
  464   HD13  LEU  59          HD13      LEU  59   6.987   5.738  -2.911
  465   HD21  LEU  59          HD21      LEU  59   5.991   2.834  -2.418
  466   HD22  LEU  59          HD22      LEU  59   7.107   3.750  -1.399
  467   HD23  LEU  59          HD23      LEU  59   7.591   2.184  -2.049
  468    H    GLN  60           HN       GLN  60   7.159   0.774  -6.933
  469    HA   GLN  60           HA       GLN  60   6.430   2.255  -9.258
  470    HB2  GLN  60           HB2      GLN  60   7.323  -0.644  -9.072
  471    HB3  GLN  60           HB1      GLN  60   7.369   0.365 -10.512
  472    HG2  GLN  60           HG2      GLN  60   9.027   0.770  -7.999
  473    HG3  GLN  60           HG1      GLN  60   9.597   0.059  -9.505
  474   HE21  GLN  60          HE21      GLN  60  11.226   1.608  -9.746
  475   HE22  GLN  60          HE22      GLN  60  10.906   3.251 -10.159
  476    H    LYS  61           HN       LYS  61   4.662   0.062  -7.331
  477    HA   LYS  61           HA       LYS  61   2.629  -0.463  -9.393
  478    HB2  LYS  61           HB2      LYS  61   2.986  -1.561  -6.571
  479    HB3  LYS  61           HB1      LYS  61   1.646  -1.983  -7.632
  480    HG2  LYS  61           HG2      LYS  61   4.574  -2.520  -8.237
  481    HG3  LYS  61           HG1      LYS  61   3.427  -3.707  -7.600
  482    HD2  LYS  61           HD2      LYS  61   2.056  -3.484  -9.657
  483    HD3  LYS  61           HD1      LYS  61   3.191  -2.288 -10.291
  484    HE2  LYS  61           HE2      LYS  61   3.921  -5.171  -9.647
  485    HE3  LYS  61           HE1      LYS  61   3.503  -4.574 -11.253
  486    HZ1  LYS  61           HZ1      LYS  61   5.893  -4.697 -10.910
  487    HZ2  LYS  61           HZ2      LYS  61   5.789  -3.617  -9.620
  488    HZ3  LYS  61           HZ3      LYS  61   5.404  -3.103 -11.179
  489    H    LEU  62           HN       LEU  62   3.283   1.867  -7.013
  490    HA   LEU  62           HA       LEU  62   0.511   2.580  -6.419
  491    HB2  LEU  62           HB2      LEU  62   3.116   4.087  -5.881
  492    HB3  LEU  62           HB1      LEU  62   1.533   4.611  -5.335
  493    HG   LEU  62           HG       LEU  62   2.967   2.099  -4.381
  494   HD11  LEU  62          HD11      LEU  62   4.102   4.125  -3.608
  495   HD12  LEU  62          HD12      LEU  62   3.310   3.307  -2.265
  496   HD13  LEU  62          HD13      LEU  62   2.585   4.760  -2.964
  497   HD21  LEU  62          HD21      LEU  62   1.197   1.979  -2.658
  498   HD22  LEU  62          HD22      LEU  62   0.542   1.808  -4.282
  499   HD23  LEU  62          HD23      LEU  62   0.360   3.337  -3.418
  500    H    LYS  63           HN       LYS  63  -0.529   3.241  -8.323
  501    HA   LYS  63           HA       LYS  63   0.764   5.119 -10.170
  502    HB2  LYS  63           HB2      LYS  63  -0.497   3.263 -11.133
  503    HB3  LYS  63           HB1      LYS  63  -1.935   3.683 -10.220
  504    HG2  LYS  63           HG2      LYS  63  -0.817   5.672 -12.199
  505    HG3  LYS  63           HG1      LYS  63  -1.713   4.275 -12.802
  506    HD2  LYS  63           HD2      LYS  63  -3.676   4.931 -11.468
  507    HD3  LYS  63           HD1      LYS  63  -2.787   6.287 -10.779
  508    HE2  LYS  63           HE2      LYS  63  -2.631   7.312 -13.019
  509    HE3  LYS  63           HE1      LYS  63  -3.544   5.963 -13.701
  510    HZ1  LYS  63           HZ1      LYS  63  -4.997   7.816 -13.279
  511    HZ2  LYS  63           HZ2      LYS  63  -4.515   7.896 -11.661
  512    HZ3  LYS  63           HZ3      LYS  63  -5.389   6.557 -12.218
  513    H    ASN  64           HN       ASN  64  -1.775   5.048  -7.727
  514    HA   ASN  64           HA       ASN  64  -1.845   7.951  -7.547
  515    HB2  ASN  64           HB2      ASN  64  -4.407   7.962  -7.677
  516    HB3  ASN  64           HB1      ASN  64  -3.549   7.755  -9.187
  517   HD21  ASN  64          HD21      ASN  64  -4.107   5.088  -6.908
  518   HD22  ASN  64          HD22      ASN  64  -5.203   4.243  -7.924
  519    H    VAL  65           HN       VAL  65  -3.698   8.535  -5.828
  520    HA   VAL  65           HA       VAL  65  -2.922   7.397  -3.326
  521    HB   VAL  65           HB       VAL  65  -5.202   9.347  -3.926
  522   HG11  VAL  65          HG11      VAL  65  -5.489   8.299  -1.706
  523   HG12  VAL  65          HG12      VAL  65  -5.063  10.000  -1.539
  524   HG13  VAL  65          HG13      VAL  65  -3.842   8.757  -1.263
  525   HG21  VAL  65          HG21      VAL  65  -3.010  10.218  -4.658
  526   HG22  VAL  65          HG22      VAL  65  -2.347   9.932  -3.050
  527   HG23  VAL  65          HG23      VAL  65  -3.622  11.132  -3.277
  528    H    GLY  66           HN       GLY  66  -5.377   6.582  -5.622
  529    HA2  GLY  66           HA2      GLY  66  -7.107   5.043  -4.000
  530    HA3  GLY  66           HA1      GLY  66  -6.777   4.764  -5.708
  531    H    ASP  67           HN       ASP  67  -4.010   4.299  -5.576
  532    HA   ASP  67           HA       ASP  67  -3.825   1.592  -4.707
  533    HB2  ASP  67           HB2      ASP  67  -1.633   3.536  -5.568
  534    HB3  ASP  67           HB1      ASP  67  -1.369   1.818  -5.261
  535    H    LEU  68           HN       LEU  68  -2.575   4.715  -3.374
  536    HA   LEU  68           HA       LEU  68  -1.350   3.625  -1.086
  537    HB2  LEU  68           HB2      LEU  68  -2.566   6.349  -1.609
  538    HB3  LEU  68           HB1      LEU  68  -2.017   5.939   0.000
  539    HG   LEU  68           HG       LEU  68  -0.279   7.190  -0.975
  540   HD11  LEU  68          HD11      LEU  68   1.633   5.697  -1.012
  541   HD12  LEU  68          HD12      LEU  68   0.564   4.302  -1.179
  542   HD13  LEU  68          HD13      LEU  68   0.515   5.286   0.288
  543   HD21  LEU  68          HD21      LEU  68   0.773   6.738  -3.147
  544   HD22  LEU  68          HD22      LEU  68  -0.950   7.065  -3.327
  545   HD23  LEU  68          HD23      LEU  68  -0.357   5.406  -3.426
  546    H    ALA  69           HN       ALA  69  -4.730   4.410  -1.752
  547    HA   ALA  69           HA       ALA  69  -5.735   4.128   0.869
  548    HB1  ALA  69           HB1      ALA  69  -7.942   3.941  -0.185
  549    HB2  ALA  69           HB2      ALA  69  -7.183   3.687  -1.762
  550    HB3  ALA  69           HB3      ALA  69  -6.996   5.233  -0.931
  551    H    ASP  70           HN       ASP  70  -5.366   1.844  -1.795
  552    HA   ASP  70           HA       ASP  70  -6.388  -0.496  -0.560
  553    HB2  ASP  70           HB2      ASP  70  -4.223  -0.320  -2.692
  554    HB3  ASP  70           HB1      ASP  70  -5.155  -1.762  -2.296
  555    H    LEU  71           HN       LEU  71  -3.063   0.790  -0.801
  556    HA   LEU  71           HA       LEU  71  -1.817  -1.483   0.375
  557    HB2  LEU  71           HB2      LEU  71  -0.855   1.207  -0.570
  558    HB3  LEU  71           HB1      LEU  71   0.162   0.382   0.588
  559    HG   LEU  71           HG       LEU  71   1.027  -0.093  -1.593
  560   HD11  LEU  71          HD11      LEU  71   1.089  -1.957  -0.029
  561   HD12  LEU  71          HD12      LEU  71   0.951  -2.516  -1.693
  562   HD13  LEU  71          HD13      LEU  71  -0.464  -2.542  -0.638
  563   HD21  LEU  71          HD21      LEU  71  -0.254  -1.152  -3.396
  564   HD22  LEU  71          HD22      LEU  71  -0.903   0.428  -2.962
  565   HD23  LEU  71          HD23      LEU  71  -1.726  -1.037  -2.421
  566    H    VAL  72           HN       VAL  72  -2.296   1.866   1.651
  567    HA   VAL  72           HA       VAL  72  -1.421   1.522   4.244
  568    HB   VAL  72           HB       VAL  72  -3.700   3.308   3.259
  569   HG11  VAL  72          HG11      VAL  72  -2.177   3.487   5.880
  570   HG12  VAL  72          HG12      VAL  72  -3.872   3.040   5.694
  571   HG13  VAL  72          HG13      VAL  72  -3.344   4.676   5.293
  572   HG21  VAL  72          HG21      VAL  72  -1.977   5.119   3.240
  573   HG22  VAL  72          HG22      VAL  72  -1.575   3.817   2.120
  574   HG23  VAL  72          HG23      VAL  72  -0.746   3.933   3.674
  575    H    ASP  73           HN       ASP  73  -4.662   0.816   2.882
  576    HA   ASP  73           HA       ASP  73  -5.963   0.046   5.286
  577    HB2  ASP  73           HB2      ASP  73  -7.100   0.594   3.111
  578    HB3  ASP  73           HB1      ASP  73  -6.528  -0.933   2.457
  579    H    LYS  74           HN       LYS  74  -4.169  -1.754   2.889
  580    HA   LYS  74           HA       LYS  74  -4.580  -4.400   3.882
  581    HB2  LYS  74           HB2      LYS  74  -2.444  -3.256   2.052
  582    HB3  LYS  74           HB1      LYS  74  -2.391  -4.940   2.559
  583    HG2  LYS  74           HG2      LYS  74  -4.688  -3.650   1.053
  584    HG3  LYS  74           HG1      LYS  74  -3.420  -4.640   0.324
  585    HD2  LYS  74           HD2      LYS  74  -4.157  -6.584   1.689
  586    HD3  LYS  74           HD1      LYS  74  -5.419  -5.593   2.426
  587    HE2  LYS  74           HE2      LYS  74  -6.373  -6.988   0.661
  588    HE3  LYS  74           HE1      LYS  74  -6.457  -5.290   0.189
  589    HZ1  LYS  74           HZ1      LYS  74  -5.733  -6.633  -1.643
  590    HZ2  LYS  74           HZ2      LYS  74  -4.456  -7.276  -0.741
  591    HZ3  LYS  74           HZ3      LYS  74  -4.463  -5.636  -1.150
  592    H    LYS  75           HN       LYS  75  -2.129  -1.946   4.538
  593    HA   LYS  75           HA       LYS  75  -0.410  -3.660   6.070
  594    HB2  LYS  75           HB2      LYS  75  -0.428  -0.628   5.733
  595    HB3  LYS  75           HB1      LYS  75   0.857  -1.550   6.519
  596    HG2  LYS  75           HG2      LYS  75   1.384  -2.699   4.452
  597    HG3  LYS  75           HG1      LYS  75   0.003  -1.964   3.638
  598    HD2  LYS  75           HD2      LYS  75   1.102   0.290   3.982
  599    HD3  LYS  75           HD1      LYS  75   2.527  -0.564   4.599
  600    HE2  LYS  75           HE2      LYS  75   1.333  -0.786   1.806
  601    HE3  LYS  75           HE1      LYS  75   2.873  -0.046   2.250
  602    HZ1  LYS  75           HZ1      LYS  75   2.194  -2.923   2.513
  603    HZ2  LYS  75           HZ2      LYS  75   3.661  -2.217   2.969
  604    HZ3  LYS  75           HZ3      LYS  75   3.203  -2.237   1.344
  605    H    LEU  76           HN       LEU  76  -2.913  -1.239   6.780
  606    HA   LEU  76           HA       LEU  76  -2.598  -1.235   9.609
  607    HB2  LEU  76           HB2      LEU  76  -4.977  -0.482   7.880
  608    HB3  LEU  76           HB1      LEU  76  -4.976  -0.310   9.629
  609    HG   LEU  76           HG       LEU  76  -3.150   1.167   7.686
  610   HD11  LEU  76          HD11      LEU  76  -5.439   2.013   7.637
  611   HD12  LEU  76          HD12      LEU  76  -4.363   3.186   8.392
  612   HD13  LEU  76          HD13      LEU  76  -5.437   2.206   9.392
  613   HD21  LEU  76          HD21      LEU  76  -3.250   1.377  10.721
  614   HD22  LEU  76          HD22      LEU  76  -2.305   2.409   9.643
  615   HD23  LEU  76          HD23      LEU  76  -1.933   0.693   9.761
  616    H    ALA  77           HN       ALA  77  -4.514  -3.192   7.379
  617    HA   ALA  77           HA       ALA  77  -5.901  -4.822   9.200
  618    HB1  ALA  77           HB1      ALA  77  -6.055  -6.465   7.358
  619    HB2  ALA  77           HB2      ALA  77  -4.805  -5.585   6.474
  620    HB3  ALA  77           HB3      ALA  77  -6.363  -4.823   6.783
  621    H    ARG  78           HN       ARG  78  -2.574  -5.037   7.985
  622    HA   ARG  78           HA       ARG  78  -1.866  -7.454   9.386
  623    HB2  ARG  78           HB2      ARG  78   0.037  -5.297   8.375
  624    HB3  ARG  78           HB1      ARG  78   0.433  -6.974   8.719
  625    HG2  ARG  78           HG2      ARG  78  -1.362  -6.005   6.480
  626    HG3  ARG  78           HG1      ARG  78   0.321  -6.488   6.301
  627    HD2  ARG  78           HD2      ARG  78  -1.800  -8.387   7.359
  628    HD3  ARG  78           HD1      ARG  78  -1.466  -8.198   5.636
  629    HE   ARG  78           HE       ARG  78   0.935  -8.720   7.064
  630   HH11  ARG  78          HH11      ARG  78  -1.962 -10.372   5.991
  631   HH12  ARG  78          HH12      ARG  78  -1.155 -11.883   5.727
  632   HH21  ARG  78          HH21      ARG  78   1.996 -10.718   6.692
  633   HH22  ARG  78          HH22      ARG  78   1.079 -12.077   6.130
  634    H    LYS  79           HN       LYS  79  -1.820  -3.987  10.151
  635    HA   LYS  79           HA       LYS  79  -0.017  -4.012  12.323
  636    HB2  LYS  79           HB2      LYS  79  -2.152  -2.026  11.478
  637    HB3  LYS  79           HB1      LYS  79  -1.145  -1.749  12.893
  638    HG2  LYS  79           HG2      LYS  79  -0.144  -2.059  10.046
  639    HG3  LYS  79           HG1      LYS  79  -0.310  -0.538  10.927
  640    HD2  LYS  79           HD2      LYS  79   1.366  -1.370  12.591
  641    HD3  LYS  79           HD1      LYS  79   1.559  -2.840  11.630
  642    HE2  LYS  79           HE2      LYS  79   2.410  -1.507   9.747
  643    HE3  LYS  79           HE1      LYS  79   2.161  -0.020  10.672
  644    HZ1  LYS  79           HZ1      LYS  79   3.943  -2.227  11.519
  645    HZ2  LYS  79           HZ2      LYS  79   3.788  -0.709  12.246
  646    HZ3  LYS  79           HZ3      LYS  79   4.462  -0.845  10.700
  647    H    LEU  80           HN       LEU  80  -3.203  -5.268  12.283
  648    HA   LEU  80           HA       LEU  80  -3.892  -4.856  15.014
  649    HB2  LEU  80           HB2      LEU  80  -4.751  -6.941  12.989
  650    HB3  LEU  80           HB1      LEU  80  -5.239  -7.073  14.666
  651    HG   LEU  80           HG       LEU  80  -7.068  -6.106  13.506
  652   HD11  LEU  80          HD11      LEU  80  -6.632  -5.096  15.688
  653   HD12  LEU  80          HD12      LEU  80  -7.412  -3.965  14.590
  654   HD13  LEU  80          HD13      LEU  80  -5.684  -3.813  14.927
  655   HD21  LEU  80          HD21      LEU  80  -6.972  -4.116  12.101
  656   HD22  LEU  80          HD22      LEU  80  -5.938  -5.392  11.466
  657   HD23  LEU  80          HD23      LEU  80  -5.221  -4.020  12.314
  658    H    GLU  81           HN       GLU  81  -1.971  -5.093  16.114
  659    HA   GLU  81           HA       GLU  81  -0.625  -7.693  16.307
  660    HB2  GLU  81           HB2      GLU  81   0.247  -4.964  16.458
  661    HB3  GLU  81           HB1      GLU  81   0.387  -5.560  18.102
  662    HG2  GLU  81           HG2      GLU  81   1.705  -6.714  15.629
  663    HG3  GLU  81           HG1      GLU  81   2.496  -5.805  16.912
  664    H    HIS  82           HN       HIS  82   0.097  -7.166  19.180
  665    HA   HIS  82           HA       HIS  82  -2.375  -7.956  20.524
  666    HB2  HIS  82           HB2      HIS  82   0.449  -7.537  21.615
  667    HB3  HIS  82           HB1      HIS  82  -0.900  -8.225  22.519
  668    HD1  HIS  82           HD1      HIS  82   1.764  -9.121  20.130
  669    HD2  HIS  82           HD2      HIS  82  -1.774 -10.811  21.506
  670    HE1  HIS  82           HE1      HIS  82   1.858 -11.529  19.446
  671    HE2  HIS  82           HE2      HIS  82  -0.304 -12.532  20.254
  672    H    HIS  83           HN       HIS  83  -2.122  -6.715  23.013
  673    HA   HIS  83           HA       HIS  83  -2.803  -4.933  24.219
  674    HB2  HIS  83           HB2      HIS  83  -1.725  -3.186  21.959
  675    HB3  HIS  83           HB1      HIS  83  -2.281  -2.579  23.515
  676    HD1  HIS  83           HD1      HIS  83   0.635  -4.166  21.841
  677    HD2  HIS  83           HD2      HIS  83  -0.528  -3.095  25.686
  678    HE1  HIS  83           HE1      HIS  83   2.721  -4.255  23.227
  679    HE2  HIS  83           HE2      HIS  83   1.967  -3.770  25.579
  680    H    HIS  84           HN       HIS  84  -3.410  -3.640  20.943
  681    HA   HIS  84           HA       HIS  84  -5.205  -2.992  19.785
  682    HB2  HIS  84           HB2      HIS  84  -6.760  -4.847  21.631
  683    HB3  HIS  84           HB1      HIS  84  -7.460  -4.042  20.234
  684    HD1  HIS  84           HD1      HIS  84  -6.194  -7.195  21.151
  685    HD2  HIS  84           HD2      HIS  84  -5.826  -4.809  17.767
  686    HE1  HIS  84           HE1      HIS  84  -5.544  -8.753  19.297
  687    HE2  HIS  84           HE2      HIS  84  -5.147  -7.259  17.313
  688    H    HIS  85           HN       HIS  85  -7.029  -1.580  19.777
  689    HA   HIS  85           HA       HIS  85  -8.108  -0.502  22.235
  690    HB2  HIS  85           HB2      HIS  85  -7.549   1.859  21.753
  691    HB3  HIS  85           HB1      HIS  85  -6.096   0.912  22.020
  692    HD1  HIS  85           HD1      HIS  85  -5.081   0.001  19.487
  693    HD2  HIS  85           HD2      HIS  85  -7.213   3.562  19.670
  694    HE1  HIS  85           HE1      HIS  85  -4.493   1.250  17.391
  695    HE2  HIS  85           HE2      HIS  85  -5.974   3.284  17.427
  696    H    HIS  86           HN       HIS  86 -10.165  -0.772  21.806
  697    HA   HIS  86           HA       HIS  86 -12.199  -0.957  20.844
  698    HB2  HIS  86           HB2      HIS  86 -11.877   1.496  20.480
  699    HB3  HIS  86           HB1      HIS  86 -11.182   1.171  18.901
  700    HD1  HIS  86           HD1      HIS  86 -12.855   0.376  17.017
  701    HD2  HIS  86           HD2      HIS  86 -14.665   1.491  20.583
  702    HE1  HIS  86           HE1      HIS  86 -15.282   0.634  16.470
  703    HE2  HIS  86           HE2      HIS  86 -16.374   1.220  18.663
  704    H    HIS  87           HN       HIS  87 -13.359  -1.646  18.732
  705    HA   HIS  87           HA       HIS  87 -11.820  -3.649  17.341
  706    HB2  HIS  87           HB2      HIS  87 -14.211  -4.021  17.956
  707    HB3  HIS  87           HB1      HIS  87 -14.691  -2.726  16.862
  708    HD1  HIS  87           HD1      HIS  87 -14.963  -3.321  14.424
  709    HD2  HIS  87           HD2      HIS  87 -13.195  -6.367  16.626
  710    HE1  HIS  87           HE1      HIS  87 -14.819  -5.282  12.864
  711    HE2  HIS  87           HE2      HIS  87 -13.582  -7.047  14.160
  712   H282  PNS  88          H282      PNS  88   6.845  13.171  -9.774
  713   H281  PNS  88          H281      PNS  88   7.174  12.755 -11.461
  714   H303  PNS  88          H303      PNS  88   4.468  10.397 -10.381
  715   H302  PNS  88          H302      PNS  88   4.659  12.146 -10.279
  716   H301  PNS  88          H301      PNS  88   5.022  11.321 -11.793
  717   H313  PNS  88          H313      PNS  88   6.020   9.729  -8.603
  718   H312  PNS  88          H312      PNS  88   7.540  10.590  -8.379
  719   H311  PNS  88          H311      PNS  88   6.014  11.444  -8.167
  720    H32  PNS  88           H32      PNS  88   7.697  10.412 -12.023
  721    H33  PNS  88           H33      PNS  88   8.337   8.383 -10.605
  722    H36  PNS  88           H36      PNS  88   5.989   8.230  -9.752
  723   H372  PNS  88          H372      PNS  88   3.922   7.412 -11.494
  724   H371  PNS  88          H371      PNS  88   5.260   6.262 -11.612
  725   H382  PNS  88          H382      PNS  88   3.493   5.622  -9.958
  726   H381  PNS  88          H381      PNS  88   5.119   5.728  -9.286
  727    H41  PNS  88           H41      PNS  88   2.208   7.837  -9.768
  728   H422  PNS  88          H422      PNS  88   2.816   9.478  -7.419
  729   H421  PNS  88          H421      PNS  88   1.472   9.672  -8.542
  730   H431  PNS  88          H431      PNS  88   0.270   7.827  -7.463
  731   H432  PNS  88          H432      PNS  88   0.676   9.074  -6.289
  732    H44  PNS  88           H44      PNS  88   2.539   6.242  -6.669
  Start of MODEL    8
    1    H1   MET   1           HT1      MET   1 -11.523   2.601   9.462
    2    H2   MET   1           HT2      MET   1 -11.773   1.092   8.748
    3    H3   MET   1           HT3      MET   1 -12.609   2.446   8.180
    4    HA   MET   1           HA       MET   1  -9.689   2.053   8.062
    5    HB2  MET   1           HB2      MET   1 -11.794   1.867   5.871
    6    HB3  MET   1           HB1      MET   1 -10.059   1.903   5.570
    7    HG2  MET   1           HG2      MET   1 -10.878  -0.370   5.445
    8    HG3  MET   1           HG1      MET   1  -9.801  -0.199   6.834
    9    HE1  MET   1           HE1      MET   1 -12.405  -2.862   8.082
   10    HE2  MET   1           HE2      MET   1 -10.693  -2.499   7.872
   11    HE3  MET   1           HE3      MET   1 -11.734  -2.700   6.460
   12    HA   PRO   2           HA       PRO   2 -10.385   6.578   7.688
   13    HB2  PRO   2           HB2      PRO   2  -8.693   7.378   9.579
   14    HB3  PRO   2           HB1      PRO   2 -10.113   6.428  10.045
   15    HG2  PRO   2           HG2      PRO   2  -7.242   5.578   9.842
   16    HG3  PRO   2           HG1      PRO   2  -8.496   5.043  10.981
   17    HD2  PRO   2           HD2      PRO   2  -7.706   3.762   8.505
   18    HD3  PRO   2           HD1      PRO   2  -9.009   3.266   9.610
   19    H    THR   3           HN       THR   3  -8.825   5.185   5.691
   20    HA   THR   3           HA       THR   3  -6.103   5.957   5.636
   21    HB   THR   3           HB       THR   3  -6.152   5.253   3.212
   22    HG1  THR   3           HG1      THR   3  -8.900   4.702   3.775
   23   HG21  THR   3          HG21      THR   3  -7.427   3.298   5.166
   24   HG22  THR   3          HG22      THR   3  -5.696   3.620   5.017
   25   HG23  THR   3          HG23      THR   3  -6.574   2.880   3.678
   26    H    LEU   4           HN       LEU   4  -8.528   7.111   3.165
   27    HA   LEU   4           HA       LEU   4  -7.028   9.356   2.404
   28    HB2  LEU   4           HB2      LEU   4 -10.020   8.870   2.159
   29    HB3  LEU   4           HB1      LEU   4  -9.190  10.225   1.407
   30    HG   LEU   4           HG       LEU   4  -8.811   7.273   0.750
   31   HD11  LEU   4          HD11      LEU   4 -10.870   8.220  -0.179
   32   HD12  LEU   4          HD12      LEU   4  -9.708   7.865  -1.456
   33   HD13  LEU   4          HD13      LEU   4  -9.953   9.534  -0.926
   34   HD21  LEU   4          HD21      LEU   4  -6.645   8.385   0.577
   35   HD22  LEU   4          HD22      LEU   4  -7.343   9.665  -0.419
   36   HD23  LEU   4          HD23      LEU   4  -7.265   8.009  -1.029
   37    H    ASP   5           HN       ASP   5  -9.487   8.971   4.900
   38    HA   ASP   5           HA       ASP   5  -9.928  11.549   5.777
   39    HB2  ASP   5           HB2      ASP   5  -9.565   9.094   7.545
   40    HB3  ASP   5           HB1      ASP   5 -10.361  10.584   8.033
   41    H    ALA   6           HN       ALA   6  -7.229   9.423   6.629
   42    HA   ALA   6           HA       ALA   6  -5.905  11.500   8.236
   43    HB1  ALA   6           HB1      ALA   6  -6.092   9.227   9.179
   44    HB2  ALA   6           HB2      ALA   6  -4.405   9.701   8.968
   45    HB3  ALA   6           HB3      ALA   6  -5.160   8.585   7.825
   46    H    LEU   7           HN       LEU   7  -5.801  10.295   5.026
   47    HA   LEU   7           HA       LEU   7  -3.002  10.868   4.520
   48    HB2  LEU   7           HB2      LEU   7  -5.317  10.168   2.668
   49    HB3  LEU   7           HB1      LEU   7  -3.740  10.613   2.044
   50    HG   LEU   7           HG       LEU   7  -4.340   8.166   3.763
   51   HD11  LEU   7          HD11      LEU   7  -5.185   7.922   1.485
   52   HD12  LEU   7          HD12      LEU   7  -3.803   6.861   1.746
   53   HD13  LEU   7          HD13      LEU   7  -3.606   8.355   0.823
   54   HD21  LEU   7          HD21      LEU   7  -1.696   9.029   2.542
   55   HD22  LEU   7          HD22      LEU   7  -2.010   7.507   3.382
   56   HD23  LEU   7          HD23      LEU   7  -2.100   9.029   4.261
   57    H    THR   8           HN       THR   8  -6.138  12.474   3.976
   58    HA   THR   8           HA       THR   8  -5.380  14.512   2.281
   59    HB   THR   8           HB       THR   8  -7.537  14.605   4.421
   60    HG1  THR   8           HG1      THR   8  -8.393  13.225   3.064
   61   HG21  THR   8          HG21      THR   8  -7.190  16.412   2.003
   62   HG22  THR   8          HG22      THR   8  -7.017  16.907   3.689
   63   HG23  THR   8          HG23      THR   8  -8.590  16.389   3.073
   64    HA   PRO   9           HA       PRO   9  -4.077  17.395   6.103
   65    HB2  PRO   9           HB2      PRO   9  -3.146  15.960   8.322
   66    HB3  PRO   9           HB1      PRO   9  -4.742  16.714   8.204
   67    HG2  PRO   9           HG2      PRO   9  -3.950  13.854   7.669
   68    HG3  PRO   9           HG1      PRO   9  -5.350  14.478   8.568
   69    HD2  PRO   9           HD2      PRO   9  -5.645  13.612   6.058
   70    HD3  PRO   9           HD1      PRO   9  -6.513  15.071   6.601
   71    H    ILE  10           HN       ILE  10  -2.592  14.206   5.464
   72    HA   ILE  10           HA       ILE  10   0.138  14.988   5.915
   73    HB   ILE  10           HB       ILE  10  -0.912  12.649   4.253
   74   HG12  ILE  10          HG12      ILE  10  -1.715  12.494   6.565
   75   HG13  ILE  10          HG11      ILE  10  -0.518  11.243   6.258
   76   HG21  ILE  10          HG21      ILE  10   1.881  13.111   5.373
   77   HG22  ILE  10          HG22      ILE  10   1.417  13.119   3.670
   78   HG23  ILE  10          HG23      ILE  10   1.333  11.625   4.601
   79   HD11  ILE  10          HD11      ILE  10  -0.079  13.807   7.784
   80   HD12  ILE  10          HD12      ILE  10   1.148  12.581   7.459
   81   HD13  ILE  10          HD13      ILE  10  -0.245  12.183   8.460
   82    H    PHE  11           HN       PHE  11  -1.865  14.617   2.981
   83    HA   PHE  11           HA       PHE  11   0.156  15.292   1.089
   84    HB2  PHE  11           HB2      PHE  11  -2.880  15.170   0.894
   85    HB3  PHE  11           HB1      PHE  11  -1.878  15.629  -0.478
   86    HD1  PHE  11           HD2      PHE  11  -1.707  12.874   2.096
   87    HD2  PHE  11           HD1      PHE  11  -1.725  13.920  -2.036
   88    HE1  PHE  11           HE2      PHE  11  -1.494  10.507   1.503
   89    HE2  PHE  11           HE1      PHE  11  -1.507  11.551  -2.617
   90    HZ   PHE  11           HZ       PHE  11  -1.396   9.844  -0.863
   91    H    ARG  12           HN       ARG  12  -2.496  17.107   2.600
   92    HA   ARG  12           HA       ARG  12  -1.924  19.594   1.323
   93    HB2  ARG  12           HB2      ARG  12  -3.557  18.936   3.796
   94    HB3  ARG  12           HB1      ARG  12  -3.444  20.556   3.103
   95    HG2  ARG  12           HG2      ARG  12  -4.358  19.655   0.956
   96    HG3  ARG  12           HG1      ARG  12  -4.571  18.085   1.734
   97    HD2  ARG  12           HD2      ARG  12  -6.197  19.010   3.276
   98    HD3  ARG  12           HD1      ARG  12  -5.888  20.653   2.693
   99    HE   ARG  12           HE       ARG  12  -6.626  19.296   0.456
  100   HH11  ARG  12          HH11      ARG  12  -8.178  19.733   3.571
  101   HH12  ARG  12          HH12      ARG  12  -9.776  19.690   2.904
  102   HH21  ARG  12          HH21      ARG  12  -8.707  19.233  -0.403
  103   HH22  ARG  12          HH22      ARG  12 -10.080  19.407   0.648
  104    H    GLN  13           HN       GLN  13  -0.478  17.989   4.078
  105    HA   GLN  13           HA       GLN  13   0.900  20.295   5.084
  106    HB2  GLN  13           HB2      GLN  13   0.486  18.245   6.441
  107    HB3  GLN  13           HB1      GLN  13   1.532  17.322   5.372
  108    HG2  GLN  13           HG2      GLN  13   3.473  18.624   6.103
  109    HG3  GLN  13           HG1      GLN  13   2.441  19.635   7.117
  110   HE21  GLN  13          HE21      GLN  13   1.482  18.714   8.990
  111   HE22  GLN  13          HE22      GLN  13   2.112  17.281   9.712
  112    H    VAL  14           HN       VAL  14   1.904  17.508   3.122
  113    HA   VAL  14           HA       VAL  14   4.534  18.220   2.562
  114    HB   VAL  14           HB       VAL  14   2.575  16.425   1.061
  115   HG11  VAL  14          HG11      VAL  14   4.240  17.108  -0.586
  116   HG12  VAL  14          HG12      VAL  14   4.552  15.436  -0.117
  117   HG13  VAL  14          HG13      VAL  14   5.554  16.737   0.532
  118   HG21  VAL  14          HG21      VAL  14   3.855  14.572   2.109
  119   HG22  VAL  14          HG22      VAL  14   3.183  15.655   3.331
  120   HG23  VAL  14          HG23      VAL  14   4.897  15.747   2.919
  121    H    PHE  15           HN       PHE  15   1.646  18.733   0.549
  122    HA   PHE  15           HA       PHE  15   3.121  20.206  -1.478
  123    HB2  PHE  15           HB2      PHE  15   0.157  19.487  -1.316
  124    HB3  PHE  15           HB1      PHE  15   0.952  20.227  -2.704
  125    HD1  PHE  15           HD1      PHE  15   2.959  18.900  -3.735
  126    HD2  PHE  15           HD2      PHE  15  -0.010  17.118  -1.235
  127    HE1  PHE  15           HE1      PHE  15   3.513  16.686  -4.627
  128    HE2  PHE  15           HE2      PHE  15   0.559  14.905  -2.134
  129    HZ   PHE  15           HZ       PHE  15   2.328  14.690  -3.830
  130    H    ASP  16           HN       ASP  16   1.057  20.842   1.261
  131    HA   ASP  16           HA       ASP  16   0.197  22.664   2.239
  132    HB2  ASP  16           HB2      ASP  16   2.594  23.356   2.230
  133    HB3  ASP  16           HB1      ASP  16   2.340  24.171   0.691
  134    H    ASP  17           HN       ASP  17  -1.561  21.938   0.615
  135    HA   ASP  17           HA       ASP  17  -2.695  24.286  -0.642
  136    HB2  ASP  17           HB2      ASP  17  -1.252  23.482  -2.477
  137    HB3  ASP  17           HB1      ASP  17  -1.966  21.872  -2.351
  138    H    ASP  18           HN       ASP  18  -4.746  24.286  -0.097
  139    HA   ASP  18           HA       ASP  18  -6.166  21.982   0.900
  140    HB2  ASP  18           HB2      ASP  18  -6.504  24.173   1.957
  141    HB3  ASP  18           HB1      ASP  18  -7.030  24.870   0.430
  142    H    SER  19           HN       SER  19  -5.891  23.543  -2.193
  143    HA   SER  19           HA       SER  19  -8.417  22.913  -3.328
  144    HB2  SER  19           HB2      SER  19  -5.817  23.180  -4.885
  145    HB3  SER  19           HB1      SER  19  -7.458  23.507  -5.457
  146    HG   SER  19           HG       SER  19  -5.720  25.094  -4.091
  147    H    ILE  20           HN       ILE  20  -5.543  21.008  -2.786
  148    HA   ILE  20           HA       ILE  20  -6.135  18.755  -4.412
  149    HB   ILE  20           HB       ILE  20  -4.472  18.954  -1.853
  150   HG12  ILE  20          HG12      ILE  20  -3.679  18.991  -4.802
  151   HG13  ILE  20          HG11      ILE  20  -3.557  20.331  -3.668
  152   HG21  ILE  20          HG21      ILE  20  -5.189  16.623  -2.180
  153   HG22  ILE  20          HG22      ILE  20  -3.462  16.778  -2.490
  154   HG23  ILE  20          HG23      ILE  20  -4.590  16.650  -3.840
  155   HD11  ILE  20          HD11      ILE  20  -1.830  19.113  -2.435
  156   HD12  ILE  20          HD12      ILE  20  -1.400  19.364  -4.126
  157   HD13  ILE  20          HD13      ILE  20  -1.955  17.780  -3.590
  158    H    VAL  21           HN       VAL  21  -8.089  17.864  -4.220
  159    HA   VAL  21           HA       VAL  21  -9.041  16.883  -1.586
  160    HB   VAL  21           HB       VAL  21 -10.625  17.335  -4.166
  161   HG11  VAL  21          HG11      VAL  21 -11.501  15.368  -2.974
  162   HG12  VAL  21          HG12      VAL  21 -12.637  16.713  -2.842
  163   HG13  VAL  21          HG13      VAL  21 -11.599  16.298  -1.477
  164   HG21  VAL  21          HG21      VAL  21 -10.759  18.820  -1.510
  165   HG22  VAL  21          HG22      VAL  21 -11.827  19.092  -2.890
  166   HG23  VAL  21          HG23      VAL  21 -10.105  19.461  -3.023
  167    H    LEU  22           HN       LEU  22  -8.746  14.711  -1.313
  168    HA   LEU  22           HA       LEU  22  -7.594  13.174  -3.479
  169    HB2  LEU  22           HB2      LEU  22  -8.052  12.450  -0.560
  170    HB3  LEU  22           HB1      LEU  22  -7.140  11.490  -1.718
  171    HG   LEU  22           HG       LEU  22  -6.366  14.254  -0.695
  172   HD11  LEU  22          HD11      LEU  22  -5.123  11.536  -0.170
  173   HD12  LEU  22          HD12      LEU  22  -6.044  12.510   0.980
  174   HD13  LEU  22          HD13      LEU  22  -4.491  13.090   0.387
  175   HD21  LEU  22          HD21      LEU  22  -5.662  14.006  -3.034
  176   HD22  LEU  22          HD22      LEU  22  -4.897  12.456  -2.670
  177   HD23  LEU  22          HD23      LEU  22  -4.264  13.947  -1.967
  178    H    THR  23           HN       THR  23  -8.547  11.598  -4.537
  179    HA   THR  23           HA       THR  23 -10.780  10.072  -3.381
  180    HB   THR  23           HB       THR  23 -11.749   9.757  -5.711
  181    HG1  THR  23           HG1      THR  23 -10.185  12.037  -6.410
  182   HG21  THR  23          HG21      THR  23 -12.839  11.332  -4.150
  183   HG22  THR  23          HG22      THR  23 -12.981  11.878  -5.822
  184   HG23  THR  23          HG23      THR  23 -11.805  12.637  -4.748
  185    H    ARG  24           HN       ARG  24 -10.951   7.997  -4.862
  186    HA   ARG  24           HA       ARG  24  -8.406   6.712  -4.701
  187    HB2  ARG  24           HB2      ARG  24 -11.126   5.694  -5.589
  188    HB3  ARG  24           HB1      ARG  24  -9.690   4.674  -5.488
  189    HG2  ARG  24           HG2      ARG  24  -9.524   5.129  -3.065
  190    HG3  ARG  24           HG1      ARG  24 -10.943   6.173  -3.158
  191    HD2  ARG  24           HD2      ARG  24 -10.910   3.193  -3.762
  192    HD3  ARG  24           HD1      ARG  24 -11.474   3.930  -2.258
  193    HE   ARG  24           HE       ARG  24 -12.975   5.164  -4.167
  194   HH11  ARG  24          HH11      ARG  24 -12.414   1.777  -3.430
  195   HH12  ARG  24          HH12      ARG  24 -14.009   1.294  -3.895
  196   HH21  ARG  24          HH21      ARG  24 -15.052   4.512  -4.778
  197   HH22  ARG  24          HH22      ARG  24 -15.506   2.844  -4.655
  198    H    GLU  25           HN       GLU  25  -9.783   8.525  -7.203
  199    HA   GLU  25           HA       GLU  25  -8.199   7.131  -9.291
  200    HB2  GLU  25           HB2      GLU  25  -9.565   8.349 -10.923
  201    HB3  GLU  25           HB1      GLU  25 -10.588   7.449  -9.810
  202    HG2  GLU  25           HG2      GLU  25 -11.101   9.500  -8.572
  203    HG3  GLU  25           HG1      GLU  25 -10.039  10.426  -9.635
  204    H    THR  26           HN       THR  26  -8.039   9.811  -7.197
  205    HA   THR  26           HA       THR  26  -6.770  11.749  -8.840
  206    HB   THR  26           HB       THR  26  -6.404  11.372  -5.825
  207    HG1  THR  26           HG1      THR  26  -8.501  12.367  -7.361
  208   HG21  THR  26          HG21      THR  26  -4.750  12.942  -6.817
  209   HG22  THR  26          HG22      THR  26  -5.911  13.793  -5.799
  210   HG23  THR  26          HG23      THR  26  -6.072  13.864  -7.553
  211    H    SER  27           HN       SER  27  -5.064  10.996 -10.071
  212    HA   SER  27           HA       SER  27  -2.871   9.467  -8.880
  213    HB2  SER  27           HB2      SER  27  -3.133  10.515 -11.732
  214    HB3  SER  27           HB1      SER  27  -2.041   9.250 -11.155
  215    HG   SER  27           HG       SER  27  -4.865   9.162 -11.434
  216    H    ALA  28           HN       ALA  28  -0.584  10.271  -9.330
  217    HA   ALA  28           HA       ALA  28  -0.045  12.826  -8.342
  218    HB1  ALA  28           HB1      ALA  28   2.249  12.415  -9.147
  219    HB2  ALA  28           HB2      ALA  28   1.663  11.042 -10.090
  220    HB3  ALA  28           HB3      ALA  28   1.563  11.013  -8.331
  221    H    ASN  29           HN       ASN  29  -0.614  11.766 -11.620
  222    HA   ASN  29           HA       ASN  29   0.359  14.064 -13.017
  223    HB2  ASN  29           HB2      ASN  29  -0.030  11.654 -13.932
  224    HB3  ASN  29           HB1      ASN  29  -1.721  12.105 -14.077
  225   HD21  ASN  29          HD21      ASN  29   0.205  11.326 -16.127
  226   HD22  ASN  29          HD22      ASN  29   0.265  12.620 -17.272
  227    H    ASP  30           HN       ASP  30  -2.609  13.270 -11.380
  228    HA   ASP  30           HA       ASP  30  -4.231  15.422 -12.462
  229    HB2  ASP  30           HB2      ASP  30  -4.592  13.588 -10.045
  230    HB3  ASP  30           HB1      ASP  30  -5.773  14.803 -10.525
  231    H    ILE  31           HN       ILE  31  -1.720  15.233 -10.163
  232    HA   ILE  31           HA       ILE  31  -2.513  17.753  -8.818
  233    HB   ILE  31           HB       ILE  31  -0.811  15.431  -7.786
  234   HG12  ILE  31          HG12      ILE  31  -3.463  16.582  -6.798
  235   HG13  ILE  31          HG11      ILE  31  -3.247  15.044  -7.623
  236   HG21  ILE  31          HG21      ILE  31  -0.502  16.684  -5.679
  237   HG22  ILE  31          HG22      ILE  31  -1.294  18.090  -6.389
  238   HG23  ILE  31          HG23      ILE  31   0.247  17.524  -7.039
  239   HD11  ILE  31          HD11      ILE  31  -2.229  15.750  -4.865
  240   HD12  ILE  31          HD12      ILE  31  -1.990  14.204  -5.684
  241   HD13  ILE  31          HD13      ILE  31  -3.614  14.732  -5.253
  242    H    ASP  32           HN       ASP  32  -1.588  19.185 -10.306
  243    HA   ASP  32           HA       ASP  32   1.154  18.972 -11.182
  244    HB2  ASP  32           HB2      ASP  32  -0.533  20.157 -12.555
  245    HB3  ASP  32           HB1      ASP  32  -0.745  21.359 -11.286
  246    H    ALA  33           HN       ALA  33   2.557  18.954  -9.587
  247    HA   ALA  33           HA       ALA  33   3.437  20.726  -7.763
  248    HB1  ALA  33           HB1      ALA  33   2.261  20.242  -5.606
  249    HB2  ALA  33           HB2      ALA  33   1.081  19.265  -6.487
  250    HB3  ALA  33           HB3      ALA  33   1.182  20.998  -6.783
  251    H    TRP  34           HN       TRP  34   2.263  17.468  -8.232
  252    HA   TRP  34           HA       TRP  34   4.025  16.197  -6.346
  253    HB2  TRP  34           HB2      TRP  34   1.639  15.411  -7.172
  254    HB3  TRP  34           HB1      TRP  34   2.515  14.696  -8.518
  255    HD1  TRP  34           HD1      TRP  34   4.980  13.380  -6.995
  256    HE1  TRP  34           HE1      TRP  34   4.606  11.425  -5.372
  257    HE3  TRP  34           HE3      TRP  34   0.018  14.057  -6.055
  258    HZ2  TRP  34           HZ2      TRP  34   2.500  10.305  -3.905
  259    HZ3  TRP  34           HZ3      TRP  34  -1.117  12.485  -4.545
  260    HH2  TRP  34           HH2      TRP  34   0.102  10.643  -3.495
  261    H    ASP  35           HN       ASP  35   6.055  15.709  -6.713
  262    HA   ASP  35           HA       ASP  35   7.005  14.803  -9.363
  263    HB2  ASP  35           HB2      ASP  35   8.503  16.583  -7.368
  264    HB3  ASP  35           HB1      ASP  35   9.272  15.782  -8.739
  265    H    SER  36           HN       SER  36   9.256  13.635  -8.911
  266    HA   SER  36           HA       SER  36   8.815  11.378  -7.282
  267    HB2  SER  36           HB2      SER  36  11.622  12.131  -8.101
  268    HB3  SER  36           HB1      SER  36  10.808  10.568  -8.218
  269    H    LEU  37           HN       LEU  37  10.342  14.457  -6.717
  270    HA   LEU  37           HA       LEU  37  11.588  13.944  -4.221
  271    HB2  LEU  37           HB2      LEU  37  12.021  15.914  -5.754
  272    HB3  LEU  37           HB1      LEU  37  10.489  16.593  -5.255
  273    HG   LEU  37           HG       LEU  37  12.625  17.566  -4.203
  274   HD11  LEU  37          HD11      LEU  37  10.432  18.080  -3.291
  275   HD12  LEU  37          HD12      LEU  37  11.644  17.961  -2.020
  276   HD13  LEU  37          HD13      LEU  37  10.494  16.643  -2.269
  277   HD21  LEU  37          HD21      LEU  37  13.610  16.411  -2.284
  278   HD22  LEU  37          HD22      LEU  37  13.804  15.464  -3.758
  279   HD23  LEU  37          HD23      LEU  37  12.578  15.006  -2.570
  280    H    SER  38           HN       SER  38   8.353  15.152  -5.116
  281    HA   SER  38           HA       SER  38   7.315  15.572  -2.532
  282    HB2  SER  38           HB2      SER  38   5.777  14.724  -5.021
  283    HB3  SER  38           HB1      SER  38   5.114  15.534  -3.596
  284    HG   SER  38           HG       SER  38   6.347  17.352  -4.118
  285    H    HIS  39           HN       HIS  39   7.428  12.700  -4.586
  286    HA   HIS  39           HA       HIS  39   5.977  10.872  -3.087
  287    HB2  HIS  39           HB2      HIS  39   7.838  10.730  -5.306
  288    HB3  HIS  39           HB1      HIS  39   8.276   9.463  -4.173
  289    HD2  HIS  39           HD2      HIS  39   7.342   7.839  -6.436
  290    HE1  HIS  39           HE1      HIS  39   3.312   8.330  -5.248
  291    HE2  HIS  39           HE2      HIS  39   4.894   7.060  -6.757
  292    H    MET  40           HN       MET  40   9.414  11.763  -2.747
  293    HA   MET  40           HA       MET  40  10.125   9.958  -0.698
  294    HB2  MET  40           HB2      MET  40  11.272  12.698  -1.390
  295    HB3  MET  40           HB1      MET  40  12.008  11.602  -0.221
  296    HG2  MET  40           HG2      MET  40  11.631  11.106  -3.185
  297    HG3  MET  40           HG1      MET  40  13.152  11.408  -2.337
  298    HE1  MET  40           HE1      MET  40  12.707   9.584   0.347
  299    HE2  MET  40           HE2      MET  40  14.223   9.632  -0.554
  300    HE3  MET  40           HE3      MET  40  13.469   8.082  -0.175
  301    H    ASN  41           HN       ASN  41   8.823  13.229  -0.586
  302    HA   ASN  41           HA       ASN  41   8.886  13.684   2.206
  303    HB2  ASN  41           HB2      ASN  41   6.886  14.816   0.198
  304    HB3  ASN  41           HB1      ASN  41   7.308  15.508   1.764
  305   HD21  ASN  41          HD21      ASN  41   7.431  16.639  -0.912
  306   HD22  ASN  41          HD22      ASN  41   9.061  17.157  -1.136
  307    H    LEU  42           HN       LEU  42   6.371  12.402   0.040
  308    HA   LEU  42           HA       LEU  42   4.284  12.037   1.850
  309    HB2  LEU  42           HB2      LEU  42   4.951  10.980  -0.855
  310    HB3  LEU  42           HB1      LEU  42   3.951   9.889   0.076
  311    HG   LEU  42           HG       LEU  42   2.504  11.213  -1.313
  312   HD11  LEU  42          HD11      LEU  42   2.318  12.270   1.521
  313   HD12  LEU  42          HD12      LEU  42   1.681  10.729   0.940
  314   HD13  LEU  42          HD13      LEU  42   1.030  12.236   0.311
  315   HD21  LEU  42          HD21      LEU  42   3.763  13.701  -0.123
  316   HD22  LEU  42          HD22      LEU  42   2.408  13.650  -1.258
  317   HD23  LEU  42          HD23      LEU  42   3.999  13.092  -1.765
  318    H    ILE  43           HN       ILE  43   6.662   9.576   0.758
  319    HA   ILE  43           HA       ILE  43   5.654   7.473   2.276
  320    HB   ILE  43           HB       ILE  43   8.317   7.920   0.917
  321   HG12  ILE  43          HG12      ILE  43   7.633   5.944  -0.438
  322   HG13  ILE  43          HG11      ILE  43   6.194   5.745   0.554
  323   HG21  ILE  43          HG21      ILE  43   9.110   5.646   1.535
  324   HG22  ILE  43          HG22      ILE  43   7.757   5.495   2.662
  325   HG23  ILE  43          HG23      ILE  43   9.000   6.718   2.930
  326   HD11  ILE  43          HD11      ILE  43   6.798   8.048  -1.289
  327   HD12  ILE  43          HD12      ILE  43   5.352   7.894  -0.289
  328   HD13  ILE  43          HD13      ILE  43   5.668   6.734  -1.577
  329    H    VAL  44           HN       VAL  44   8.370   9.718   3.133
  330    HA   VAL  44           HA       VAL  44   9.032   8.402   5.537
  331    HB   VAL  44           HB       VAL  44  10.293  10.425   6.176
  332   HG11  VAL  44          HG11      VAL  44  11.875  10.435   4.270
  333   HG12  VAL  44          HG12      VAL  44  10.666   9.642   3.260
  334   HG13  VAL  44          HG13      VAL  44  11.337   8.796   4.657
  335   HG21  VAL  44          HG21      VAL  44  10.364  12.420   4.715
  336   HG22  VAL  44          HG22      VAL  44   8.742  12.180   5.366
  337   HG23  VAL  44          HG23      VAL  44   9.096  11.731   3.697
  338    H    SER  45           HN       SER  45   6.685  10.988   4.888
  339    HA   SER  45           HA       SER  45   5.963  11.503   7.613
  340    HB2  SER  45           HB2      SER  45   4.355  11.934   5.054
  341    HB3  SER  45           HB1      SER  45   3.956  12.614   6.635
  342    HG   SER  45           HG       SER  45   6.334  13.101   5.157
  343    H    LEU  46           HN       LEU  46   4.726   9.310   5.133
  344    HA   LEU  46           HA       LEU  46   2.503   8.304   6.593
  345    HB2  LEU  46           HB2      LEU  46   4.007   7.092   4.252
  346    HB3  LEU  46           HB1      LEU  46   2.438   6.559   4.832
  347    HG   LEU  46           HG       LEU  46   3.043   9.258   3.561
  348   HD11  LEU  46          HD11      LEU  46   1.477   6.918   2.445
  349   HD12  LEU  46          HD12      LEU  46   3.077   7.450   1.921
  350   HD13  LEU  46          HD13      LEU  46   1.680   8.496   1.680
  351   HD21  LEU  46          HD21      LEU  46   0.638   9.687   3.634
  352   HD22  LEU  46          HD22      LEU  46   1.305   9.505   5.254
  353   HD23  LEU  46          HD23      LEU  46   0.384   8.184   4.529
  354    H    GLU  47           HN       GLU  47   5.878   7.367   6.355
  355    HA   GLU  47           HA       GLU  47   5.894   4.844   7.592
  356    HB2  GLU  47           HB2      GLU  47   8.000   7.060   7.606
  357    HB3  GLU  47           HB1      GLU  47   8.297   5.448   8.243
  358    HG2  GLU  47           HG2      GLU  47   7.523   5.992   5.377
  359    HG3  GLU  47           HG1      GLU  47   9.189   5.924   5.932
  360    H    VAL  48           HN       VAL  48   6.518   8.087   8.959
  361    HA   VAL  48           HA       VAL  48   6.885   7.093  11.602
  362    HB   VAL  48           HB       VAL  48   7.126   9.458  12.265
  363   HG11  VAL  48          HG11      VAL  48   9.125   9.977  10.903
  364   HG12  VAL  48          HG12      VAL  48   8.629   8.770   9.712
  365   HG13  VAL  48          HG13      VAL  48   9.070   8.270  11.346
  366   HG21  VAL  48          HG21      VAL  48   6.997  11.285  10.593
  367   HG22  VAL  48          HG22      VAL  48   5.427  10.514  10.825
  368   HG23  VAL  48          HG23      VAL  48   6.388  10.142   9.390
  369    H    HIS  49           HN       HIS  49   4.147   8.735   9.996
  370    HA   HIS  49           HA       HIS  49   2.561   9.081  12.322
  371    HB2  HIS  49           HB2      HIS  49   1.922   9.115   9.358
  372    HB3  HIS  49           HB1      HIS  49   0.615   9.185  10.531
  373    HD1  HIS  49           HD1      HIS  49   0.126  11.389  11.598
  374    HD2  HIS  49           HD2      HIS  49   3.714  11.426   9.509
  375    HE1  HIS  49           HE1      HIS  49   0.864  13.779  11.587
  376    HE2  HIS  49           HE2      HIS  49   3.137  13.734  10.497
  377    H    TYR  50           HN       TYR  50   2.371   6.539   9.781
  378    HA   TYR  50           HA       TYR  50   0.297   5.109  11.270
  379    HB2  TYR  50           HB2      TYR  50   1.660   4.526   8.623
  380    HB3  TYR  50           HB1      TYR  50   0.380   3.533   9.301
  381    HD1  TYR  50           HD1      TYR  50  -1.951   4.539   9.576
  382    HD2  TYR  50           HD2      TYR  50   1.124   6.533   7.371
  383    HE1  TYR  50           HE1      TYR  50  -3.650   5.907   8.440
  384    HE2  TYR  50           HE2      TYR  50  -0.585   7.895   6.240
  385    HH   TYR  50           HH       TYR  50  -3.011   7.723   5.688
  386    H    LYS  51           HN       LYS  51   3.704   5.018  11.158
  387    HA   LYS  51           HA       LYS  51   5.353   3.651  11.815
  388    HB2  LYS  51           HB2      LYS  51   3.231   2.486  13.657
  389    HB3  LYS  51           HB1      LYS  51   4.933   2.079  13.758
  390    HG2  LYS  51           HG2      LYS  51   4.738   3.683  15.429
  391    HG3  LYS  51           HG1      LYS  51   5.313   4.642  14.062
  392    HD2  LYS  51           HD2      LYS  51   2.920   5.293  13.605
  393    HD3  LYS  51           HD1      LYS  51   2.452   4.439  15.081
  394    HE2  LYS  51           HE2      LYS  51   4.310   6.835  14.896
  395    HE3  LYS  51           HE1      LYS  51   2.654   6.847  15.496
  396    HZ1  LYS  51           HZ1      LYS  51   4.973   5.463  16.734
  397    HZ2  LYS  51           HZ2      LYS  51   3.381   5.363  17.293
  398    HZ3  LYS  51           HZ3      LYS  51   4.193   6.846  17.315
  399    H    ILE  52           HN       ILE  52   4.428   2.939   9.396
  400    HA   ILE  52           HA       ILE  52   4.557  -0.032   9.368
  401    HB   ILE  52           HB       ILE  52   2.967  -0.116   7.437
  402   HG12  ILE  52          HG12      ILE  52   2.492   2.826   8.089
  403   HG13  ILE  52          HG11      ILE  52   3.132   2.173   6.587
  404   HG21  ILE  52          HG21      ILE  52   1.729   1.026   9.962
  405   HG22  ILE  52          HG22      ILE  52   2.160  -0.664   9.692
  406   HG23  ILE  52          HG23      ILE  52   0.880   0.082   8.731
  407   HD11  ILE  52          HD11      ILE  52   0.814   2.917   6.378
  408   HD12  ILE  52          HD12      ILE  52   0.319   1.766   7.618
  409   HD13  ILE  52          HD13      ILE  52   0.960   1.188   6.078
  410    H    LYS  53           HN       LYS  53   5.071  -0.815   7.083
  411    HA   LYS  53           HA       LYS  53   7.427   0.718   6.153
  412    HB2  LYS  53           HB2      LYS  53   7.940  -1.386   7.322
  413    HB3  LYS  53           HB1      LYS  53   6.853  -2.275   6.258
  414    HG2  LYS  53           HG2      LYS  53   8.358  -1.737   4.338
  415    HG3  LYS  53           HG1      LYS  53   9.468  -0.946   5.466
  416    HD2  LYS  53           HD2      LYS  53   9.738  -3.104   6.676
  417    HD3  LYS  53           HD1      LYS  53   8.650  -3.878   5.522
  418    HE2  LYS  53           HE2      LYS  53  10.252  -3.327   3.699
  419    HE3  LYS  53           HE1      LYS  53  11.354  -2.644   4.899
  420    HZ1  LYS  53           HZ1      LYS  53  11.431  -4.826   5.960
  421    HZ2  LYS  53           HZ2      LYS  53  11.981  -4.888   4.364
  422    HZ3  LYS  53           HZ3      LYS  53  10.435  -5.463   4.750
  423    H    PHE  54           HN       PHE  54   6.659   1.806   4.370
  424    HA   PHE  54           HA       PHE  54   5.272   0.468   2.178
  425    HB2  PHE  54           HB2      PHE  54   6.411   3.302   2.372
  426    HB3  PHE  54           HB1      PHE  54   5.497   2.681   1.007
  427    HD1  PHE  54           HD2      PHE  54   3.086   2.224   1.187
  428    HD2  PHE  54           HD1      PHE  54   5.247   3.924   4.461
  429    HE1  PHE  54           HE2      PHE  54   0.969   2.893   2.238
  430    HE2  PHE  54           HE1      PHE  54   3.127   4.576   5.510
  431    HZ   PHE  54           HZ       PHE  54   0.983   4.075   4.398
  432    H    ALA  55           HN       ALA  55   6.412  -0.811   0.889
  433    HA   ALA  55           HA       ALA  55   9.308  -0.511   0.530
  434    HB1  ALA  55           HB1      ALA  55   8.404  -2.787   0.865
  435    HB2  ALA  55           HB2      ALA  55   9.142  -2.635  -0.728
  436    HB3  ALA  55           HB3      ALA  55   7.384  -2.612  -0.566
  437    H    LEU  56           HN       LEU  56  10.180   0.382  -1.289
  438    HA   LEU  56           HA       LEU  56   8.619   2.143  -2.868
  439    HB2  LEU  56           HB2      LEU  56  11.208   2.113  -2.195
  440    HB3  LEU  56           HB1      LEU  56  11.409   1.266  -3.709
  441    HG   LEU  56           HG       LEU  56  11.903   3.723  -3.814
  442   HD11  LEU  56          HD11      LEU  56   9.624   2.916  -5.622
  443   HD12  LEU  56          HD12      LEU  56  11.334   2.560  -5.875
  444   HD13  LEU  56          HD13      LEU  56  10.770   4.231  -5.903
  445   HD21  LEU  56          HD21      LEU  56  10.219   4.506  -2.218
  446   HD22  LEU  56          HD22      LEU  56   8.930   4.113  -3.360
  447   HD23  LEU  56          HD23      LEU  56  10.106   5.370  -3.749
  448    H    GLY  57           HN       GLY  57   9.620  -1.177  -3.386
  449    HA2  GLY  57           HA2      GLY  57   9.120  -1.544  -6.123
  450    HA3  GLY  57           HA1      GLY  57   8.954  -2.774  -4.878
  451    H    GLU  58           HN       GLU  58   6.925  -1.654  -3.332
  452    HA   GLU  58           HA       GLU  58   4.516  -2.261  -4.733
  453    HB2  GLU  58           HB2      GLU  58   4.811  -0.749  -2.097
  454    HB3  GLU  58           HB1      GLU  58   3.335  -1.506  -2.698
  455    HG2  GLU  58           HG2      GLU  58   4.339  -3.717  -2.476
  456    HG3  GLU  58           HG1      GLU  58   5.876  -3.003  -1.982
  457    H    LEU  59           HN       LEU  59   6.115   0.771  -3.791
  458    HA   LEU  59           HA       LEU  59   4.118   2.622  -4.483
  459    HB2  LEU  59           HB2      LEU  59   7.127   2.804  -4.220
  460    HB3  LEU  59           HB1      LEU  59   6.272   4.169  -4.898
  461    HG   LEU  59           HG       LEU  59   6.719   4.513  -2.515
  462   HD11  LEU  59          HD11      LEU  59   4.480   5.101  -1.768
  463   HD12  LEU  59          HD12      LEU  59   3.777   4.123  -3.059
  464   HD13  LEU  59          HD13      LEU  59   4.740   5.549  -3.453
  465   HD21  LEU  59          HD21      LEU  59   5.012   2.072  -1.982
  466   HD22  LEU  59          HD22      LEU  59   5.651   3.183  -0.765
  467   HD23  LEU  59          HD23      LEU  59   6.754   2.205  -1.729
  468    H    GLN  60           HN       GLN  60   6.636   1.134  -6.517
  469    HA   GLN  60           HA       GLN  60   6.198   2.489  -8.920
  470    HB2  GLN  60           HB2      GLN  60   6.934  -0.450  -8.587
  471    HB3  GLN  60           HB1      GLN  60   7.195   0.511 -10.037
  472    HG2  GLN  60           HG2      GLN  60   8.539   1.006  -7.358
  473    HG3  GLN  60           HG1      GLN  60   9.252   0.115  -8.697
  474   HE21  GLN  60          HE21      GLN  60  10.999   1.530  -8.823
  475   HE22  GLN  60          HE22      GLN  60  10.858   3.142  -9.426
  476    H    LYS  61           HN       LYS  61   4.146   0.180  -7.364
  477    HA   LYS  61           HA       LYS  61   2.400  -0.096  -9.743
  478    HB2  LYS  61           HB2      LYS  61   2.583  -1.779  -7.210
  479    HB3  LYS  61           HB1      LYS  61   1.386  -2.024  -8.478
  480    HG2  LYS  61           HG2      LYS  61   4.380  -2.211  -8.983
  481    HG3  LYS  61           HG1      LYS  61   3.401  -3.586  -8.490
  482    HD2  LYS  61           HD2      LYS  61   3.456  -3.855 -10.810
  483    HD3  LYS  61           HD1      LYS  61   1.931  -3.004 -10.588
  484    HE2  LYS  61           HE2      LYS  61   3.183  -0.853 -11.122
  485    HE3  LYS  61           HE1      LYS  61   4.566  -1.849 -11.568
  486    HZ1  LYS  61           HZ1      LYS  61   1.872  -1.976 -12.791
  487    HZ2  LYS  61           HZ2      LYS  61   3.210  -2.900 -13.249
  488    HZ3  LYS  61           HZ3      LYS  61   3.225  -1.225 -13.468
  489    H    LEU  62           HN       LEU  62   2.656   1.854  -7.079
  490    HA   LEU  62           HA       LEU  62  -0.253   2.104  -6.628
  491    HB2  LEU  62           HB2      LEU  62   2.000   3.655  -5.269
  492    HB3  LEU  62           HB1      LEU  62   0.298   3.659  -4.817
  493    HG   LEU  62           HG       LEU  62   2.264   1.363  -4.529
  494   HD11  LEU  62          HD11      LEU  62   1.899   1.586  -2.139
  495   HD12  LEU  62          HD12      LEU  62   0.792   2.935  -2.412
  496   HD13  LEU  62          HD13      LEU  62   2.498   3.088  -2.834
  497   HD21  LEU  62          HD21      LEU  62   0.456   0.050  -3.489
  498   HD22  LEU  62          HD22      LEU  62   0.135   0.393  -5.185
  499   HD23  LEU  62          HD23      LEU  62  -0.710   1.303  -3.931
  500    H    LYS  63           HN       LYS  63  -0.955   2.949  -8.526
  501    HA   LYS  63           HA       LYS  63   0.495   4.989  -9.998
  502    HB2  LYS  63           HB2      LYS  63  -0.644   2.999 -11.047
  503    HB3  LYS  63           HB1      LYS  63  -2.197   3.653 -10.573
  504    HG2  LYS  63           HG2      LYS  63  -0.342   5.204 -12.400
  505    HG3  LYS  63           HG1      LYS  63  -1.371   3.925 -13.038
  506    HD2  LYS  63           HD2      LYS  63  -2.312   6.442 -11.611
  507    HD3  LYS  63           HD1      LYS  63  -2.405   6.130 -13.345
  508    HE2  LYS  63           HE2      LYS  63  -3.985   4.287 -12.949
  509    HE3  LYS  63           HE1      LYS  63  -3.842   4.520 -11.204
  510    HZ1  LYS  63           HZ1      LYS  63  -5.813   5.567 -11.998
  511    HZ2  LYS  63           HZ2      LYS  63  -4.951   6.451 -13.150
  512    HZ3  LYS  63           HZ3      LYS  63  -4.725   6.764 -11.506
  513    H    ASN  64           HN       ASN  64  -2.246   4.837  -7.848
  514    HA   ASN  64           HA       ASN  64  -2.358   7.750  -7.837
  515    HB2  ASN  64           HB2      ASN  64  -4.898   7.741  -7.854
  516    HB3  ASN  64           HB1      ASN  64  -4.141   7.358  -9.385
  517   HD21  ASN  64          HD21      ASN  64  -4.679   5.086  -6.690
  518   HD22  ASN  64          HD22      ASN  64  -5.790   4.096  -7.546
  519    H    VAL  65           HN       VAL  65  -3.920   8.514  -6.080
  520    HA   VAL  65           HA       VAL  65  -2.821   7.779  -3.599
  521    HB   VAL  65           HB       VAL  65  -5.331   9.434  -4.149
  522   HG11  VAL  65          HG11      VAL  65  -5.222   8.739  -1.786
  523   HG12  VAL  65          HG12      VAL  65  -4.937  10.474  -1.934
  524   HG13  VAL  65          HG13      VAL  65  -3.581   9.378  -1.658
  525   HG21  VAL  65          HG21      VAL  65  -3.854  11.418  -4.018
  526   HG22  VAL  65          HG22      VAL  65  -3.363  10.345  -5.330
  527   HG23  VAL  65          HG23      VAL  65  -2.451  10.364  -3.821
  528    H    GLY  66           HN       GLY  66  -5.652   6.644  -5.304
  529    HA2  GLY  66           HA2      GLY  66  -7.023   5.360  -3.159
  530    HA3  GLY  66           HA1      GLY  66  -7.196   5.011  -4.875
  531    H    ASP  67           HN       ASP  67  -4.516   4.278  -5.433
  532    HA   ASP  67           HA       ASP  67  -4.434   1.551  -4.605
  533    HB2  ASP  67           HB2      ASP  67  -2.243   3.230  -5.919
  534    HB3  ASP  67           HB1      ASP  67  -2.216   1.476  -5.758
  535    H    LEU  68           HN       LEU  68  -2.642   4.481  -3.736
  536    HA   LEU  68           HA       LEU  68  -0.890   3.395  -1.824
  537    HB2  LEU  68           HB2      LEU  68  -0.568   5.614  -2.831
  538    HB3  LEU  68           HB1      LEU  68  -2.040   6.199  -2.080
  539    HG   LEU  68           HG       LEU  68  -0.989   5.989   0.166
  540   HD11  LEU  68          HD11      LEU  68   0.598   4.164  -0.254
  541   HD12  LEU  68          HD12      LEU  68   1.422   5.571   0.413
  542   HD13  LEU  68          HD13      LEU  68   1.550   5.213  -1.312
  543   HD21  LEU  68          HD21      LEU  68   0.653   7.661  -1.768
  544   HD22  LEU  68          HD22      LEU  68   0.524   7.908  -0.025
  545   HD23  LEU  68          HD23      LEU  68  -0.891   8.132  -1.051
  546    H    ALA  69           HN       ALA  69  -4.190   4.673  -1.523
  547    HA   ALA  69           HA       ALA  69  -4.385   4.609   1.323
  548    HB1  ALA  69           HB1      ALA  69  -6.810   4.915   0.978
  549    HB2  ALA  69           HB2      ALA  69  -6.620   4.564  -0.744
  550    HB3  ALA  69           HB3      ALA  69  -5.881   6.008  -0.052
  551    H    ASP  70           HN       ASP  70  -5.416   2.382  -1.237
  552    HA   ASP  70           HA       ASP  70  -6.513   0.319   0.331
  553    HB2  ASP  70           HB2      ASP  70  -6.877   0.377  -2.094
  554    HB3  ASP  70           HB1      ASP  70  -5.155   0.199  -2.394
  555    H    LEU  71           HN       LEU  71  -3.230   1.085  -0.631
  556    HA   LEU  71           HA       LEU  71  -2.007  -1.336   0.254
  557    HB2  LEU  71           HB2      LEU  71  -1.144   0.287  -1.513
  558    HB3  LEU  71           HB1      LEU  71  -0.680   1.369  -0.224
  559    HG   LEU  71           HG       LEU  71   1.153  -0.090  -1.332
  560   HD11  LEU  71          HD11      LEU  71   2.434  -0.348   0.710
  561   HD12  LEU  71          HD12      LEU  71   0.973  -0.124   1.677
  562   HD13  LEU  71          HD13      LEU  71   1.582   1.192   0.672
  563   HD21  LEU  71          HD21      LEU  71   0.004  -2.235   0.469
  564   HD22  LEU  71          HD22      LEU  71   1.496  -2.330  -0.474
  565   HD23  LEU  71          HD23      LEU  71  -0.059  -2.225  -1.297
  566    H    VAL  72           HN       VAL  72  -2.584   1.863   1.767
  567    HA   VAL  72           HA       VAL  72  -1.303   1.376   4.238
  568    HB   VAL  72           HB       VAL  72  -3.759   3.110   3.685
  569   HG11  VAL  72          HG11      VAL  72  -3.611   2.595   6.102
  570   HG12  VAL  72          HG12      VAL  72  -3.216   4.287   5.814
  571   HG13  VAL  72          HG13      VAL  72  -1.925   3.126   6.130
  572   HG21  VAL  72          HG21      VAL  72  -0.831   3.907   3.892
  573   HG22  VAL  72          HG22      VAL  72  -2.184   5.019   3.649
  574   HG23  VAL  72          HG23      VAL  72  -1.781   3.832   2.410
  575    H    ASP  73           HN       ASP  73  -4.627   0.661   3.124
  576    HA   ASP  73           HA       ASP  73  -5.708  -0.481   5.474
  577    HB2  ASP  73           HB2      ASP  73  -6.329  -1.173   2.564
  578    HB3  ASP  73           HB1      ASP  73  -7.268  -1.765   3.929
  579    H    LYS  74           HN       LYS  74  -3.841  -1.852   2.836
  580    HA   LYS  74           HA       LYS  74  -3.928  -4.582   3.538
  581    HB2  LYS  74           HB2      LYS  74  -1.900  -2.998   1.911
  582    HB3  LYS  74           HB1      LYS  74  -1.770  -4.738   2.128
  583    HG2  LYS  74           HG2      LYS  74  -4.113  -3.314   0.828
  584    HG3  LYS  74           HG1      LYS  74  -2.792  -4.109  -0.037
  585    HD2  LYS  74           HD2      LYS  74  -3.458  -6.284   0.965
  586    HD3  LYS  74           HD1      LYS  74  -4.771  -5.483   1.837
  587    HE2  LYS  74           HE2      LYS  74  -4.510  -5.644  -1.190
  588    HE3  LYS  74           HE1      LYS  74  -5.576  -6.640  -0.197
  589    HZ1  LYS  74           HZ1      LYS  74  -6.735  -4.635   0.497
  590    HZ2  LYS  74           HZ2      LYS  74  -6.767  -4.798  -1.183
  591    HZ3  LYS  74           HZ3      LYS  74  -5.722  -3.682  -0.467
  592    H    LYS  75           HN       LYS  75  -1.619  -2.009   4.387
  593    HA   LYS  75           HA       LYS  75   0.219  -3.616   5.852
  594    HB2  LYS  75           HB2      LYS  75  -0.368  -0.632   6.117
  595    HB3  LYS  75           HB1      LYS  75   1.025  -1.451   6.823
  596    HG2  LYS  75           HG2      LYS  75   0.440  -1.203   3.859
  597    HG3  LYS  75           HG1      LYS  75   1.577  -0.201   4.767
  598    HD2  LYS  75           HD2      LYS  75   2.991  -2.123   5.226
  599    HD3  LYS  75           HD1      LYS  75   1.805  -3.225   4.520
  600    HE2  LYS  75           HE2      LYS  75   2.145  -2.166   2.314
  601    HE3  LYS  75           HE1      LYS  75   3.329  -1.073   3.028
  602    HZ1  LYS  75           HZ1      LYS  75   4.303  -2.986   1.876
  603    HZ2  LYS  75           HZ2      LYS  75   3.596  -4.016   3.007
  604    HZ3  LYS  75           HZ3      LYS  75   4.754  -2.888   3.498
  605    H    LEU  76           HN       LEU  76  -2.610  -1.681   6.842
  606    HA   LEU  76           HA       LEU  76  -2.321  -2.165   9.655
  607    HB2  LEU  76           HB2      LEU  76  -4.730  -1.195   8.071
  608    HB3  LEU  76           HB1      LEU  76  -4.593  -1.156   9.824
  609    HG   LEU  76           HG       LEU  76  -2.907   0.449   7.854
  610   HD11  LEU  76          HD11      LEU  76  -4.019   2.419   8.816
  611   HD12  LEU  76          HD12      LEU  76  -5.021   1.371   9.825
  612   HD13  LEU  76          HD13      LEU  76  -5.175   1.318   8.067
  613   HD21  LEU  76          HD21      LEU  76  -1.882   1.529   9.829
  614   HD22  LEU  76          HD22      LEU  76  -1.519  -0.193   9.770
  615   HD23  LEU  76          HD23      LEU  76  -2.742   0.409  10.894
  616    H    ALA  77           HN       ALA  77  -3.747  -3.948   7.041
  617    HA   ALA  77           HA       ALA  77  -5.225  -5.816   8.715
  618    HB1  ALA  77           HB1      ALA  77  -5.636  -7.036   6.607
  619    HB2  ALA  77           HB2      ALA  77  -4.522  -5.958   5.761
  620    HB3  ALA  77           HB3      ALA  77  -6.023  -5.320   6.432
  621    H    ARG  78           HN       ARG  78  -2.054  -5.553   7.192
  622    HA   ARG  78           HA       ARG  78  -1.125  -8.209   7.792
  623    HB2  ARG  78           HB2      ARG  78   0.338  -5.638   7.063
  624    HB3  ARG  78           HB1      ARG  78   1.189  -7.136   7.421
  625    HG2  ARG  78           HG2      ARG  78  -0.784  -6.722   5.156
  626    HG3  ARG  78           HG1      ARG  78   0.976  -6.805   5.009
  627    HD2  ARG  78           HD2      ARG  78  -0.877  -9.037   5.914
  628    HD3  ARG  78           HD1      ARG  78  -0.036  -8.935   4.372
  629    HE   ARG  78           HE       ARG  78   2.067  -9.239   5.549
  630   HH11  ARG  78          HH11      ARG  78  -0.798 -10.042   7.436
  631   HH12  ARG  78          HH12      ARG  78   0.064 -11.097   8.505
  632   HH21  ARG  78          HH21      ARG  78   3.159 -10.640   6.989
  633   HH22  ARG  78          HH22      ARG  78   2.281 -11.437   8.257
  634    H    LYS  79           HN       LYS  79  -1.313  -5.179   9.505
  635    HA   LYS  79           HA       LYS  79   0.555  -5.970  11.604
  636    HB2  LYS  79           HB2      LYS  79  -1.142  -3.465  11.196
  637    HB3  LYS  79           HB1      LYS  79  -0.216  -3.747  12.669
  638    HG2  LYS  79           HG2      LYS  79   0.912  -3.441   9.864
  639    HG3  LYS  79           HG1      LYS  79   0.971  -2.234  11.155
  640    HD2  LYS  79           HD2      LYS  79   2.311  -3.928  12.522
  641    HD3  LYS  79           HD1      LYS  79   2.395  -4.931  11.069
  642    HE2  LYS  79           HE2      LYS  79   4.442  -3.668  11.221
  643    HE3  LYS  79           HE1      LYS  79   3.494  -2.983   9.897
  644    HZ1  LYS  79           HZ1      LYS  79   2.753  -1.236  11.414
  645    HZ2  LYS  79           HZ2      LYS  79   4.438  -1.250  11.263
  646    HZ3  LYS  79           HZ3      LYS  79   3.707  -1.887  12.646
  647    H    LEU  80           HN       LEU  80  -2.830  -4.808  11.563
  648    HA   LEU  80           HA       LEU  80  -4.496  -4.859  13.071
  649    HB2  LEU  80           HB2      LEU  80  -3.565  -7.719  13.516
  650    HB3  LEU  80           HB1      LEU  80  -5.122  -7.073  14.012
  651    HG   LEU  80           HG       LEU  80  -4.183  -7.348  11.124
  652   HD11  LEU  80          HD11      LEU  80  -5.777  -9.192  10.931
  653   HD12  LEU  80          HD12      LEU  80  -6.179  -9.051  12.645
  654   HD13  LEU  80          HD13      LEU  80  -4.554  -9.535  12.154
  655   HD21  LEU  80          HD21      LEU  80  -5.749  -5.478  11.369
  656   HD22  LEU  80          HD22      LEU  80  -6.907  -6.517  12.208
  657   HD23  LEU  80          HD23      LEU  80  -6.517  -6.810  10.511
  658    H    GLU  81           HN       GLU  81  -1.651  -4.302  13.951
  659    HA   GLU  81           HA       GLU  81  -1.438  -5.071  16.740
  660    HB2  GLU  81           HB2      GLU  81   0.408  -3.371  14.986
  661    HB3  GLU  81           HB1      GLU  81   0.785  -3.929  16.613
  662    HG2  GLU  81           HG2      GLU  81   0.384  -5.705  14.181
  663    HG3  GLU  81           HG1      GLU  81   1.937  -5.237  14.867
  664    H    HIS  82           HN       HIS  82  -0.290  -2.982  17.952
  665    HA   HIS  82           HA       HIS  82  -0.702  -1.151  19.185
  666    HB2  HIS  82           HB2      HIS  82  -2.156  -0.097  16.715
  667    HB3  HIS  82           HB1      HIS  82  -1.715   0.873  18.109
  668    HD1  HIS  82           HD1      HIS  82   0.375   2.155  17.821
  669    HD2  HIS  82           HD2      HIS  82   0.311  -1.221  15.407
  670    HE1  HIS  82           HE1      HIS  82   2.455   2.294  16.417
  671    HE2  HIS  82           HE2      HIS  82   2.358   0.274  14.908
  672    H    HIS  83           HN       HIS  83  -2.003  -2.547  20.549
  673    HA   HIS  83           HA       HIS  83  -4.886  -2.613  20.262
  674    HB2  HIS  83           HB2      HIS  83  -3.047  -3.543  22.509
  675    HB3  HIS  83           HB1      HIS  83  -4.798  -3.692  22.589
  676    HD1  HIS  83           HD1      HIS  83  -2.259  -5.886  22.243
  677    HD2  HIS  83           HD2      HIS  83  -5.448  -5.024  19.732
  678    HE1  HIS  83           HE1      HIS  83  -2.630  -7.971  20.896
  679    HE2  HIS  83           HE2      HIS  83  -4.684  -7.485  19.522
  680    H    HIS  84           HN       HIS  84  -5.146  -0.314  20.089
  681    HA   HIS  84           HA       HIS  84  -5.922   0.838  22.634
  682    HB2  HIS  84           HB2      HIS  84  -3.553   1.675  22.250
  683    HB3  HIS  84           HB1      HIS  84  -4.113   2.465  20.783
  684    HD1  HIS  84           HD1      HIS  84  -4.043   2.809  24.468
  685    HD2  HIS  84           HD2      HIS  84  -5.866   4.704  21.257
  686    HE1  HIS  84           HE1      HIS  84  -4.955   4.954  25.382
  687    HE2  HIS  84           HE2      HIS  84  -6.228   5.978  23.473
  688    H    HIS  85           HN       HIS  85  -7.937   0.419  21.804
  689    HA   HIS  85           HA       HIS  85  -8.915   1.980  19.496
  690    HB2  HIS  85           HB2      HIS  85 -10.302  -0.186  21.149
  691    HB3  HIS  85           HB1      HIS  85 -10.994   0.616  19.743
  692    HD1  HIS  85           HD1      HIS  85 -11.042  -1.087  17.932
  693    HD2  HIS  85           HD2      HIS  85  -7.502  -1.286  20.093
  694    HE1  HIS  85           HE1      HIS  85  -9.673  -2.874  16.823
  695    HE2  HIS  85           HE2      HIS  85  -7.640  -3.118  18.286
  696    H    HIS  86           HN       HIS  86 -10.465   3.608  19.788
  697    HA   HIS  86           HA       HIS  86 -10.380   5.068  22.206
  698    HB2  HIS  86           HB2      HIS  86 -11.981   6.605  21.168
  699    HB3  HIS  86           HB1      HIS  86 -10.732   6.151  20.019
  700    HD1  HIS  86           HD1      HIS  86 -11.468   4.651  17.985
  701    HD2  HIS  86           HD2      HIS  86 -14.581   5.904  20.437
  702    HE1  HIS  86           HE1      HIS  86 -13.576   4.167  16.705
  703    HE2  HIS  86           HE2      HIS  86 -15.429   5.093  18.140
  704    H    HIS  87           HN       HIS  87 -12.552   2.605  21.097
  705    HA   HIS  87           HA       HIS  87 -14.446   2.953  23.315
  706    HB2  HIS  87           HB2      HIS  87 -15.418   2.452  21.120
  707    HB3  HIS  87           HB1      HIS  87 -14.388   1.036  20.936
  708    HD1  HIS  87           HD1      HIS  87 -15.407  -1.128  21.640
  709    HD2  HIS  87           HD2      HIS  87 -17.336   2.138  23.336
  710    HE1  HIS  87           HE1      HIS  87 -17.391  -2.079  22.847
  711    HE2  HIS  87           HE2      HIS  87 -18.489  -0.093  23.946
  712   H282  PNS  88          H282      PNS  88   7.391  11.984  -9.419
  713   H281  PNS  88          H281      PNS  88   7.407  12.079 -11.184
  714   H303  PNS  88          H303      PNS  88   4.983  12.194  -9.108
  715   H302  PNS  88          H302      PNS  88   4.757  12.498 -10.832
  716   H301  PNS  88          H301      PNS  88   3.835  11.211 -10.037
  717   H313  PNS  88          H313      PNS  88   4.842   9.152  -9.287
  718   H312  PNS  88          H312      PNS  88   6.561   8.818  -9.524
  719   H311  PNS  88          H311      PNS  88   6.060  10.012  -8.324
  720    H32  PNS  88           H32      PNS  88   5.843  10.933 -12.578
  721    H33  PNS  88           H33      PNS  88   6.166   8.286 -12.338
  722    H36  PNS  88           H36      PNS  88   4.667   8.045 -10.850
  723   H372  PNS  88          H372      PNS  88   1.895   8.428 -11.408
  724   H371  PNS  88          H371      PNS  88   2.630   7.266 -12.519
  725   H382  PNS  88          H382      PNS  88   1.668   6.080 -10.655
  726   H381  PNS  88          H381      PNS  88   3.426   5.950 -10.584
  727    H41  PNS  88           H41      PNS  88   0.843   8.156  -9.423
  728   H422  PNS  88          H422      PNS  88   2.316   8.635  -6.893
  729   H421  PNS  88          H421      PNS  88   0.982   9.597  -7.528
  730   H431  PNS  88          H431      PNS  88   0.474   6.749  -6.756
  731   H432  PNS  88          H432      PNS  88  -0.627   8.115  -6.792
  732    H44  PNS  88           H44      PNS  88   1.846   8.419  -4.554
  Start of MODEL    9
    1    H1   MET   1           HT1      MET   1 -13.940   3.237   3.198
    2    H2   MET   1           HT2      MET   1 -13.187   2.338   4.413
    3    H3   MET   1           HT3      MET   1 -13.288   1.722   2.842
    4    HA   MET   1           HA       MET   1 -11.084   2.517   3.328
    5    HB2  MET   1           HB2      MET   1 -11.977   2.589   1.008
    6    HB3  MET   1           HB1      MET   1 -12.576   4.218   1.280
    7    HG2  MET   1           HG2      MET   1 -10.289   5.045   1.523
    8    HG3  MET   1           HG1      MET   1  -9.658   3.405   1.343
    9    HE1  MET   1           HE1      MET   1 -10.593   2.588  -2.389
   10    HE2  MET   1           HE2      MET   1 -11.517   2.190  -0.941
   11    HE3  MET   1           HE3      MET   1  -9.761   2.012  -0.945
   12    HA   PRO   2           HA       PRO   2 -11.720   6.268   5.990
   13    HB2  PRO   2           HB2      PRO   2 -10.604   5.393   8.266
   14    HB3  PRO   2           HB1      PRO   2 -12.207   4.821   7.779
   15    HG2  PRO   2           HG2      PRO   2  -9.541   3.444   7.474
   16    HG3  PRO   2           HG1      PRO   2 -11.079   2.774   8.054
   17    HD2  PRO   2           HD2      PRO   2 -10.153   2.506   5.455
   18    HD3  PRO   2           HD1      PRO   2 -11.869   2.414   5.910
   19    H    THR   3           HN       THR   3  -9.021   4.632   4.677
   20    HA   THR   3           HA       THR   3  -6.842   5.892   5.940
   21    HB   THR   3           HB       THR   3  -5.577   5.273   3.765
   22    HG1  THR   3           HG1      THR   3  -7.183   3.523   2.758
   23   HG21  THR   3          HG21      THR   3  -5.593   2.858   4.282
   24   HG22  THR   3          HG22      THR   3  -7.060   3.060   5.245
   25   HG23  THR   3          HG23      THR   3  -5.548   3.816   5.761
   26    H    LEU   4           HN       LEU   4  -8.534   6.740   2.859
   27    HA   LEU   4           HA       LEU   4  -6.928   8.811   1.984
   28    HB2  LEU   4           HB2      LEU   4  -9.945   8.514   1.749
   29    HB3  LEU   4           HB1      LEU   4  -9.008   9.691   0.838
   30    HG   LEU   4           HG       LEU   4  -8.718   6.665   0.607
   31   HD11  LEU   4          HD11      LEU   4  -9.755   6.915  -1.604
   32   HD12  LEU   4          HD12      LEU   4 -10.015   8.635  -1.302
   33   HD13  LEU   4          HD13      LEU   4 -10.849   7.427  -0.320
   34   HD21  LEU   4          HD21      LEU   4  -6.592   7.800   0.157
   35   HD22  LEU   4          HD22      LEU   4  -7.385   8.877  -0.996
   36   HD23  LEU   4          HD23      LEU   4  -7.273   7.147  -1.331
   37    H    ASP   5           HN       ASP   5  -9.696   8.984   4.198
   38    HA   ASP   5           HA       ASP   5  -9.861  11.732   4.670
   39    HB2  ASP   5           HB2      ASP   5 -10.412   9.464   6.638
   40    HB3  ASP   5           HB1      ASP   5 -11.012  11.121   6.784
   41    H    ALA   6           HN       ALA   6  -7.918   9.270   6.303
   42    HA   ALA   6           HA       ALA   6  -6.663  11.024   8.197
   43    HB1  ALA   6           HB1      ALA   6  -5.885   8.211   7.339
   44    HB2  ALA   6           HB2      ALA   6  -6.971   8.622   8.668
   45    HB3  ALA   6           HB3      ALA   6  -5.266   9.069   8.754
   46    H    LEU   7           HN       LEU   7  -5.936   9.957   4.940
   47    HA   LEU   7           HA       LEU   7  -3.156  10.706   4.952
   48    HB2  LEU   7           HB2      LEU   7  -5.021  10.058   2.636
   49    HB3  LEU   7           HB1      LEU   7  -3.297  10.331   2.469
   50    HG   LEU   7           HG       LEU   7  -4.550   8.019   4.003
   51   HD11  LEU   7          HD11      LEU   7  -3.231   8.008   1.269
   52   HD12  LEU   7          HD12      LEU   7  -4.954   7.807   1.595
   53   HD13  LEU   7          HD13      LEU   7  -3.808   6.589   2.152
   54   HD21  LEU   7          HD21      LEU   7  -2.271   7.088   4.084
   55   HD22  LEU   7          HD22      LEU   7  -2.376   8.623   4.940
   56   HD23  LEU   7          HD23      LEU   7  -1.639   8.560   3.336
   57    H    THR   8           HN       THR   8  -6.218  12.336   4.279
   58    HA   THR   8           HA       THR   8  -5.424  14.270   2.442
   59    HB   THR   8           HB       THR   8  -7.590  14.601   4.561
   60    HG1  THR   8           HG1      THR   8  -7.410  12.898   2.556
   61   HG21  THR   8          HG21      THR   8  -7.042  16.762   3.468
   62   HG22  THR   8          HG22      THR   8  -8.634  16.187   2.975
   63   HG23  THR   8          HG23      THR   8  -7.261  16.014   1.881
   64    HA   PRO   9           HA       PRO   9  -4.233  17.385   6.085
   65    HB2  PRO   9           HB2      PRO   9  -3.472  16.239   8.497
   66    HB3  PRO   9           HB1      PRO   9  -5.103  16.845   8.173
   67    HG2  PRO   9           HG2      PRO   9  -4.065  14.018   7.958
   68    HG3  PRO   9           HG1      PRO   9  -5.554  14.606   8.736
   69    HD2  PRO   9           HD2      PRO   9  -5.645  13.526   6.285
   70    HD3  PRO   9           HD1      PRO   9  -6.646  14.946   6.672
   71    H    ILE  10           HN       ILE  10  -2.772  14.189   5.658
   72    HA   ILE  10           HA       ILE  10  -0.050  14.930   6.194
   73    HB   ILE  10           HB       ILE  10  -1.006  12.646   4.405
   74   HG12  ILE  10          HG12      ILE  10  -1.984  12.419   6.666
   75   HG13  ILE  10          HG11      ILE  10  -0.805  11.153   6.365
   76   HG21  ILE  10          HG21      ILE  10   1.209  11.607   4.883
   77   HG22  ILE  10          HG22      ILE  10   1.688  13.062   5.754
   78   HG23  ILE  10          HG23      ILE  10   1.358  13.142   4.024
   79   HD11  ILE  10          HD11      ILE  10  -0.356  13.620   8.043
   80   HD12  ILE  10          HD12      ILE  10   0.819  12.335   7.753
   81   HD13  ILE  10          HD13      ILE  10  -0.665  11.991   8.640
   82    H    PHE  11           HN       PHE  11  -2.002  14.654   3.209
   83    HA   PHE  11           HA       PHE  11   0.044  15.357   1.357
   84    HB2  PHE  11           HB2      PHE  11  -2.992  15.298   1.185
   85    HB3  PHE  11           HB1      PHE  11  -2.012  15.844  -0.170
   86    HD1  PHE  11           HD1      PHE  11  -1.921  12.904   2.202
   87    HD2  PHE  11           HD2      PHE  11  -1.809  14.238  -1.848
   88    HE1  PHE  11           HE1      PHE  11  -1.720  10.577   1.444
   89    HE2  PHE  11           HE2      PHE  11  -1.600  11.909  -2.592
   90    HZ   PHE  11           HZ       PHE  11  -1.554  10.076  -0.959
   91    H    ARG  12           HN       ARG  12  -2.608  17.197   2.868
   92    HA   ARG  12           HA       ARG  12  -2.142  19.724   1.749
   93    HB2  ARG  12           HB2      ARG  12  -3.372  18.911   4.412
   94    HB3  ARG  12           HB1      ARG  12  -3.348  20.584   3.858
   95    HG2  ARG  12           HG2      ARG  12  -4.695  19.965   1.885
   96    HG3  ARG  12           HG1      ARG  12  -4.700  18.276   2.405
   97    HD2  ARG  12           HD2      ARG  12  -6.029  18.795   4.344
   98    HD3  ARG  12           HD1      ARG  12  -5.835  20.536   4.095
   99    HE   ARG  12           HE       ARG  12  -7.026  19.708   1.802
  100   HH11  ARG  12          HH11      ARG  12  -7.913  19.235   5.158
  101   HH12  ARG  12          HH12      ARG  12  -9.614  19.291   4.834
  102   HH21  ARG  12          HH21      ARG  12  -9.240  19.793   1.396
  103   HH22  ARG  12          HH22      ARG  12 -10.363  19.597   2.704
  104    H    GLN  13           HN       GLN  13  -0.643  18.124   4.532
  105    HA   GLN  13           HA       GLN  13   0.782  20.364   5.537
  106    HB2  GLN  13           HB2      GLN  13   0.296  18.438   6.947
  107    HB3  GLN  13           HB1      GLN  13   1.183  17.370   5.869
  108    HG2  GLN  13           HG2      GLN  13   3.299  18.473   6.495
  109    HG3  GLN  13           HG1      GLN  13   2.409  19.574   7.554
  110   HE21  GLN  13          HE21      GLN  13   3.355  16.230   7.062
  111   HE22  GLN  13          HE22      GLN  13   3.137  15.717   8.697
  112    H    VAL  14           HN       VAL  14   1.841  17.549   3.570
  113    HA   VAL  14           HA       VAL  14   4.512  18.214   3.186
  114    HB   VAL  14           HB       VAL  14   2.702  16.686   1.245
  115   HG11  VAL  14          HG11      VAL  14   4.817  15.694   0.347
  116   HG12  VAL  14          HG12      VAL  14   5.746  16.805   1.356
  117   HG13  VAL  14          HG13      VAL  14   4.718  17.433   0.067
  118   HG21  VAL  14          HG21      VAL  14   2.812  15.629   3.484
  119   HG22  VAL  14          HG22      VAL  14   4.571  15.608   3.399
  120   HG23  VAL  14          HG23      VAL  14   3.626  14.635   2.270
  121    H    PHE  15           HN       PHE  15   1.776  18.935   0.979
  122    HA   PHE  15           HA       PHE  15   3.472  20.518  -0.782
  123    HB2  PHE  15           HB2      PHE  15   0.501  19.899  -0.928
  124    HB3  PHE  15           HB1      PHE  15   1.411  20.757  -2.172
  125    HD1  PHE  15           HD1      PHE  15   3.444  19.518  -3.208
  126    HD2  PHE  15           HD2      PHE  15   0.359  17.528  -1.021
  127    HE1  PHE  15           HE1      PHE  15   4.084  17.384  -4.232
  128    HE2  PHE  15           HE2      PHE  15   1.007  15.402  -2.055
  129    HZ   PHE  15           HZ       PHE  15   2.876  15.327  -3.654
  130    H    ASP  16           HN       ASP  16   1.720  21.209   2.032
  131    HA   ASP  16           HA       ASP  16   1.718  23.123   3.253
  132    HB2  ASP  16           HB2      ASP  16   3.783  23.855   2.102
  133    HB3  ASP  16           HB1      ASP  16   2.838  24.490   0.763
  134    H    ASP  17           HN       ASP  17  -0.158  22.516   0.580
  135    HA   ASP  17           HA       ASP  17  -1.873  24.914   0.879
  136    HB2  ASP  17           HB2      ASP  17  -0.900  24.720  -1.358
  137    HB3  ASP  17           HB1      ASP  17  -1.463  23.054  -1.496
  138    H    ASP  18           HN       ASP  18  -3.914  24.673   1.500
  139    HA   ASP  18           HA       ASP  18  -4.800  22.100   2.504
  140    HB2  ASP  18           HB2      ASP  18  -6.480  23.340   3.733
  141    HB3  ASP  18           HB1      ASP  18  -4.931  24.157   3.903
  142    H    SER  19           HN       SER  19  -5.185  23.447  -0.501
  143    HA   SER  19           HA       SER  19  -8.029  23.100  -0.908
  144    HB2  SER  19           HB2      SER  19  -5.861  23.324  -3.043
  145    HB3  SER  19           HB1      SER  19  -7.594  23.606  -3.257
  146    HG   SER  19           HG       SER  19  -5.649  25.180  -1.995
  147    H    ILE  20           HN       ILE  20  -5.366  20.979  -0.784
  148    HA   ILE  20           HA       ILE  20  -6.047  19.026  -2.711
  149    HB   ILE  20           HB       ILE  20  -4.485  18.654  -0.114
  150   HG12  ILE  20          HG12      ILE  20  -3.463  19.326  -2.919
  151   HG13  ILE  20          HG11      ILE  20  -3.561  20.466  -1.580
  152   HG21  ILE  20          HG21      ILE  20  -3.441  16.699  -1.241
  153   HG22  ILE  20          HG22      ILE  20  -4.505  16.927  -2.629
  154   HG23  ILE  20          HG23      ILE  20  -5.184  16.482  -1.062
  155   HD11  ILE  20          HD11      ILE  20  -1.310  19.690  -1.901
  156   HD12  ILE  20          HD12      ILE  20  -1.819  18.015  -1.713
  157   HD13  ILE  20          HD13      ILE  20  -1.922  19.127  -0.344
  158    H    VAL  21           HN       VAL  21  -7.836  17.864  -2.744
  159    HA   VAL  21           HA       VAL  21  -9.034  16.768  -0.263
  160    HB   VAL  21           HB       VAL  21 -10.437  17.309  -2.939
  161   HG11  VAL  21          HG11      VAL  21 -11.618  16.368  -0.288
  162   HG12  VAL  21          HG12      VAL  21 -11.396  15.376  -1.731
  163   HG13  VAL  21          HG13      VAL  21 -12.529  16.726  -1.759
  164   HG21  VAL  21          HG21      VAL  21 -10.727  18.848  -0.327
  165   HG22  VAL  21          HG22      VAL  21 -11.674  19.113  -1.795
  166   HG23  VAL  21          HG23      VAL  21  -9.939  19.433  -1.791
  167    H    LEU  22           HN       LEU  22  -9.070  14.515  -0.214
  168    HA   LEU  22           HA       LEU  22  -7.836  13.160  -2.513
  169    HB2  LEU  22           HB2      LEU  22  -8.216  12.226   0.347
  170    HB3  LEU  22           HB1      LEU  22  -7.491  11.259  -0.934
  171    HG   LEU  22           HG       LEU  22  -6.370  13.784   0.337
  172   HD11  LEU  22          HD11      LEU  22  -4.466  12.335   0.867
  173   HD12  LEU  22          HD12      LEU  22  -5.291  10.965   0.118
  174   HD13  LEU  22          HD13      LEU  22  -5.967  11.727   1.561
  175   HD21  LEU  22          HD21      LEU  22  -5.974  14.005  -2.073
  176   HD22  LEU  22          HD22      LEU  22  -5.307  12.372  -2.146
  177   HD23  LEU  22          HD23      LEU  22  -4.467  13.635  -1.242
  178    H    THR  23           HN       THR  23  -8.721  11.642  -3.596
  179    HA   THR  23           HA       THR  23 -11.138  10.206  -2.788
  180    HB   THR  23           HB       THR  23 -11.892  10.212  -5.206
  181    HG1  THR  23           HG1      THR  23  -9.943  12.270  -5.490
  182   HG21  THR  23          HG21      THR  23 -12.895  12.466  -5.250
  183   HG22  THR  23          HG22      THR  23 -11.791  12.989  -3.977
  184   HG23  THR  23          HG23      THR  23 -13.008  11.756  -3.639
  185    H    ARG  24           HN       ARG  24 -11.233   8.253  -4.489
  186    HA   ARG  24           HA       ARG  24  -8.923   6.691  -4.153
  187    HB2  ARG  24           HB2      ARG  24 -11.236   6.335  -6.104
  188    HB3  ARG  24           HB1      ARG  24 -10.019   5.105  -5.766
  189    HG2  ARG  24           HG2      ARG  24 -10.727   4.977  -3.436
  190    HG3  ARG  24           HG1      ARG  24 -11.884   6.286  -3.689
  191    HD2  ARG  24           HD2      ARG  24 -13.136   4.865  -5.281
  192    HD3  ARG  24           HD1      ARG  24 -11.968   3.557  -5.020
  193    HE   ARG  24           HE       ARG  24 -13.301   4.594  -2.645
  194   HH11  ARG  24          HH11      ARG  24 -13.339   2.108  -5.123
  195   HH12  ARG  24          HH12      ARG  24 -14.234   0.993  -4.142
  196   HH21  ARG  24          HH21      ARG  24 -14.466   3.125  -1.394
  197   HH22  ARG  24          HH22      ARG  24 -14.905   1.583  -2.053
  198    H    GLU  25           HN       GLU  25 -10.064   8.519  -7.027
  199    HA   GLU  25           HA       GLU  25  -7.876   7.438  -8.654
  200    HB2  GLU  25           HB2      GLU  25  -9.123   8.592 -10.529
  201    HB3  GLU  25           HB1      GLU  25 -10.038   7.347  -9.686
  202    HG2  GLU  25           HG2      GLU  25 -11.177   9.157  -8.366
  203    HG3  GLU  25           HG1      GLU  25 -10.343  10.351  -9.364
  204    H    THR  26           HN       THR  26  -8.126  10.010  -6.554
  205    HA   THR  26           HA       THR  26  -6.812  12.144  -7.692
  206    HB   THR  26           HB       THR  26  -6.395  10.898  -4.938
  207    HG1  THR  26           HG1      THR  26  -7.767  13.306  -5.389
  208   HG21  THR  26          HG21      THR  26  -5.549  13.691  -5.827
  209   HG22  THR  26          HG22      THR  26  -4.449  12.367  -5.441
  210   HG23  THR  26          HG23      THR  26  -5.474  13.062  -4.186
  211    H    SER  27           HN       SER  27  -4.839  12.445  -8.623
  212    HA   SER  27           HA       SER  27  -2.620  10.580  -8.142
  213    HB2  SER  27           HB2      SER  27  -3.600  11.278 -10.956
  214    HB3  SER  27           HB1      SER  27  -2.222  10.255 -10.553
  215    HG   SER  27           HG       SER  27  -4.902   9.711  -9.800
  216    H    ALA  28           HN       ALA  28  -0.590  11.407  -8.932
  217    HA   ALA  28           HA       ALA  28  -0.006  14.046  -8.275
  218    HB1  ALA  28           HB1      ALA  28   1.580  12.186  -8.153
  219    HB2  ALA  28           HB2      ALA  28   2.245  13.520  -9.097
  220    HB3  ALA  28           HB3      ALA  28   1.619  12.084  -9.915
  221    H    ASN  29           HN       ASN  29  -1.082  12.772 -11.310
  222    HA   ASN  29           HA       ASN  29  -0.001  14.587 -13.172
  223    HB2  ASN  29           HB2      ASN  29  -1.256  12.355 -13.554
  224    HB3  ASN  29           HB1      ASN  29  -2.741  13.259 -13.350
  225   HD21  ASN  29          HD21      ASN  29  -1.824  15.623 -14.926
  226   HD22  ASN  29          HD22      ASN  29  -1.776  15.098 -16.557
  227    H    ASP  30           HN       ASP  30  -2.780  14.785 -11.022
  228    HA   ASP  30           HA       ASP  30  -3.970  17.144 -12.231
  229    HB2  ASP  30           HB2      ASP  30  -5.364  15.383 -11.207
  230    HB3  ASP  30           HB1      ASP  30  -4.585  15.651  -9.654
  231    H    ILE  31           HN       ILE  31  -1.396  16.664 -10.054
  232    HA   ILE  31           HA       ILE  31  -1.667  19.378  -8.860
  233    HB   ILE  31           HB       ILE  31  -0.389  16.911  -7.565
  234   HG12  ILE  31          HG12      ILE  31  -2.925  18.467  -6.838
  235   HG13  ILE  31          HG11      ILE  31  -2.852  16.818  -7.447
  236   HG21  ILE  31          HG21      ILE  31   0.040  18.340  -5.584
  237   HG22  ILE  31          HG22      ILE  31  -0.568  19.748  -6.459
  238   HG23  ILE  31          HG23      ILE  31   0.903  18.934  -7.000
  239   HD11  ILE  31          HD11      ILE  31  -1.861  17.767  -4.754
  240   HD12  ILE  31          HD12      ILE  31  -1.778  16.109  -5.356
  241   HD13  ILE  31          HD13      ILE  31  -3.343  16.867  -5.081
  242    H    ASP  32           HN       ASP  32  -0.325  20.626  -9.985
  243    HA   ASP  32           HA       ASP  32   1.837  19.753 -11.596
  244    HB2  ASP  32           HB2      ASP  32   0.572  21.843 -12.073
  245    HB3  ASP  32           HB1      ASP  32   1.229  22.583 -10.617
  246    H    ALA  33           HN       ALA  33   1.709  21.173  -8.367
  247    HA   ALA  33           HA       ALA  33   4.478  21.639  -7.975
  248    HB1  ALA  33           HB1      ALA  33   3.876  21.926  -5.610
  249    HB2  ALA  33           HB2      ALA  33   2.298  21.194  -5.911
  250    HB3  ALA  33           HB3      ALA  33   2.710  22.740  -6.657
  251    H    TRP  34           HN       TRP  34   2.756  18.676  -8.056
  252    HA   TRP  34           HA       TRP  34   4.318  17.172  -6.170
  253    HB2  TRP  34           HB2      TRP  34   1.882  16.740  -7.084
  254    HB3  TRP  34           HB1      TRP  34   2.680  15.972  -8.441
  255    HD1  TRP  34           HD1      TRP  34   4.881  14.251  -6.933
  256    HE1  TRP  34           HE1      TRP  34   4.156  12.277  -5.474
  257    HE3  TRP  34           HE3      TRP  34   0.025  15.574  -6.048
  258    HZ2  TRP  34           HZ2      TRP  34   1.898  11.376  -4.129
  259    HZ3  TRP  34           HZ3      TRP  34  -1.360  14.076  -4.676
  260    HH2  TRP  34           HH2      TRP  34  -0.437  12.016  -3.745
  261    H    ASP  35           HN       ASP  35   6.377  16.563  -6.541
  262    HA   ASP  35           HA       ASP  35   7.347  15.783  -9.235
  263    HB2  ASP  35           HB2      ASP  35   8.819  17.114  -6.911
  264    HB3  ASP  35           HB1      ASP  35   9.676  16.311  -8.225
  265    H    SER  36           HN       SER  36   9.611  14.400  -8.609
  266    HA   SER  36           HA       SER  36   8.693  11.893  -7.658
  267    HB2  SER  36           HB2      SER  36  11.488  12.931  -8.302
  268    HB3  SER  36           HB1      SER  36  11.138  11.257  -7.916
  269    H    LEU  37           HN       LEU  37  10.869  14.375  -6.415
  270    HA   LEU  37           HA       LEU  37  11.562  13.136  -3.967
  271    HB2  LEU  37           HB2      LEU  37  12.704  15.082  -5.258
  272    HB3  LEU  37           HB1      LEU  37  11.548  16.133  -4.475
  273    HG   LEU  37           HG       LEU  37  13.868  16.064  -3.448
  274   HD11  LEU  37          HD11      LEU  37  11.633  15.336  -1.547
  275   HD12  LEU  37          HD12      LEU  37  12.016  16.949  -2.148
  276   HD13  LEU  37          HD13      LEU  37  13.167  16.104  -1.117
  277   HD21  LEU  37          HD21      LEU  37  14.510  14.186  -2.021
  278   HD22  LEU  37          HD22      LEU  37  14.316  13.671  -3.694
  279   HD23  LEU  37          HD23      LEU  37  13.063  13.296  -2.509
  280    H    SER  38           HN       SER  38   8.875  15.200  -4.946
  281    HA   SER  38           HA       SER  38   7.772  15.729  -2.359
  282    HB2  SER  38           HB2      SER  38   6.323  15.629  -5.039
  283    HB3  SER  38           HB1      SER  38   5.762  16.429  -3.568
  284    HG   SER  38           HG       SER  38   7.440  17.885  -3.762
  285    H    HIS  39           HN       HIS  39   7.229  13.264  -4.837
  286    HA   HIS  39           HA       HIS  39   5.116  11.849  -3.648
  287    HB2  HIS  39           HB2      HIS  39   6.063  11.666  -6.067
  288    HB3  HIS  39           HB1      HIS  39   7.238  10.534  -5.403
  289    HD2  HIS  39           HD2      HIS  39   6.302   8.096  -6.159
  290    HE1  HIS  39           HE1      HIS  39   2.218   8.805  -5.366
  291    HE2  HIS  39           HE2      HIS  39   3.905   7.156  -6.262
  292    H    MET  40           HN       MET  40   8.599  11.541  -3.347
  293    HA   MET  40           HA       MET  40   8.578   9.289  -1.571
  294    HB2  MET  40           HB2      MET  40  10.742  11.313  -2.258
  295    HB3  MET  40           HB1      MET  40  11.004   9.921  -1.208
  296    HG2  MET  40           HG2      MET  40  10.169   9.796  -4.117
  297    HG3  MET  40           HG1      MET  40  11.793   9.496  -3.488
  298    HE1  MET  40           HE1      MET  40  11.191   7.811  -0.797
  299    HE2  MET  40           HE2      MET  40  12.431   7.350  -1.966
  300    HE3  MET  40           HE3      MET  40  11.236   6.167  -1.426
  301    H    ASN  41           HN       ASN  41   8.498  12.815  -1.149
  302    HA   ASN  41           HA       ASN  41   8.887  12.926   1.655
  303    HB2  ASN  41           HB2      ASN  41   7.388  14.789  -0.229
  304    HB3  ASN  41           HB1      ASN  41   7.458  15.098   1.501
  305   HD21  ASN  41          HD21      ASN  41   8.466  16.681  -0.717
  306   HD22  ASN  41          HD22      ASN  41  10.147  16.913  -0.406
  307    H    LEU  42           HN       LEU  42   6.034  12.287  -0.337
  308    HA   LEU  42           HA       LEU  42   4.082  12.188   1.697
  309    HB2  LEU  42           HB2      LEU  42   4.287  11.171  -1.113
  310    HB3  LEU  42           HB1      LEU  42   3.128  10.325  -0.110
  311    HG   LEU  42           HG       LEU  42   2.057  12.122  -1.412
  312   HD11  LEU  42          HD11      LEU  42   2.098  12.684   1.571
  313   HD12  LEU  42          HD12      LEU  42   1.100  11.481   0.744
  314   HD13  LEU  42          HD13      LEU  42   0.857  13.194   0.423
  315   HD21  LEU  42          HD21      LEU  42   3.966  13.651  -1.555
  316   HD22  LEU  42          HD22      LEU  42   3.825  13.995   0.174
  317   HD23  LEU  42          HD23      LEU  42   2.533  14.462  -0.934
  318    H    ILE  43           HN       ILE  43   5.975   9.577   0.202
  319    HA   ILE  43           HA       ILE  43   4.852   7.487   1.688
  320    HB   ILE  43           HB       ILE  43   7.262   7.777  -0.081
  321   HG12  ILE  43          HG12      ILE  43   6.171   5.895  -1.313
  322   HG13  ILE  43          HG11      ILE  43   4.936   5.788  -0.071
  323   HG21  ILE  43          HG21      ILE  43   8.018   5.448   0.282
  324   HG22  ILE  43          HG22      ILE  43   6.915   5.311   1.655
  325   HG23  ILE  43          HG23      ILE  43   8.261   6.452   1.711
  326   HD11  ILE  43          HD11      ILE  43   5.386   8.083  -1.975
  327   HD12  ILE  43          HD12      ILE  43   4.164   8.049  -0.699
  328   HD13  ILE  43          HD13      ILE  43   4.089   6.892  -2.027
  329    H    VAL  44           HN       VAL  44   7.850   9.385   2.330
  330    HA   VAL  44           HA       VAL  44   8.602   7.859   4.613
  331    HB   VAL  44           HB       VAL  44  10.245   9.588   5.096
  332   HG11  VAL  44          HG11      VAL  44  11.529   9.497   2.975
  333   HG12  VAL  44          HG12      VAL  44  10.079   8.955   2.130
  334   HG13  VAL  44          HG13      VAL  44  10.798   7.937   3.379
  335   HG21  VAL  44          HG21      VAL  44   8.961  11.258   2.902
  336   HG22  VAL  44          HG22      VAL  44  10.467  11.647   3.737
  337   HG23  VAL  44          HG23      VAL  44   8.946  11.625   4.628
  338    H    SER  45           HN       SER  45   6.566  10.723   4.203
  339    HA   SER  45           HA       SER  45   6.120  11.295   6.953
  340    HB2  SER  45           HB2      SER  45   4.313  11.731   4.536
  341    HB3  SER  45           HB1      SER  45   3.975  12.365   6.149
  342    HG   SER  45           HG       SER  45   6.380  12.902   4.747
  343    H    LEU  46           HN       LEU  46   4.607   9.006   4.693
  344    HA   LEU  46           HA       LEU  46   2.552   8.133   6.493
  345    HB2  LEU  46           HB2      LEU  46   3.637   6.683   4.048
  346    HB3  LEU  46           HB1      LEU  46   2.104   6.374   4.851
  347    HG   LEU  46           HG       LEU  46   2.850   8.829   3.193
  348   HD11  LEU  46          HD11      LEU  46   2.235   6.880   1.875
  349   HD12  LEU  46          HD12      LEU  46   1.018   8.146   1.737
  350   HD13  LEU  46          HD13      LEU  46   0.710   6.731   2.750
  351   HD21  LEU  46          HD21      LEU  46   0.303   8.421   4.800
  352   HD22  LEU  46          HD22      LEU  46   0.608   9.720   3.639
  353   HD23  LEU  46          HD23      LEU  46   1.568   9.614   5.109
  354    H    GLU  47           HN       GLU  47   5.862   7.156   5.843
  355    HA   GLU  47           HA       GLU  47   5.962   4.632   7.097
  356    HB2  GLU  47           HB2      GLU  47   8.182   6.715   6.835
  357    HB3  GLU  47           HB1      GLU  47   8.436   5.040   7.311
  358    HG2  GLU  47           HG2      GLU  47   7.354   5.941   4.640
  359    HG3  GLU  47           HG1      GLU  47   9.030   5.519   4.956
  360    H    VAL  48           HN       VAL  48   6.914   7.842   8.350
  361    HA   VAL  48           HA       VAL  48   7.436   6.909  10.983
  362    HB   VAL  48           HB       VAL  48   7.669   9.319  11.589
  363   HG11  VAL  48          HG11      VAL  48   9.609   9.795  10.125
  364   HG12  VAL  48          HG12      VAL  48   9.078   8.529   9.013
  365   HG13  VAL  48          HG13      VAL  48   9.585   8.109  10.650
  366   HG21  VAL  48          HG21      VAL  48   7.479  11.083   9.853
  367   HG22  VAL  48          HG22      VAL  48   5.919  10.314  10.155
  368   HG23  VAL  48          HG23      VAL  48   6.845   9.896   8.712
  369    H    HIS  49           HN       HIS  49   4.615   8.543   9.548
  370    HA   HIS  49           HA       HIS  49   3.233   9.039  11.977
  371    HB2  HIS  49           HB2      HIS  49   2.441   9.105   9.058
  372    HB3  HIS  49           HB1      HIS  49   1.189   9.232  10.281
  373    HD1  HIS  49           HD1      HIS  49   0.749  11.504  11.191
  374    HD2  HIS  49           HD2      HIS  49   4.429  11.298   9.293
  375    HE1  HIS  49           HE1      HIS  49   1.602  13.861  11.130
  376    HE2  HIS  49           HE2      HIS  49   3.887  13.690  10.092
  377    H    TYR  50           HN       TYR  50   2.732   6.481   9.503
  378    HA   TYR  50           HA       TYR  50   0.761   5.148  11.246
  379    HB2  TYR  50           HB2      TYR  50   1.551   4.569   8.364
  380    HB3  TYR  50           HB1      TYR  50   0.258   3.765   9.246
  381    HD1  TYR  50           HD1      TYR  50  -1.760   5.161  10.022
  382    HD2  TYR  50           HD2      TYR  50   1.132   6.673   7.257
  383    HE1  TYR  50           HE1      TYR  50  -3.341   6.914   9.323
  384    HE2  TYR  50           HE2      TYR  50  -0.457   8.415   6.560
  385    HH   TYR  50           HH       TYR  50  -2.909   8.788   6.548
  386    H    LYS  51           HN       LYS  51   4.044   5.041  10.854
  387    HA   LYS  51           HA       LYS  51   5.727   3.691  11.442
  388    HB2  LYS  51           HB2      LYS  51   3.557   2.229  12.986
  389    HB3  LYS  51           HB1      LYS  51   5.244   1.753  13.069
  390    HG2  LYS  51           HG2      LYS  51   4.785   3.067  15.009
  391    HG3  LYS  51           HG1      LYS  51   5.787   4.052  13.940
  392    HD2  LYS  51           HD2      LYS  51   3.775   5.293  13.198
  393    HD3  LYS  51           HD1      LYS  51   2.766   4.282  14.236
  394    HE2  LYS  51           HE2      LYS  51   3.193   6.462  15.281
  395    HE3  LYS  51           HE1      LYS  51   3.925   5.166  16.229
  396    HZ1  LYS  51           HZ1      LYS  51   5.360   6.931  14.316
  397    HZ2  LYS  51           HZ2      LYS  51   6.059   5.702  15.244
  398    HZ3  LYS  51           HZ3      LYS  51   5.399   7.056  16.002
  399    H    ILE  52           HN       ILE  52   4.384   3.207   8.911
  400    HA   ILE  52           HA       ILE  52   4.325   0.262   8.584
  401    HB   ILE  52           HB       ILE  52   3.098   0.702   6.466
  402   HG12  ILE  52          HG12      ILE  52   3.221   3.647   7.283
  403   HG13  ILE  52          HG11      ILE  52   4.011   2.936   5.881
  404   HG21  ILE  52          HG21      ILE  52   1.816   2.042   8.874
  405   HG22  ILE  52          HG22      ILE  52   1.833   0.311   8.541
  406   HG23  ILE  52          HG23      ILE  52   0.954   1.404   7.472
  407   HD11  ILE  52          HD11      ILE  52   2.040   4.159   5.223
  408   HD12  ILE  52          HD12      ILE  52   1.040   3.211   6.320
  409   HD13  ILE  52          HD13      ILE  52   1.792   2.434   4.926
  410    H    LYS  53           HN       LYS  53   4.876  -0.092   5.958
  411    HA   LYS  53           HA       LYS  53   7.565   1.006   5.482
  412    HB2  LYS  53           HB2      LYS  53   8.016  -0.956   6.814
  413    HB3  LYS  53           HB1      LYS  53   6.881  -1.933   5.903
  414    HG2  LYS  53           HG2      LYS  53   9.256  -0.810   4.436
  415    HG3  LYS  53           HG1      LYS  53   9.541  -2.127   5.571
  416    HD2  LYS  53           HD2      LYS  53   7.968  -3.561   4.340
  417    HD3  LYS  53           HD1      LYS  53   7.576  -2.237   3.246
  418    HE2  LYS  53           HE2      LYS  53   9.921  -2.240   2.435
  419    HE3  LYS  53           HE1      LYS  53  10.274  -3.611   3.492
  420    HZ1  LYS  53           HZ1      LYS  53   8.258  -3.589   1.307
  421    HZ2  LYS  53           HZ2      LYS  53   8.636  -4.909   2.292
  422    HZ3  LYS  53           HZ3      LYS  53   9.793  -4.305   1.216
  423    H    PHE  54           HN       PHE  54   7.248   1.910   3.486
  424    HA   PHE  54           HA       PHE  54   6.268   0.202   1.280
  425    HB2  PHE  54           HB2      PHE  54   7.055   3.168   1.243
  426    HB3  PHE  54           HB1      PHE  54   6.521   2.246  -0.152
  427    HD1  PHE  54           HD2      PHE  54   4.144   1.450  -0.308
  428    HD2  PHE  54           HD1      PHE  54   5.437   4.075   2.814
  429    HE1  PHE  54           HE2      PHE  54   1.819   2.094   0.138
  430    HE2  PHE  54           HE1      PHE  54   3.099   4.701   3.247
  431    HZ   PHE  54           HZ       PHE  54   1.289   3.709   1.904
  432    H    ALA  55           HN       ALA  55   7.681  -0.696  -0.079
  433    HA   ALA  55           HA       ALA  55  10.550   0.067  -0.072
  434    HB1  ALA  55           HB1      ALA  55  10.912  -2.077  -1.232
  435    HB2  ALA  55           HB2      ALA  55   9.177  -2.407  -1.198
  436    HB3  ALA  55           HB3      ALA  55  10.091  -2.328   0.309
  437    H    LEU  56           HN       LEU  56  11.526   0.005  -2.383
  438    HA   LEU  56           HA       LEU  56  10.265   1.887  -4.049
  439    HB2  LEU  56           HB2      LEU  56  12.766   1.272  -3.897
  440    HB3  LEU  56           HB1      LEU  56  12.419  -0.081  -4.949
  441    HG   LEU  56           HG       LEU  56  13.473   1.964  -6.052
  442   HD11  LEU  56          HD11      LEU  56  10.834   1.099  -7.258
  443   HD12  LEU  56          HD12      LEU  56  12.382   0.272  -7.429
  444   HD13  LEU  56          HD13      LEU  56  12.170   1.881  -8.111
  445   HD21  LEU  56          HD21      LEU  56  10.744   3.226  -5.659
  446   HD22  LEU  56          HD22      LEU  56  12.089   3.899  -6.587
  447   HD23  LEU  56          HD23      LEU  56  12.237   3.700  -4.843
  448    H    GLY  57           HN       GLY  57  10.253  -1.667  -4.175
  449    HA2  GLY  57           HA2      GLY  57   8.879  -2.058  -6.620
  450    HA3  GLY  57           HA1      GLY  57   8.890  -3.169  -5.258
  451    H    GLU  58           HN       GLU  58   7.750  -1.415  -3.346
  452    HA   GLU  58           HA       GLU  58   4.939  -1.650  -3.931
  453    HB2  GLU  58           HB2      GLU  58   6.285  -0.417  -1.490
  454    HB3  GLU  58           HB1      GLU  58   4.578  -0.865  -1.626
  455    HG2  GLU  58           HG2      GLU  58   5.307  -3.244  -1.999
  456    HG3  GLU  58           HG1      GLU  58   6.965  -2.743  -1.668
  457    H    LEU  59           HN       LEU  59   7.310   0.893  -4.025
  458    HA   LEU  59           HA       LEU  59   5.577   3.141  -4.264
  459    HB2  LEU  59           HB2      LEU  59   8.477   2.574  -4.842
  460    HB3  LEU  59           HB1      LEU  59   7.788   3.937  -5.682
  461    HG   LEU  59           HG       LEU  59   9.066   4.369  -3.450
  462   HD11  LEU  59          HD11      LEU  59   7.831   6.101  -4.613
  463   HD12  LEU  59          HD12      LEU  59   7.618   6.248  -2.868
  464   HD13  LEU  59          HD13      LEU  59   6.323   5.572  -3.861
  465   HD21  LEU  59          HD21      LEU  59   6.395   3.538  -2.256
  466   HD22  LEU  59          HD22      LEU  59   7.768   4.248  -1.396
  467   HD23  LEU  59          HD23      LEU  59   7.912   2.643  -2.101
  468    H    GLN  60           HN       GLN  60   6.992   0.840  -6.582
  469    HA   GLN  60           HA       GLN  60   5.890   2.018  -8.938
  470    HB2  GLN  60           HB2      GLN  60   6.788  -0.852  -8.481
  471    HB3  GLN  60           HB1      GLN  60   6.527  -0.096 -10.049
  472    HG2  GLN  60           HG2      GLN  60   8.636   0.759  -8.039
  473    HG3  GLN  60           HG1      GLN  60   8.927  -0.300  -9.413
  474   HE21  GLN  60          HE21      GLN  60  10.505   1.141 -10.204
  475   HE22  GLN  60          HE22      GLN  60  10.093   2.637 -10.960
  476    H    LYS  61           HN       LYS  61   4.547  -0.026  -6.482
  477    HA   LYS  61           HA       LYS  61   2.178  -0.856  -7.903
  478    HB2  LYS  61           HB2      LYS  61   2.838  -0.721  -4.934
  479    HB3  LYS  61           HB1      LYS  61   1.332  -1.385  -5.554
  480    HG2  LYS  61           HG2      LYS  61   4.081  -2.466  -6.271
  481    HG3  LYS  61           HG1      LYS  61   3.099  -3.090  -4.942
  482    HD2  LYS  61           HD2      LYS  61   2.278  -3.060  -7.881
  483    HD3  LYS  61           HD1      LYS  61   2.896  -4.465  -7.006
  484    HE2  LYS  61           HE2      LYS  61   0.941  -4.320  -5.460
  485    HE3  LYS  61           HE1      LYS  61   0.316  -2.970  -6.409
  486    HZ1  LYS  61           HZ1      LYS  61   0.764  -5.727  -7.404
  487    HZ2  LYS  61           HZ2      LYS  61   0.157  -4.436  -8.312
  488    HZ3  LYS  61           HZ3      LYS  61  -0.732  -5.041  -7.010
  489    H    LEU  62           HN       LEU  62   3.185   2.075  -6.306
  490    HA   LEU  62           HA       LEU  62   0.492   3.079  -5.796
  491    HB2  LEU  62           HB2      LEU  62   3.156   4.531  -5.535
  492    HB3  LEU  62           HB1      LEU  62   1.613   5.053  -4.870
  493    HG   LEU  62           HG       LEU  62   3.149   2.579  -4.008
  494   HD11  LEU  62          HD11      LEU  62   2.845   5.228  -2.586
  495   HD12  LEU  62          HD12      LEU  62   4.317   4.584  -3.319
  496   HD13  LEU  62          HD13      LEU  62   3.608   3.779  -1.922
  497   HD21  LEU  62          HD21      LEU  62   0.753   2.229  -3.734
  498   HD22  LEU  62          HD22      LEU  62   0.598   3.753  -2.854
  499   HD23  LEU  62          HD23      LEU  62   1.525   2.419  -2.162
  500    H    LYS  63           HN       LYS  63  -0.279   3.014  -7.952
  501    HA   LYS  63           HA       LYS  63   0.862   4.774 -10.000
  502    HB2  LYS  63           HB2      LYS  63  -0.060   2.434 -10.447
  503    HB3  LYS  63           HB1      LYS  63  -1.664   3.045 -10.089
  504    HG2  LYS  63           HG2      LYS  63  -0.031   4.339 -12.278
  505    HG3  LYS  63           HG1      LYS  63  -0.814   2.794 -12.590
  506    HD2  LYS  63           HD2      LYS  63  -2.239   5.334 -11.704
  507    HD3  LYS  63           HD1      LYS  63  -2.161   4.735 -13.363
  508    HE2  LYS  63           HE2      LYS  63  -3.371   2.676 -12.653
  509    HE3  LYS  63           HE1      LYS  63  -3.469   3.317 -11.009
  510    HZ1  LYS  63           HZ1      LYS  63  -4.717   4.450 -13.446
  511    HZ2  LYS  63           HZ2      LYS  63  -4.711   5.216 -11.941
  512    HZ3  LYS  63           HZ3      LYS  63  -5.507   3.739 -12.130
  513    H    ASN  64           HN       ASN  64  -1.712   4.714  -7.632
  514    HA   ASN  64           HA       ASN  64  -1.984   7.579  -7.862
  515    HB2  ASN  64           HB2      ASN  64  -4.385   7.691  -8.149
  516    HB3  ASN  64           HB1      ASN  64  -3.729   6.742  -9.469
  517   HD21  ASN  64          HD21      ASN  64  -3.526   4.286  -7.803
  518   HD22  ASN  64          HD22      ASN  64  -5.141   3.724  -7.628
  519    H    VAL  65           HN       VAL  65  -3.690   8.324  -6.128
  520    HA   VAL  65           HA       VAL  65  -2.719   7.509  -3.576
  521    HB   VAL  65           HB       VAL  65  -5.032   9.377  -4.266
  522   HG11  VAL  65          HG11      VAL  65  -4.709  10.365  -2.009
  523   HG12  VAL  65          HG12      VAL  65  -3.504   9.127  -1.648
  524   HG13  VAL  65          HG13      VAL  65  -5.183   8.666  -1.914
  525   HG21  VAL  65          HG21      VAL  65  -2.911  10.108  -5.286
  526   HG22  VAL  65          HG22      VAL  65  -2.105  10.013  -3.719
  527   HG23  VAL  65          HG23      VAL  65  -3.379  11.204  -3.981
  528    H    GLY  66           HN       GLY  66  -5.361   6.407  -5.509
  529    HA2  GLY  66           HA2      GLY  66  -6.910   5.063  -3.533
  530    HA3  GLY  66           HA1      GLY  66  -6.798   4.636  -5.235
  531    H    ASP  67           HN       ASP  67  -3.869   4.306  -5.143
  532    HA   ASP  67           HA       ASP  67  -3.679   1.634  -4.063
  533    HB2  ASP  67           HB2      ASP  67  -1.544   3.400  -5.326
  534    HB3  ASP  67           HB1      ASP  67  -1.302   1.720  -4.851
  535    H    LEU  68           HN       LEU  68  -2.546   4.893  -3.050
  536    HA   LEU  68           HA       LEU  68  -1.181   3.970  -0.732
  537    HB2  LEU  68           HB2      LEU  68  -2.482   6.641  -1.369
  538    HB3  LEU  68           HB1      LEU  68  -1.831   6.327   0.224
  539    HG   LEU  68           HG       LEU  68  -0.156   7.546  -0.903
  540   HD11  LEU  68          HD11      LEU  68   0.689   4.653  -1.023
  541   HD12  LEU  68          HD12      LEU  68   0.734   5.706   0.391
  542   HD13  LEU  68          HD13      LEU  68   1.767   6.051  -0.995
  543   HD21  LEU  68          HD21      LEU  68  -0.944   7.326  -3.215
  544   HD22  LEU  68          HD22      LEU  68  -0.380   5.654  -3.271
  545   HD23  LEU  68          HD23      LEU  68   0.780   6.978  -3.120
  546    H    ALA  69           HN       ALA  69  -4.587   4.626  -1.425
  547    HA   ALA  69           HA       ALA  69  -5.640   4.325   1.177
  548    HB1  ALA  69           HB1      ALA  69  -7.789   3.873   0.063
  549    HB2  ALA  69           HB2      ALA  69  -6.958   3.654  -1.480
  550    HB3  ALA  69           HB3      ALA  69  -6.962   5.234  -0.700
  551    H    ASP  70           HN       ASP  70  -5.007   2.006  -1.442
  552    HA   ASP  70           HA       ASP  70  -5.911  -0.357  -0.208
  553    HB2  ASP  70           HB2      ASP  70  -5.511  -0.252  -2.631
  554    HB3  ASP  70           HB1      ASP  70  -3.802   0.074  -2.379
  555    H    LEU  71           HN       LEU  71  -2.557   0.848  -0.568
  556    HA   LEU  71           HA       LEU  71  -1.365  -1.322   0.751
  557    HB2  LEU  71           HB2      LEU  71  -0.336   1.331  -0.205
  558    HB3  LEU  71           HB1      LEU  71   0.638   0.485   0.970
  559    HG   LEU  71           HG       LEU  71   1.557  -0.025  -1.159
  560   HD11  LEU  71          HD11      LEU  71  -0.055  -2.456  -0.321
  561   HD12  LEU  71          HD12      LEU  71   1.480  -1.931   0.375
  562   HD13  LEU  71          HD13      LEU  71   1.414  -2.448  -1.305
  563   HD21  LEU  71          HD21      LEU  71   0.303  -0.975  -3.038
  564   HD22  LEU  71          HD22      LEU  71  -0.301   0.614  -2.581
  565   HD23  LEU  71          HD23      LEU  71  -1.201  -0.834  -2.120
  566    H    VAL  72           HN       VAL  72  -1.906   2.057   1.902
  567    HA   VAL  72           HA       VAL  72  -0.829   1.707   4.460
  568    HB   VAL  72           HB       VAL  72  -3.032   3.658   3.640
  569   HG11  VAL  72          HG11      VAL  72  -2.326   5.026   5.598
  570   HG12  VAL  72          HG12      VAL  72  -1.211   3.748   6.086
  571   HG13  VAL  72          HG13      VAL  72  -2.949   3.450   6.092
  572   HG21  VAL  72          HG21      VAL  72  -0.011   4.099   3.739
  573   HG22  VAL  72          HG22      VAL  72  -1.214   5.339   3.365
  574   HG23  VAL  72          HG23      VAL  72  -0.991   3.971   2.277
  575    H    ASP  73           HN       ASP  73  -4.155   1.099   3.257
  576    HA   ASP  73           HA       ASP  73  -5.398   0.460   5.727
  577    HB2  ASP  73           HB2      ASP  73  -6.663   0.846   3.631
  578    HB3  ASP  73           HB1      ASP  73  -5.989  -0.626   2.941
  579    H    LYS  74           HN       LYS  74  -3.737  -1.545   3.380
  580    HA   LYS  74           HA       LYS  74  -4.244  -4.077   4.599
  581    HB2  LYS  74           HB2      LYS  74  -1.978  -3.407   2.678
  582    HB3  LYS  74           HB1      LYS  74  -2.534  -5.028   3.096
  583    HG2  LYS  74           HG2      LYS  74  -4.004  -2.919   1.492
  584    HG3  LYS  74           HG1      LYS  74  -3.425  -4.489   0.940
  585    HD2  LYS  74           HD2      LYS  74  -5.102  -5.629   2.316
  586    HD3  LYS  74           HD1      LYS  74  -5.622  -4.093   3.017
  587    HE2  LYS  74           HE2      LYS  74  -6.364  -3.351   0.750
  588    HE3  LYS  74           HE1      LYS  74  -5.920  -4.937   0.112
  589    HZ1  LYS  74           HZ1      LYS  74  -7.539  -5.953   1.548
  590    HZ2  LYS  74           HZ2      LYS  74  -8.287  -4.748   0.626
  591    HZ3  LYS  74           HZ3      LYS  74  -7.919  -4.464   2.251
  592    H    LYS  75           HN       LYS  75  -1.699  -1.717   4.965
  593    HA   LYS  75           HA       LYS  75   0.083  -3.366   6.497
  594    HB2  LYS  75           HB2      LYS  75  -0.020  -0.372   5.971
  595    HB3  LYS  75           HB1      LYS  75   1.310  -1.191   6.794
  596    HG2  LYS  75           HG2      LYS  75   1.832  -2.474   4.813
  597    HG3  LYS  75           HG1      LYS  75   0.407  -1.854   3.977
  598    HD2  LYS  75           HD2      LYS  75   1.390   0.419   3.982
  599    HD3  LYS  75           HD1      LYS  75   2.807  -0.193   4.848
  600    HE2  LYS  75           HE2      LYS  75   1.923  -0.962   2.040
  601    HE3  LYS  75           HE1      LYS  75   3.337  -0.002   2.484
  602    HZ1  LYS  75           HZ1      LYS  75   4.035  -2.211   2.039
  603    HZ2  LYS  75           HZ2      LYS  75   2.884  -2.870   3.082
  604    HZ3  LYS  75           HZ3      LYS  75   4.168  -1.961   3.704
  605    H    LEU  76           HN       LEU  76  -2.343  -0.873   7.207
  606    HA   LEU  76           HA       LEU  76  -1.928  -0.820  10.044
  607    HB2  LEU  76           HB2      LEU  76  -4.297   0.096   8.379
  608    HB3  LEU  76           HB1      LEU  76  -4.144   0.372  10.111
  609    HG   LEU  76           HG       LEU  76  -2.346   1.519   7.938
  610   HD11  LEU  76          HD11      LEU  76  -4.524   2.609   8.029
  611   HD12  LEU  76          HD12      LEU  76  -3.258   3.696   8.594
  612   HD13  LEU  76          HD13      LEU  76  -4.330   2.912   9.758
  613   HD21  LEU  76          HD21      LEU  76  -0.985   1.036   9.908
  614   HD22  LEU  76          HD22      LEU  76  -2.124   1.901  10.943
  615   HD23  LEU  76          HD23      LEU  76  -1.198   2.775   9.721
  616    H    ALA  77           HN       ALA  77  -3.801  -2.789   7.867
  617    HA   ALA  77           HA       ALA  77  -5.347  -4.253   9.733
  618    HB1  ALA  77           HB1      ALA  77  -5.458  -6.013   7.995
  619    HB2  ALA  77           HB2      ALA  77  -4.159  -5.225   7.098
  620    HB3  ALA  77           HB3      ALA  77  -5.713  -4.416   7.288
  621    H    ARG  78           HN       ARG  78  -2.071  -4.792   8.404
  622    HA   ARG  78           HA       ARG  78  -1.483  -7.163   9.871
  623    HB2  ARG  78           HB2      ARG  78   0.522  -5.206   8.675
  624    HB3  ARG  78           HB1      ARG  78   0.842  -6.879   9.132
  625    HG2  ARG  78           HG2      ARG  78  -0.982  -5.938   6.907
  626    HG3  ARG  78           HG1      ARG  78   0.620  -6.643   6.710
  627    HD2  ARG  78           HD2      ARG  78  -0.176  -8.798   7.522
  628    HD3  ARG  78           HD1      ARG  78  -1.741  -8.103   7.953
  629    HE   ARG  78           HE       ARG  78  -2.405  -8.215   5.777
  630   HH11  ARG  78          HH11      ARG  78   1.049  -8.845   5.846
  631   HH12  ARG  78          HH12      ARG  78   1.134  -9.213   4.152
  632   HH21  ARG  78          HH21      ARG  78  -2.278  -8.690   3.557
  633   HH22  ARG  78          HH22      ARG  78  -0.752  -9.123   2.854
  634    H    LYS  79           HN       LYS  79  -1.407  -3.831  10.783
  635    HA   LYS  79           HA       LYS  79   0.410  -3.956  12.973
  636    HB2  LYS  79           HB2      LYS  79  -1.963  -2.104  12.496
  637    HB3  LYS  79           HB1      LYS  79  -0.827  -1.911  13.828
  638    HG2  LYS  79           HG2      LYS  79  -0.200  -1.696  10.868
  639    HG3  LYS  79           HG1      LYS  79  -0.279  -0.367  12.030
  640    HD2  LYS  79           HD2      LYS  79   1.664  -1.308  13.242
  641    HD3  LYS  79           HD1      LYS  79   1.726  -2.661  12.106
  642    HE2  LYS  79           HE2      LYS  79   2.122  -0.992  10.258
  643    HE3  LYS  79           HE1      LYS  79   2.254   0.266  11.496
  644    HZ1  LYS  79           HZ1      LYS  79   4.402  -0.645  10.810
  645    HZ2  LYS  79           HZ2      LYS  79   3.934  -2.171  11.364
  646    HZ3  LYS  79           HZ3      LYS  79   4.098  -0.892  12.455
  647    H    LEU  80           HN       LEU  80  -3.048  -4.661  12.661
  648    HA   LEU  80           HA       LEU  80  -3.200  -5.506  15.496
  649    HB2  LEU  80           HB2      LEU  80  -5.414  -4.851  13.499
  650    HB3  LEU  80           HB1      LEU  80  -5.715  -5.539  15.078
  651    HG   LEU  80           HG       LEU  80  -6.201  -3.217  15.258
  652   HD11  LEU  80          HD11      LEU  80  -4.665  -2.431  16.979
  653   HD12  LEU  80          HD12      LEU  80  -3.475  -3.645  16.505
  654   HD13  LEU  80          HD13      LEU  80  -5.027  -4.143  17.188
  655   HD21  LEU  80          HD21      LEU  80  -4.654  -1.400  14.682
  656   HD22  LEU  80          HD22      LEU  80  -5.059  -2.377  13.273
  657   HD23  LEU  80          HD23      LEU  80  -3.492  -2.577  14.058
  658    H    GLU  81           HN       GLU  81  -4.879  -6.619  12.527
  659    HA   GLU  81           HA       GLU  81  -4.517  -9.405  13.238
  660    HB2  GLU  81           HB2      GLU  81  -5.954  -7.955  11.004
  661    HB3  GLU  81           HB1      GLU  81  -5.642  -9.681  10.856
  662    HG2  GLU  81           HG2      GLU  81  -7.187  -8.379  13.123
  663    HG3  GLU  81           HG1      GLU  81  -7.904  -9.173  11.719
  664    H    HIS  82           HN       HIS  82  -2.328  -9.765  13.176
  665    HA   HIS  82           HA       HIS  82  -0.671  -9.345  10.873
  666    HB2  HIS  82           HB2      HIS  82  -0.338 -11.260  13.236
  667    HB3  HIS  82           HB1      HIS  82   0.900 -10.938  12.027
  668    HD1  HIS  82           HD1      HIS  82   2.450  -9.023  12.509
  669    HD2  HIS  82           HD2      HIS  82  -0.973  -8.880  14.861
  670    HE1  HIS  82           HE1      HIS  82   2.841  -7.173  14.153
  671    HE2  HIS  82           HE2      HIS  82   0.816  -7.190  15.645
  672    H    HIS  83           HN       HIS  83  -2.007 -10.073   9.197
  673    HA   HIS  83           HA       HIS  83  -3.083 -11.365   7.733
  674    HB2  HIS  83           HB2      HIS  83  -1.525 -13.655   8.991
  675    HB3  HIS  83           HB1      HIS  83  -2.526 -13.831   7.554
  676    HD1  HIS  83           HD1      HIS  83   0.849 -13.541   8.345
  677    HD2  HIS  83           HD2      HIS  83  -1.572 -11.669   5.548
  678    HE1  HIS  83           HE1      HIS  83   2.410 -12.632   6.613
  679    HE2  HIS  83           HE2      HIS  83   0.907 -11.708   4.827
  680    H    HIS  84           HN       HIS  84  -4.438 -13.675   7.732
  681    HA   HIS  84           HA       HIS  84  -6.238 -13.685  10.083
  682    HB2  HIS  84           HB2      HIS  84  -7.110 -13.714   7.145
  683    HB3  HIS  84           HB1      HIS  84  -8.183 -13.846   8.536
  684    HD1  HIS  84           HD1      HIS  84  -8.808 -11.661   9.759
  685    HD2  HIS  84           HD2      HIS  84  -6.092 -11.093   6.669
  686    HE1  HIS  84           HE1      HIS  84  -8.660  -9.185   9.443
  687    HE2  HIS  84           HE2      HIS  84  -6.876  -8.862   7.704
  688    H    HIS  85           HN       HIS  85  -7.908 -15.666   9.575
  689    HA   HIS  85           HA       HIS  85  -8.173 -17.900   9.751
  690    HB2  HIS  85           HB2      HIS  85  -6.168 -17.953   7.454
  691    HB3  HIS  85           HB1      HIS  85  -7.099 -19.351   7.976
  692    HD1  HIS  85           HD1      HIS  85  -7.136 -16.941   5.437
  693    HD2  HIS  85           HD2      HIS  85 -10.075 -18.574   7.869
  694    HE1  HIS  85           HE1      HIS  85  -9.293 -16.563   4.218
  695    HE2  HIS  85           HE2      HIS  85 -11.068 -17.424   5.779
  696    H    HIS  86           HN       HIS  86  -6.758 -17.031  11.738
  697    HA   HIS  86           HA       HIS  86  -4.091 -17.996  12.062
  698    HB2  HIS  86           HB2      HIS  86  -6.090 -17.046  14.169
  699    HB3  HIS  86           HB1      HIS  86  -4.366 -17.273  14.437
  700    HD1  HIS  86           HD1      HIS  86  -2.756 -15.499  13.391
  701    HD2  HIS  86           HD2      HIS  86  -6.790 -14.657  12.878
  702    HE1  HIS  86           HE1      HIS  86  -2.856 -13.099  12.680
  703    HE2  HIS  86           HE2      HIS  86  -5.306 -12.617  12.320
  704    H    HIS  87           HN       HIS  87  -4.024 -20.213  11.702
  705    HA   HIS  87           HA       HIS  87  -5.473 -21.981  13.605
  706    HB2  HIS  87           HB2      HIS  87  -4.624 -22.639  10.743
  707    HB3  HIS  87           HB1      HIS  87  -5.458 -23.727  11.848
  708    HD1  HIS  87           HD1      HIS  87  -6.311 -22.187   8.973
  709    HD2  HIS  87           HD2      HIS  87  -7.948 -21.869  12.775
  710    HE1  HIS  87           HE1      HIS  87  -8.637 -21.325   8.629
  711    HE2  HIS  87           HE2      HIS  87  -9.641 -21.250  10.930
  712   H282  PNS  88          H282      PNS  88   6.314  12.887  -9.495
  713   H281  PNS  88          H281      PNS  88   6.616  12.847 -11.237
  714   H303  PNS  88          H303      PNS  88   4.233  12.074 -11.736
  715   H302  PNS  88          H302      PNS  88   3.548  10.723 -10.820
  716   H301  PNS  88          H301      PNS  88   3.921  12.240 -10.004
  717   H313  PNS  88          H313      PNS  88   5.248  10.911  -8.323
  718   H312  PNS  88          H312      PNS  88   4.953   9.410  -9.202
  719   H311  PNS  88          H311      PNS  88   6.609   9.917  -8.853
  720    H32  PNS  88           H32      PNS  88   6.499  10.748 -12.498
  721    H33  PNS  88           H33      PNS  88   7.079   8.466 -11.024
  722    H36  PNS  88           H36      PNS  88   5.209   8.093 -10.462
  723   H372  PNS  88          H372      PNS  88   3.021   7.546 -12.315
  724   H371  PNS  88          H371      PNS  88   4.291   6.309 -12.246
  725   H382  PNS  88          H382      PNS  88   2.366   5.861 -10.709
  726   H381  PNS  88          H381      PNS  88   3.922   5.969  -9.884
  727    H41  PNS  88           H41      PNS  88   0.999   7.818 -10.711
  728   H422  PNS  88          H422      PNS  88   1.467  10.070  -9.045
  729   H421  PNS  88          H421      PNS  88  -0.077   9.568  -9.720
  730   H431  PNS  88          H431      PNS  88   1.134   8.410  -7.202
  731   H432  PNS  88          H432      PNS  88  -0.437   8.058  -7.862
  732    H44  PNS  88           H44      PNS  88   0.537  11.114  -6.695
  Start of MODEL   10
    1    H1   MET   1           HT1      MET   1 -10.699   0.057   6.105
    2    H2   MET   1           HT2      MET   1  -9.761   1.334   6.683
    3    H3   MET   1           HT3      MET   1 -10.189   1.270   5.052
    4    HA   MET   1           HA       MET   1 -12.460   1.567   5.520
    5    HB2  MET   1           HB2      MET   1 -11.672   1.710   8.456
    6    HB3  MET   1           HB1      MET   1 -13.271   2.078   7.824
    7    HG2  MET   1           HG2      MET   1 -13.249  -0.148   8.800
    8    HG3  MET   1           HG1      MET   1 -13.496  -0.265   7.056
    9    HE1  MET   1           HE1      MET   1 -12.928  -2.865   7.186
   10    HE2  MET   1           HE2      MET   1 -12.601  -2.781   8.920
   11    HE3  MET   1           HE3      MET   1 -11.419  -3.509   7.831
   12    HA   PRO   2           HA       PRO   2 -11.325   6.035   6.784
   13    HB2  PRO   2           HB2      PRO   2  -9.470   6.687   8.578
   14    HB3  PRO   2           HB1      PRO   2 -10.878   5.750   9.107
   15    HG2  PRO   2           HG2      PRO   2  -8.068   4.823   8.573
   16    HG3  PRO   2           HG1      PRO   2  -9.194   4.312   9.850
   17    HD2  PRO   2           HD2      PRO   2  -8.748   3.003   7.346
   18    HD3  PRO   2           HD1      PRO   2 -10.033   2.638   8.515
   19    H    THR   3           HN       THR   3 -10.246   4.944   4.555
   20    HA   THR   3           HA       THR   3  -7.447   4.982   4.232
   21    HB   THR   3           HB       THR   3  -7.982   4.614   1.795
   22    HG1  THR   3           HG1      THR   3 -10.639   5.015   2.740
   23   HG21  THR   3          HG21      THR   3  -9.109   2.433   2.109
   24   HG22  THR   3          HG22      THR   3  -9.541   2.897   3.759
   25   HG23  THR   3          HG23      THR   3  -7.843   2.700   3.310
   26    H    LEU   4           HN       LEU   4  -9.655   6.962   2.220
   27    HA   LEU   4           HA       LEU   4  -7.684   8.846   1.443
   28    HB2  LEU   4           HB2      LEU   4 -10.716   9.043   1.378
   29    HB3  LEU   4           HB1      LEU   4  -9.636  10.176   0.572
   30    HG   LEU   4           HG       LEU   4  -9.815   7.203  -0.072
   31   HD11  LEU   4          HD11      LEU   4 -10.995   9.548  -1.591
   32   HD12  LEU   4          HD12      LEU   4 -11.889   8.322  -0.689
   33   HD13  LEU   4          HD13      LEU   4 -10.979   7.862  -2.124
   34   HD21  LEU   4          HD21      LEU   4  -7.597   8.107  -0.566
   35   HD22  LEU   4          HD22      LEU   4  -8.309   9.434  -1.490
   36   HD23  LEU   4          HD23      LEU   4  -8.465   7.771  -2.064
   37    H    ASP   5           HN       ASP   5  -9.937   8.698   4.111
   38    HA   ASP   5           HA       ASP   5 -10.013  11.343   5.045
   39    HB2  ASP   5           HB2      ASP   5 -10.076   8.785   6.726
   40    HB3  ASP   5           HB1      ASP   5 -10.628  10.370   7.261
   41    H    ALA   6           HN       ALA   6  -7.905   8.679   6.129
   42    HA   ALA   6           HA       ALA   6  -6.324  10.206   7.914
   43    HB1  ALA   6           HB1      ALA   6  -5.728   7.495   6.670
   44    HB2  ALA   6           HB2      ALA   6  -6.646   7.769   8.150
   45    HB3  ALA   6           HB3      ALA   6  -4.932   8.181   8.095
   46    H    LEU   7           HN       LEU   7  -5.986   9.402   4.504
   47    HA   LEU   7           HA       LEU   7  -3.235  10.140   4.228
   48    HB2  LEU   7           HB2      LEU   7  -5.446   9.906   2.148
   49    HB3  LEU   7           HB1      LEU   7  -3.755  10.186   1.758
   50    HG   LEU   7           HG       LEU   7  -4.917   7.688   3.046
   51   HD11  LEU   7          HD11      LEU   7  -4.237   6.575   0.962
   52   HD12  LEU   7          HD12      LEU   7  -3.700   8.121   0.300
   53   HD13  LEU   7          HD13      LEU   7  -5.407   7.860   0.667
   54   HD21  LEU   7          HD21      LEU   7  -2.012   8.293   2.380
   55   HD22  LEU   7          HD22      LEU   7  -2.645   6.733   2.916
   56   HD23  LEU   7          HD23      LEU   7  -2.701   8.121   3.998
   57    H    THR   8           HN       THR   8  -6.270  11.976   4.122
   58    HA   THR   8           HA       THR   8  -5.482  14.140   2.547
   59    HB   THR   8           HB       THR   8  -7.522  14.122   4.803
   60    HG1  THR   8           HG1      THR   8  -7.530  12.857   2.560
   61   HG21  THR   8          HG21      THR   8  -7.181  16.158   2.558
   62   HG22  THR   8          HG22      THR   8  -6.924  16.466   4.276
   63   HG23  THR   8          HG23      THR   8  -8.542  16.092   3.680
   64    HA   PRO   9           HA       PRO   9  -3.850  16.495   6.703
   65    HB2  PRO   9           HB2      PRO   9  -3.005  13.961   8.131
   66    HB3  PRO   9           HB1      PRO   9  -3.502  15.520   8.812
   67    HG2  PRO   9           HG2      PRO   9  -5.203  13.482   8.810
   68    HG3  PRO   9           HG1      PRO   9  -5.782  15.114   8.404
   69    HD2  PRO   9           HD2      PRO   9  -5.177  12.799   6.566
   70    HD3  PRO   9           HD1      PRO   9  -6.506  13.974   6.491
   71    H    ILE  10           HN       ILE  10  -2.502  13.371   5.623
   72    HA   ILE  10           HA       ILE  10   0.250  13.998   5.992
   73    HB   ILE  10           HB       ILE  10  -0.922  11.928   4.067
   74   HG12  ILE  10          HG12      ILE  10  -1.747  11.590   6.407
   75   HG13  ILE  10          HG11      ILE  10  -0.712  10.269   5.875
   76   HG21  ILE  10          HG21      ILE  10   1.276  10.778   4.296
   77   HG22  ILE  10          HG22      ILE  10   1.874  12.115   5.276
   78   HG23  ILE  10          HG23      ILE  10   1.440  12.386   3.589
   79   HD11  ILE  10          HD11      ILE  10   0.108  12.529   7.702
   80   HD12  ILE  10          HD12      ILE  10   1.122  11.170   7.202
   81   HD13  ILE  10          HD13      ILE  10  -0.309  10.886   8.189
   82    H    PHE  11           HN       PHE  11  -1.792  13.928   3.047
   83    HA   PHE  11           HA       PHE  11   0.217  14.730   1.206
   84    HB2  PHE  11           HB2      PHE  11  -2.820  14.650   1.048
   85    HB3  PHE  11           HB1      PHE  11  -1.850  15.253  -0.289
   86    HD1  PHE  11           HD1      PHE  11  -1.785  12.225   1.982
   87    HD2  PHE  11           HD2      PHE  11  -1.578  13.721  -2.014
   88    HE1  PHE  11           HE1      PHE  11  -1.561   9.931   1.131
   89    HE2  PHE  11           HE2      PHE  11  -1.353  11.425  -2.847
   90    HZ   PHE  11           HZ       PHE  11  -1.339   9.529  -1.286
   91    H    ARG  12           HN       ARG  12  -2.409  16.523   2.840
   92    HA   ARG  12           HA       ARG  12  -1.919  19.046   1.681
   93    HB2  ARG  12           HB2      ARG  12  -3.256  18.276   4.294
   94    HB3  ARG  12           HB1      ARG  12  -3.172  19.942   3.721
   95    HG2  ARG  12           HG2      ARG  12  -4.377  19.189   1.630
   96    HG3  ARG  12           HG1      ARG  12  -4.609  17.617   2.404
   97    HD2  ARG  12           HD2      ARG  12  -5.894  18.643   4.198
   98    HD3  ARG  12           HD1      ARG  12  -5.555  20.262   3.563
   99    HE   ARG  12           HE       ARG  12  -6.887  18.473   1.721
  100   HH11  ARG  12          HH11      ARG  12  -7.362  20.932   4.180
  101   HH12  ARG  12          HH12      ARG  12  -8.951  21.344   3.627
  102   HH21  ARG  12          HH21      ARG  12  -8.943  19.027   1.006
  103   HH22  ARG  12          HH22      ARG  12  -9.855  20.246   1.835
  104    H    GLN  13           HN       GLN  13  -0.391  17.433   4.438
  105    HA   GLN  13           HA       GLN  13   1.004  19.731   5.414
  106    HB2  GLN  13           HB2      GLN  13   0.570  17.777   6.857
  107    HB3  GLN  13           HB1      GLN  13   1.521  16.745   5.801
  108    HG2  GLN  13           HG2      GLN  13   2.753  17.291   7.833
  109    HG3  GLN  13           HG1      GLN  13   3.559  17.968   6.420
  110   HE21  GLN  13          HE21      GLN  13   1.662  18.724   9.281
  111   HE22  GLN  13          HE22      GLN  13   2.030  20.411   9.322
  112    H    VAL  14           HN       VAL  14   2.060  16.854   3.595
  113    HA   VAL  14           HA       VAL  14   4.730  17.499   3.211
  114    HB   VAL  14           HB       VAL  14   2.847  15.710   1.616
  115   HG11  VAL  14          HG11      VAL  14   4.850  14.635   0.598
  116   HG12  VAL  14          HG12      VAL  14   5.859  15.916   1.273
  117   HG13  VAL  14          HG13      VAL  14   4.633  16.300   0.062
  118   HG21  VAL  14          HG21      VAL  14   5.009  15.049   3.653
  119   HG22  VAL  14          HG22      VAL  14   3.992  13.871   2.820
  120   HG23  VAL  14          HG23      VAL  14   3.266  15.022   3.942
  121    H    PHE  15           HN       PHE  15   2.079  17.894   0.833
  122    HA   PHE  15           HA       PHE  15   3.781  19.333  -1.024
  123    HB2  PHE  15           HB2      PHE  15   0.790  18.760  -1.127
  124    HB3  PHE  15           HB1      PHE  15   1.737  19.445  -2.442
  125    HD1  PHE  15           HD2      PHE  15   3.535  18.035  -3.550
  126    HD2  PHE  15           HD1      PHE  15   0.742  16.371  -0.769
  127    HE1  PHE  15           HE2      PHE  15   4.078  15.772  -4.344
  128    HE2  PHE  15           HE1      PHE  15   1.301  14.114  -1.568
  129    HZ   PHE  15           HZ       PHE  15   2.968  13.815  -3.358
  130    H    ASP  16           HN       ASP  16   1.651  20.106   1.581
  131    HA   ASP  16           HA       ASP  16   0.911  21.958   2.585
  132    HB2  ASP  16           HB2      ASP  16   3.314  22.602   2.581
  133    HB3  ASP  16           HB1      ASP  16   3.103  23.395   1.026
  134    H    ASP  17           HN       ASP  17  -1.104  21.726   1.521
  135    HA   ASP  17           HA       ASP  17  -1.983  23.972   0.002
  136    HB2  ASP  17           HB2      ASP  17  -0.862  22.824  -1.837
  137    HB3  ASP  17           HB1      ASP  17  -1.700  21.319  -1.472
  138    H    ASP  18           HN       ASP  18  -3.991  24.339   0.594
  139    HA   ASP  18           HA       ASP  18  -5.694  22.469   1.941
  140    HB2  ASP  18           HB2      ASP  18  -5.739  24.884   2.467
  141    HB3  ASP  18           HB1      ASP  18  -6.244  25.252   0.823
  142    H    SER  19           HN       SER  19  -5.309  23.390  -1.407
  143    HA   SER  19           HA       SER  19  -7.948  22.705  -2.325
  144    HB2  SER  19           HB2      SER  19  -5.396  23.009  -3.966
  145    HB3  SER  19           HB1      SER  19  -7.053  23.096  -4.569
  146    HG   SER  19           HG       SER  19  -6.715  24.823  -2.533
  147    H    ILE  20           HN       ILE  20  -5.266  20.782  -1.428
  148    HA   ILE  20           HA       ILE  20  -5.627  18.525  -3.110
  149    HB   ILE  20           HB       ILE  20  -4.473  18.731  -0.291
  150   HG12  ILE  20          HG12      ILE  20  -3.115  18.462  -3.011
  151   HG13  ILE  20          HG11      ILE  20  -3.186  19.927  -2.040
  152   HG21  ILE  20          HG21      ILE  20  -3.500  16.476  -0.617
  153   HG22  ILE  20          HG22      ILE  20  -4.389  16.312  -2.131
  154   HG23  ILE  20          HG23      ILE  20  -5.262  16.431  -0.602
  155   HD11  ILE  20          HD11      ILE  20  -1.746  17.381  -1.306
  156   HD12  ILE  20          HD12      ILE  20  -1.805  18.851  -0.329
  157   HD13  ILE  20          HD13      ILE  20  -1.018  18.869  -1.906
  158    H    VAL  21           HN       VAL  21  -7.621  17.804  -3.361
  159    HA   VAL  21           HA       VAL  21  -9.206  16.839  -1.044
  160    HB   VAL  21           HB       VAL  21 -10.214  17.641  -3.828
  161   HG11  VAL  21          HG11      VAL  21 -12.483  17.384  -2.875
  162   HG12  VAL  21          HG12      VAL  21 -11.786  16.825  -1.353
  163   HG13  VAL  21          HG13      VAL  21 -11.583  15.866  -2.821
  164   HG21  VAL  21          HG21      VAL  21 -10.526  19.168  -1.210
  165   HG22  VAL  21          HG22      VAL  21 -11.271  19.601  -2.751
  166   HG23  VAL  21          HG23      VAL  21  -9.516  19.646  -2.579
  167    H    LEU  22           HN       LEU  22  -8.946  14.635  -0.924
  168    HA   LEU  22           HA       LEU  22  -7.745  13.236  -3.195
  169    HB2  LEU  22           HB2      LEU  22  -8.088  12.413  -0.294
  170    HB3  LEU  22           HB1      LEU  22  -7.268  11.449  -1.518
  171    HG   LEU  22           HG       LEU  22  -6.378  14.176  -0.487
  172   HD11  LEU  22          HD11      LEU  22  -4.464  12.966   0.449
  173   HD12  LEU  22          HD12      LEU  22  -5.148  11.432  -0.100
  174   HD13  LEU  22          HD13      LEU  22  -5.989  12.393   1.121
  175   HD21  LEU  22          HD21      LEU  22  -5.812  13.989  -2.865
  176   HD22  LEU  22          HD22      LEU  22  -5.052  12.418  -2.598
  177   HD23  LEU  22          HD23      LEU  22  -4.354  13.874  -1.882
  178    H    THR  23           HN       THR  23  -8.699  11.797  -4.366
  179    HA   THR  23           HA       THR  23 -11.130  10.373  -3.502
  180    HB   THR  23           HB       THR  23 -12.001  10.405  -5.838
  181    HG1  THR  23           HG1      THR  23 -10.308  12.495  -6.615
  182   HG21  THR  23          HG21      THR  23 -11.556  13.213  -4.755
  183   HG22  THR  23          HG22      THR  23 -12.876  12.126  -4.317
  184   HG23  THR  23          HG23      THR  23 -12.768  12.758  -5.960
  185    H    ARG  24           HN       ARG  24 -11.346   8.340  -4.966
  186    HA   ARG  24           HA       ARG  24  -8.873   6.891  -4.813
  187    HB2  ARG  24           HB2      ARG  24 -11.535   6.002  -5.980
  188    HB3  ARG  24           HB1      ARG  24 -10.184   4.948  -5.574
  189    HG2  ARG  24           HG2      ARG  24 -10.466   5.689  -3.165
  190    HG3  ARG  24           HG1      ARG  24 -11.944   6.516  -3.664
  191    HD2  ARG  24           HD2      ARG  24 -12.561   4.377  -2.742
  192    HD3  ARG  24           HD1      ARG  24 -12.821   4.286  -4.488
  193    HE   ARG  24           HE       ARG  24 -10.607   3.037  -2.968
  194   HH11  ARG  24          HH11      ARG  24 -12.468   3.226  -5.948
  195   HH12  ARG  24          HH12      ARG  24 -11.802   1.756  -6.579
  196   HH21  ARG  24          HH21      ARG  24  -9.735   1.120  -3.807
  197   HH22  ARG  24          HH22      ARG  24 -10.243   0.565  -5.371
  198    H    GLU  25           HN       GLU  25  -9.923   8.969  -7.208
  199    HA   GLU  25           HA       GLU  25  -8.284   7.596  -9.259
  200    HB2  GLU  25           HB2      GLU  25 -10.607   9.534  -9.632
  201    HB3  GLU  25           HB1      GLU  25  -9.562   8.975 -10.940
  202    HG2  GLU  25           HG2      GLU  25 -10.305   6.633 -10.462
  203    HG3  GLU  25           HG1      GLU  25 -11.420   7.265  -9.250
  204    H    THR  26           HN       THR  26  -8.291  10.182  -7.072
  205    HA   THR  26           HA       THR  26  -6.870  12.178  -8.472
  206    HB   THR  26           HB       THR  26  -6.652  11.433  -5.512
  207    HG1  THR  26           HG1      THR  26  -8.511  12.817  -7.010
  208   HG21  THR  26          HG21      THR  26  -4.743  12.862  -6.204
  209   HG22  THR  26          HG22      THR  26  -5.851  13.742  -5.151
  210   HG23  THR  26          HG23      THR  26  -5.870  14.036  -6.891
  211    H    SER  27           HN       SER  27  -4.690  12.430  -8.931
  212    HA   SER  27           HA       SER  27  -2.670  10.533  -8.011
  213    HB2  SER  27           HB2      SER  27  -1.991   9.982 -10.370
  214    HB3  SER  27           HB1      SER  27  -3.611   9.402 -10.011
  215    HG   SER  27           HG       SER  27  -4.453  11.170 -11.117
  216    H    ALA  28           HN       ALA  28  -0.506  11.183  -9.275
  217    HA   ALA  28           HA       ALA  28   0.111  13.911  -8.975
  218    HB1  ALA  28           HB1      ALA  28   1.480  11.791 -10.630
  219    HB2  ALA  28           HB2      ALA  28   1.742  12.085  -8.910
  220    HB3  ALA  28           HB3      ALA  28   2.192  13.315 -10.093
  221    H    ASN  29           HN       ASN  29  -1.619  12.351 -11.531
  222    HA   ASN  29           HA       ASN  29  -1.027  14.244 -13.611
  223    HB2  ASN  29           HB2      ASN  29  -1.799  11.980 -14.176
  224    HB3  ASN  29           HB1      ASN  29  -3.262  12.203 -13.224
  225   HD21  ASN  29          HD21      ASN  29  -4.946  13.459 -14.068
  226   HD22  ASN  29          HD22      ASN  29  -5.006  13.918 -15.733
  227    H    ASP  30           HN       ASP  30  -3.365  13.846 -10.999
  228    HA   ASP  30           HA       ASP  30  -4.992  16.136 -11.705
  229    HB2  ASP  30           HB2      ASP  30  -4.942  14.404  -9.191
  230    HB3  ASP  30           HB1      ASP  30  -6.145  15.647  -9.534
  231    H    ILE  31           HN       ILE  31  -2.113  15.586  -9.838
  232    HA   ILE  31           HA       ILE  31  -2.264  18.299  -8.643
  233    HB   ILE  31           HB       ILE  31  -0.815  15.853  -7.504
  234   HG12  ILE  31          HG12      ILE  31  -3.244  17.379  -6.440
  235   HG13  ILE  31          HG11      ILE  31  -3.252  15.746  -7.093
  236   HG21  ILE  31          HG21      ILE  31   0.506  17.890  -7.090
  237   HG22  ILE  31          HG22      ILE  31  -0.187  17.289  -5.586
  238   HG23  ILE  31          HG23      ILE  31  -0.906  18.687  -6.387
  239   HD11  ILE  31          HD11      ILE  31  -1.914  16.632  -4.531
  240   HD12  ILE  31          HD12      ILE  31  -1.880  14.995  -5.189
  241   HD13  ILE  31          HD13      ILE  31  -3.409  15.711  -4.683
  242    H    ASP  32           HN       ASP  32  -1.194  19.430 -10.152
  243    HA   ASP  32           HA       ASP  32   0.885  18.599 -11.846
  244    HB2  ASP  32           HB2      ASP  32  -0.529  20.568 -12.321
  245    HB3  ASP  32           HB1      ASP  32   0.136  21.414 -10.930
  246    H    ALA  33           HN       ALA  33   0.958  20.175  -8.690
  247    HA   ALA  33           HA       ALA  33   3.831  20.584  -8.643
  248    HB1  ALA  33           HB1      ALA  33   1.733  21.029  -6.492
  249    HB2  ALA  33           HB2      ALA  33   2.308  22.236  -7.642
  250    HB3  ALA  33           HB3      ALA  33   3.411  21.586  -6.427
  251    H    TRP  34           HN       TRP  34   2.517  17.717  -8.610
  252    HA   TRP  34           HA       TRP  34   3.660  16.582  -6.194
  253    HB2  TRP  34           HB2      TRP  34   1.543  15.762  -7.358
  254    HB3  TRP  34           HB1      TRP  34   2.559  15.153  -8.651
  255    HD1  TRP  34           HD1      TRP  34   4.792  13.616  -7.075
  256    HE1  TRP  34           HE1      TRP  34   4.192  11.494  -5.765
  257    HE3  TRP  34           HE3      TRP  34  -0.221  14.406  -6.417
  258    HZ2  TRP  34           HZ2      TRP  34   1.957  10.301  -4.613
  259    HZ3  TRP  34           HZ3      TRP  34  -1.528  12.709  -5.203
  260    HH2  TRP  34           HH2      TRP  34  -0.450  10.695  -4.322
  261    H    ASP  35           HN       ASP  35   5.798  17.591  -6.767
  262    HA   ASP  35           HA       ASP  35   7.568  16.518  -8.688
  263    HB2  ASP  35           HB2      ASP  35   8.048  18.624  -7.566
  264    HB3  ASP  35           HB1      ASP  35   8.048  17.852  -5.987
  265    H    SER  36           HN       SER  36   9.552  15.105  -8.226
  266    HA   SER  36           HA       SER  36   8.832  12.558  -7.286
  267    HB2  SER  36           HB2      SER  36  11.520  13.837  -7.914
  268    HB3  SER  36           HB1      SER  36  11.336  12.131  -7.567
  269    H    LEU  37           HN       LEU  37  10.923  15.102  -5.964
  270    HA   LEU  37           HA       LEU  37  11.712  13.693  -3.619
  271    HB2  LEU  37           HB2      LEU  37  11.827  16.665  -4.271
  272    HB3  LEU  37           HB1      LEU  37  12.524  15.960  -2.830
  273    HG   LEU  37           HG       LEU  37  14.316  16.327  -4.354
  274   HD11  LEU  37          HD11      LEU  37  15.259  14.102  -4.694
  275   HD12  LEU  37          HD12      LEU  37  13.675  13.371  -4.424
  276   HD13  LEU  37          HD13      LEU  37  14.484  14.241  -3.117
  277   HD21  LEU  37          HD21      LEU  37  13.064  16.566  -6.440
  278   HD22  LEU  37          HD22      LEU  37  12.799  14.823  -6.508
  279   HD23  LEU  37          HD23      LEU  37  14.435  15.476  -6.646
  280    H    SER  38           HN       SER  38   9.024  15.755  -4.398
  281    HA   SER  38           HA       SER  38   7.993  16.167  -1.745
  282    HB2  SER  38           HB2      SER  38   6.566  16.298  -4.446
  283    HB3  SER  38           HB1      SER  38   5.962  16.962  -2.924
  284    HG   SER  38           HG       SER  38   8.442  17.885  -3.386
  285    H    HIS  39           HN       HIS  39   7.556  13.794  -4.302
  286    HA   HIS  39           HA       HIS  39   5.534  12.193  -3.124
  287    HB2  HIS  39           HB2      HIS  39   6.182  12.127  -5.542
  288    HB3  HIS  39           HB1      HIS  39   7.715  11.383  -5.102
  289    HD2  HIS  39           HD2      HIS  39   7.507   8.793  -5.810
  290    HE1  HIS  39           HE1      HIS  39   3.450   8.259  -4.810
  291    HE2  HIS  39           HE2      HIS  39   5.609   7.077  -5.418
  292    H    MET  40           HN       MET  40   9.100  12.059  -2.991
  293    HA   MET  40           HA       MET  40   9.355   9.732  -1.399
  294    HB2  MET  40           HB2      MET  40  11.203  12.131  -1.724
  295    HB3  MET  40           HB1      MET  40  11.637  10.705  -0.783
  296    HG2  MET  40           HG2      MET  40  11.038  10.779  -3.747
  297    HG3  MET  40           HG1      MET  40  12.621  10.566  -2.986
  298    HE1  MET  40           HE1      MET  40  11.902   8.548  -0.528
  299    HE2  MET  40           HE2      MET  40  13.310   8.338  -1.568
  300    HE3  MET  40           HE3      MET  40  12.197   6.992  -1.303
  301    H    ASN  41           HN       ASN  41   9.030  13.157  -0.551
  302    HA   ASN  41           HA       ASN  41   9.191  12.928   2.264
  303    HB2  ASN  41           HB2      ASN  41   7.679  14.968   0.588
  304    HB3  ASN  41           HB1      ASN  41   7.939  15.109   2.326
  305   HD21  ASN  41          HD21      ASN  41   8.732  16.980   0.394
  306   HD22  ASN  41          HD22      ASN  41  10.453  17.090   0.432
  307    H    LEU  42           HN       LEU  42   6.537  12.483  -0.003
  308    HA   LEU  42           HA       LEU  42   4.379  12.423   1.809
  309    HB2  LEU  42           HB2      LEU  42   4.346  12.708  -0.735
  310    HB3  LEU  42           HB1      LEU  42   4.575  10.978  -0.872
  311    HG   LEU  42           HG       LEU  42   2.203  11.871  -1.210
  312   HD11  LEU  42          HD11      LEU  42   1.082  10.018  -0.095
  313   HD12  LEU  42          HD12      LEU  42   2.506   9.736   0.908
  314   HD13  LEU  42          HD13      LEU  42   2.593   9.492  -0.836
  315   HD21  LEU  42          HD21      LEU  42   2.268  12.228   1.798
  316   HD22  LEU  42          HD22      LEU  42   0.857  12.403   0.753
  317   HD23  LEU  42          HD23      LEU  42   2.204  13.525   0.599
  318    H    ILE  43           HN       ILE  43   6.373   9.814   0.412
  319    HA   ILE  43           HA       ILE  43   5.076   7.610   1.629
  320    HB   ILE  43           HB       ILE  43   7.764   7.986   0.298
  321   HG12  ILE  43          HG12      ILE  43   6.931   6.212  -1.226
  322   HG13  ILE  43          HG11      ILE  43   5.498   6.008  -0.232
  323   HG21  ILE  43          HG21      ILE  43   8.418   5.610   0.661
  324   HG22  ILE  43          HG22      ILE  43   7.081   5.424   1.800
  325   HG23  ILE  43          HG23      ILE  43   8.404   6.533   2.166
  326   HD11  ILE  43          HD11      ILE  43   6.218   8.441  -1.856
  327   HD12  ILE  43          HD12      ILE  43   4.775   8.272  -0.854
  328   HD13  ILE  43          HD13      ILE  43   5.007   7.224  -2.252
  329    H    VAL  44           HN       VAL  44   7.969   9.465   2.666
  330    HA   VAL  44           HA       VAL  44   8.488   7.800   4.914
  331    HB   VAL  44           HB       VAL  44  10.158   9.453   5.590
  332   HG11  VAL  44          HG11      VAL  44  11.607   9.307   3.604
  333   HG12  VAL  44          HG12      VAL  44  10.207   8.905   2.613
  334   HG13  VAL  44          HG13      VAL  44  10.742   7.787   3.869
  335   HG21  VAL  44          HG21      VAL  44   9.088  11.214   3.348
  336   HG22  VAL  44          HG22      VAL  44  10.556  11.516   4.280
  337   HG23  VAL  44          HG23      VAL  44   8.989  11.543   5.080
  338    H    SER  45           HN       SER  45   6.492  10.625   4.484
  339    HA   SER  45           HA       SER  45   5.987  11.175   7.245
  340    HB2  SER  45           HB2      SER  45   4.326  11.795   4.777
  341    HB3  SER  45           HB1      SER  45   3.982  12.420   6.395
  342    HG   SER  45           HG       SER  45   6.462  12.790   5.079
  343    H    LEU  46           HN       LEU  46   4.463   9.035   4.853
  344    HA   LEU  46           HA       LEU  46   2.355   8.072   6.529
  345    HB2  LEU  46           HB2      LEU  46   3.722   6.806   4.126
  346    HB3  LEU  46           HB1      LEU  46   2.262   6.183   4.873
  347    HG   LEU  46           HG       LEU  46   2.449   8.919   3.550
  348   HD11  LEU  46          HD11      LEU  46   2.798   7.152   1.880
  349   HD12  LEU  46          HD12      LEU  46   1.248   7.954   1.645
  350   HD13  LEU  46          HD13      LEU  46   1.308   6.355   2.392
  351   HD21  LEU  46          HD21      LEU  46   0.687   8.764   5.254
  352   HD22  LEU  46          HD22      LEU  46   0.020   7.335   4.459
  353   HD23  LEU  46          HD23      LEU  46   0.001   8.899   3.637
  354    H    GLU  47           HN       GLU  47   5.699   7.079   5.954
  355    HA   GLU  47           HA       GLU  47   5.784   4.626   7.324
  356    HB2  GLU  47           HB2      GLU  47   7.943   6.712   6.808
  357    HB3  GLU  47           HB1      GLU  47   8.287   5.133   7.508
  358    HG2  GLU  47           HG2      GLU  47   6.931   5.433   4.815
  359    HG3  GLU  47           HG1      GLU  47   8.689   5.450   4.989
  360    H    VAL  48           HN       VAL  48   6.825   7.855   8.486
  361    HA   VAL  48           HA       VAL  48   7.481   6.959  11.081
  362    HB   VAL  48           HB       VAL  48   7.708   9.359  11.684
  363   HG11  VAL  48          HG11      VAL  48   9.545   9.899  10.112
  364   HG12  VAL  48          HG12      VAL  48   8.987   8.620   9.028
  365   HG13  VAL  48          HG13      VAL  48   9.594   8.212  10.634
  366   HG21  VAL  48          HG21      VAL  48   5.843  10.316  10.392
  367   HG22  VAL  48          HG22      VAL  48   6.673   9.945   8.879
  368   HG23  VAL  48          HG23      VAL  48   7.355  11.134   9.993
  369    H    HIS  49           HN       HIS  49   4.532   8.541   9.827
  370    HA   HIS  49           HA       HIS  49   3.325   8.961  12.374
  371    HB2  HIS  49           HB2      HIS  49   2.269   9.090   9.536
  372    HB3  HIS  49           HB1      HIS  49   1.151   9.188  10.890
  373    HD1  HIS  49           HD1      HIS  49   0.806  11.436  11.879
  374    HD2  HIS  49           HD2      HIS  49   4.283  11.282   9.628
  375    HE1  HIS  49           HE1      HIS  49   1.670  13.785  11.838
  376    HE2  HIS  49           HE2      HIS  49   3.673  13.696  10.317
  377    H    TYR  50           HN       TYR  50   2.660   6.468   9.849
  378    HA   TYR  50           HA       TYR  50   0.687   5.199  11.589
  379    HB2  TYR  50           HB2      TYR  50   1.614   4.424   8.792
  380    HB3  TYR  50           HB1      TYR  50   0.269   3.692   9.661
  381    HD1  TYR  50           HD2      TYR  50   1.390   6.690   7.841
  382    HD2  TYR  50           HD1      TYR  50  -1.877   4.894   9.916
  383    HE1  TYR  50           HE2      TYR  50  -0.119   8.373   6.910
  384    HE2  TYR  50           HE1      TYR  50  -3.392   6.589   8.980
  385    HH   TYR  50           HH       TYR  50  -2.509   8.582   6.406
  386    H    LYS  51           HN       LYS  51   4.041   4.864  11.039
  387    HA   LYS  51           HA       LYS  51   5.646   3.368  11.522
  388    HB2  LYS  51           HB2      LYS  51   3.599   2.437  13.566
  389    HB3  LYS  51           HB1      LYS  51   5.274   1.883  13.544
  390    HG2  LYS  51           HG2      LYS  51   6.049   4.204  13.894
  391    HG3  LYS  51           HG1      LYS  51   4.374   4.771  13.915
  392    HD2  LYS  51           HD2      LYS  51   3.929   3.453  15.942
  393    HD3  LYS  51           HD1      LYS  51   5.561   2.778  15.891
  394    HE2  LYS  51           HE2      LYS  51   5.394   4.576  17.564
  395    HE3  LYS  51           HE1      LYS  51   6.511   5.017  16.277
  396    HZ1  LYS  51           HZ1      LYS  51   3.706   5.948  16.534
  397    HZ2  LYS  51           HZ2      LYS  51   4.758   6.361  15.280
  398    HZ3  LYS  51           HZ3      LYS  51   5.091   6.854  16.861
  399    H    ILE  52           HN       ILE  52   4.348   2.793   9.291
  400    HA   ILE  52           HA       ILE  52   3.977  -0.146   9.164
  401    HB   ILE  52           HB       ILE  52   2.855   0.305   6.951
  402   HG12  ILE  52          HG12      ILE  52   3.178   3.246   7.744
  403   HG13  ILE  52          HG11      ILE  52   3.849   2.458   6.314
  404   HG21  ILE  52          HG21      ILE  52   1.581   1.731   9.319
  405   HG22  ILE  52          HG22      ILE  52   1.513   0.000   8.986
  406   HG23  ILE  52          HG23      ILE  52   0.727   1.134   7.890
  407   HD11  ILE  52          HD11      ILE  52   0.918   2.975   6.876
  408   HD12  ILE  52          HD12      ILE  52   1.551   2.142   5.452
  409   HD13  ILE  52          HD13      ILE  52   1.945   3.837   5.732
  410    H    LYS  53           HN       LYS  53   4.650  -0.646   6.504
  411    HA   LYS  53           HA       LYS  53   7.332   0.523   6.068
  412    HB2  LYS  53           HB2      LYS  53   7.735  -1.564   7.341
  413    HB3  LYS  53           HB1      LYS  53   6.807  -2.484   6.155
  414    HG2  LYS  53           HG2      LYS  53   8.469  -1.834   4.398
  415    HG3  LYS  53           HG1      LYS  53   9.411  -0.998   5.638
  416    HD2  LYS  53           HD2      LYS  53   9.738  -3.165   6.816
  417    HD3  LYS  53           HD1      LYS  53   8.825  -3.982   5.540
  418    HE2  LYS  53           HE2      LYS  53  10.525  -3.285   3.884
  419    HE3  LYS  53           HE1      LYS  53  11.427  -2.457   5.155
  420    HZ1  LYS  53           HZ1      LYS  53  11.805  -4.558   6.233
  421    HZ2  LYS  53           HZ2      LYS  53  12.333  -4.642   4.629
  422    HZ3  LYS  53           HZ3      LYS  53  10.876  -5.375   5.079
  423    H    PHE  54           HN       PHE  54   6.989   1.487   4.133
  424    HA   PHE  54           HA       PHE  54   5.791   0.029   1.893
  425    HB2  PHE  54           HB2      PHE  54   7.153   2.767   1.937
  426    HB3  PHE  54           HB1      PHE  54   6.370   2.042   0.543
  427    HD1  PHE  54           HD1      PHE  54   5.822   3.615   3.808
  428    HD2  PHE  54           HD2      PHE  54   3.925   1.974   0.350
  429    HE1  PHE  54           HE1      PHE  54   3.707   4.622   4.490
  430    HE2  PHE  54           HE2      PHE  54   1.802   3.014   1.047
  431    HZ   PHE  54           HZ       PHE  54   1.700   4.334   3.112
  432    H    ALA  55           HN       ALA  55   6.942  -1.288   0.679
  433    HA   ALA  55           HA       ALA  55   9.849  -1.007   0.351
  434    HB1  ALA  55           HB1      ALA  55   9.650  -3.071  -1.013
  435    HB2  ALA  55           HB2      ALA  55   7.896  -3.042  -0.807
  436    HB3  ALA  55           HB3      ALA  55   8.943  -3.294   0.589
  437    H    LEU  56           HN       LEU  56  10.697  -0.163  -1.555
  438    HA   LEU  56           HA       LEU  56   9.137   1.640  -3.096
  439    HB2  LEU  56           HB2      LEU  56  11.700   1.631  -2.587
  440    HB3  LEU  56           HB1      LEU  56  11.859   0.535  -3.938
  441    HG   LEU  56           HG       LEU  56  12.406   2.977  -4.407
  442   HD11  LEU  56          HD11      LEU  56  10.238   1.824  -6.162
  443   HD12  LEU  56          HD12      LEU  56  11.959   1.444  -6.245
  444   HD13  LEU  56          HD13      LEU  56  11.403   3.075  -6.607
  445   HD21  LEU  56          HD21      LEU  56  10.639   3.998  -3.066
  446   HD22  LEU  56          HD22      LEU  56   9.410   3.380  -4.173
  447   HD23  LEU  56          HD23      LEU  56  10.586   4.572  -4.729
  448    H    GLY  57           HN       GLY  57  10.001  -1.750  -3.552
  449    HA2  GLY  57           HA2      GLY  57   9.186  -2.192  -6.197
  450    HA3  GLY  57           HA1      GLY  57   9.080  -3.375  -4.900
  451    H    GLU  58           HN       GLU  58   7.252  -2.041  -3.213
  452    HA   GLU  58           HA       GLU  58   4.697  -2.553  -4.376
  453    HB2  GLU  58           HB2      GLU  58   5.358  -1.028  -1.818
  454    HB3  GLU  58           HB1      GLU  58   3.760  -1.626  -2.266
  455    HG2  GLU  58           HG2      GLU  58   4.612  -3.940  -2.171
  456    HG3  GLU  58           HG1      GLU  58   6.203  -3.335  -1.700
  457    H    LEU  59           HN       LEU  59   6.564   0.413  -3.829
  458    HA   LEU  59           HA       LEU  59   4.595   2.324  -4.495
  459    HB2  LEU  59           HB2      LEU  59   7.616   2.347  -4.469
  460    HB3  LEU  59           HB1      LEU  59   6.785   3.686  -5.229
  461    HG   LEU  59           HG       LEU  59   7.364   4.320  -2.973
  462   HD11  LEU  59          HD11      LEU  59   5.277   5.188  -3.807
  463   HD12  LEU  59          HD12      LEU  59   5.157   4.885  -2.076
  464   HD13  LEU  59          HD13      LEU  59   4.407   3.770  -3.218
  465   HD21  LEU  59          HD21      LEU  59   7.561   2.119  -1.942
  466   HD22  LEU  59          HD22      LEU  59   5.810   1.910  -2.010
  467   HD23  LEU  59          HD23      LEU  59   6.510   3.170  -0.990
  468    H    GLN  60           HN       GLN  60   6.864   0.525  -6.538
  469    HA   GLN  60           HA       GLN  60   6.250   1.724  -9.009
  470    HB2  GLN  60           HB2      GLN  60   7.139  -1.125  -8.427
  471    HB3  GLN  60           HB1      GLN  60   7.195  -0.361 -10.016
  472    HG2  GLN  60           HG2      GLN  60   8.695   0.746  -7.625
  473    HG3  GLN  60           HG1      GLN  60   9.374  -0.500  -8.662
  474   HE21  GLN  60          HE21      GLN  60   7.455   2.216  -9.998
  475   HE22  GLN  60          HE22      GLN  60   8.792   2.988 -10.751
  476    H    LYS  61           HN       LYS  61   4.398  -0.476  -7.082
  477    HA   LYS  61           HA       LYS  61   2.523  -1.184  -9.231
  478    HB2  LYS  61           HB2      LYS  61   2.225  -1.913  -6.289
  479    HB3  LYS  61           HB1      LYS  61   1.550  -2.736  -7.694
  480    HG2  LYS  61           HG2      LYS  61   4.468  -2.673  -6.874
  481    HG3  LYS  61           HG1      LYS  61   3.357  -4.030  -6.674
  482    HD2  LYS  61           HD2      LYS  61   3.198  -4.310  -9.100
  483    HD3  LYS  61           HD1      LYS  61   4.189  -2.869  -9.368
  484    HE2  LYS  61           HE2      LYS  61   6.114  -3.972  -8.317
  485    HE3  LYS  61           HE1      LYS  61   5.127  -5.392  -7.950
  486    HZ1  LYS  61           HZ1      LYS  61   5.772  -4.387 -10.663
  487    HZ2  LYS  61           HZ2      LYS  61   4.837  -5.748 -10.316
  488    HZ3  LYS  61           HZ3      LYS  61   6.477  -5.723  -9.909
  489    H    LEU  62           HN       LEU  62   2.958   1.379  -7.055
  490    HA   LEU  62           HA       LEU  62   0.087   1.977  -6.726
  491    HB2  LEU  62           HB2      LEU  62   2.504   3.393  -5.511
  492    HB3  LEU  62           HB1      LEU  62   0.817   3.724  -5.140
  493    HG   LEU  62           HG       LEU  62   2.365   1.203  -4.459
  494   HD11  LEU  62          HD11      LEU  62   2.014   1.837  -2.126
  495   HD12  LEU  62          HD12      LEU  62   1.173   3.303  -2.635
  496   HD13  LEU  62          HD13      LEU  62   2.883   3.093  -3.008
  497   HD21  LEU  62          HD21      LEU  62  -0.575   1.757  -3.932
  498   HD22  LEU  62          HD22      LEU  62   0.344   0.365  -3.344
  499   HD23  LEU  62          HD23      LEU  62   0.081   0.577  -5.069
  500    H    LYS  63           HN       LYS  63  -0.765   3.066  -8.357
  501    HA   LYS  63           HA       LYS  63   0.864   4.814 -10.078
  502    HB2  LYS  63           HB2      LYS  63  -0.277   2.935 -11.168
  503    HB3  LYS  63           HB1      LYS  63  -1.821   3.427 -10.500
  504    HG2  LYS  63           HG2      LYS  63  -0.365   5.319 -12.337
  505    HG3  LYS  63           HG1      LYS  63  -1.162   3.911 -13.033
  506    HD2  LYS  63           HD2      LYS  63  -2.499   6.114 -11.400
  507    HD3  LYS  63           HD1      LYS  63  -2.628   5.876 -13.142
  508    HE2  LYS  63           HE2      LYS  63  -3.720   3.660 -12.714
  509    HE3  LYS  63           HE1      LYS  63  -3.664   4.006 -10.985
  510    HZ1  LYS  63           HZ1      LYS  63  -5.134   5.552 -13.038
  511    HZ2  LYS  63           HZ2      LYS  63  -5.033   5.970 -11.405
  512    HZ3  LYS  63           HZ3      LYS  63  -5.809   4.538 -11.864
  513    H    ASN  64           HN       ASN  64  -1.856   4.879  -7.818
  514    HA   ASN  64           HA       ASN  64  -1.893   7.787  -7.953
  515    HB2  ASN  64           HB2      ASN  64  -4.138   8.137  -8.603
  516    HB3  ASN  64           HB1      ASN  64  -3.555   6.929  -9.729
  517   HD21  ASN  64          HD21      ASN  64  -3.870   4.649  -7.987
  518   HD22  ASN  64          HD22      ASN  64  -5.565   4.391  -7.805
  519    H    VAL  65           HN       VAL  65  -3.758   8.620  -6.407
  520    HA   VAL  65           HA       VAL  65  -3.038   7.863  -3.764
  521    HB   VAL  65           HB       VAL  65  -5.427   9.568  -4.625
  522   HG11  VAL  65          HG11      VAL  65  -5.269  10.602  -2.371
  523   HG12  VAL  65          HG12      VAL  65  -3.972   9.485  -1.948
  524   HG13  VAL  65          HG13      VAL  65  -5.595   8.870  -2.266
  525   HG21  VAL  65          HG21      VAL  65  -3.360  10.463  -5.597
  526   HG22  VAL  65          HG22      VAL  65  -2.578  10.452  -4.015
  527   HG23  VAL  65          HG23      VAL  65  -3.939  11.535  -4.319
  528    H    GLY  66           HN       GLY  66  -5.630   6.838  -5.892
  529    HA2  GLY  66           HA2      GLY  66  -7.325   5.546  -4.021
  530    HA3  GLY  66           HA1      GLY  66  -7.166   5.138  -5.727
  531    H    ASP  67           HN       ASP  67  -4.448   4.475  -5.791
  532    HA   ASP  67           HA       ASP  67  -4.363   1.805  -4.810
  533    HB2  ASP  67           HB2      ASP  67  -2.152   3.599  -5.904
  534    HB3  ASP  67           HB1      ASP  67  -1.876   1.926  -5.434
  535    H    LEU  68           HN       LEU  68  -2.891   4.864  -3.642
  536    HA   LEU  68           HA       LEU  68  -1.554   3.776  -1.389
  537    HB2  LEU  68           HB2      LEU  68  -2.476   6.564  -2.105
  538    HB3  LEU  68           HB1      LEU  68  -1.990   6.263  -0.453
  539    HG   LEU  68           HG       LEU  68  -0.162   7.257  -1.683
  540   HD11  LEU  68          HD11      LEU  68   0.421   5.684   0.077
  541   HD12  LEU  68          HD12      LEU  68   1.615   5.655  -1.216
  542   HD13  LEU  68          HD13      LEU  68   0.433   4.351  -1.082
  543   HD21  LEU  68          HD21      LEU  68   0.905   6.180  -3.597
  544   HD22  LEU  68          HD22      LEU  68  -0.782   6.551  -3.949
  545   HD23  LEU  68          HD23      LEU  68  -0.302   4.891  -3.574
  546    H    ALA  69           HN       ALA  69  -4.891   4.830  -1.850
  547    HA   ALA  69           HA       ALA  69  -5.701   5.050   0.827
  548    HB1  ALA  69           HB1      ALA  69  -8.001   4.816  -0.058
  549    HB2  ALA  69           HB2      ALA  69  -7.347   4.276  -1.608
  550    HB3  ALA  69           HB3      ALA  69  -7.030   5.916  -1.040
  551    H    ASP  70           HN       ASP  70  -6.260   2.409  -1.437
  552    HA   ASP  70           HA       ASP  70  -7.128   0.436   0.354
  553    HB2  ASP  70           HB2      ASP  70  -5.828   0.234  -2.395
  554    HB3  ASP  70           HB1      ASP  70  -6.457  -1.171  -1.534
  555    H    LEU  71           HN       LEU  71  -3.840   1.121  -0.863
  556    HA   LEU  71           HA       LEU  71  -2.635  -1.248   0.170
  557    HB2  LEU  71           HB2      LEU  71  -1.788  -0.148  -1.823
  558    HB3  LEU  71           HB1      LEU  71  -1.401   1.297  -0.930
  559    HG   LEU  71           HG       LEU  71   0.517  -0.314  -1.690
  560   HD11  LEU  71          HD11      LEU  71   0.888   1.633  -0.284
  561   HD12  LEU  71          HD12      LEU  71   1.924   0.292   0.193
  562   HD13  LEU  71          HD13      LEU  71   0.498   0.692   1.157
  563   HD21  LEU  71          HD21      LEU  71   1.151  -2.089  -0.159
  564   HD22  LEU  71          HD22      LEU  71  -0.457  -2.405  -0.810
  565   HD23  LEU  71          HD23      LEU  71  -0.279  -1.791   0.835
  566    H    VAL  72           HN       VAL  72  -2.408   2.175   1.277
  567    HA   VAL  72           HA       VAL  72  -0.841   1.784   3.556
  568    HB   VAL  72           HB       VAL  72  -3.043   3.871   3.125
  569   HG11  VAL  72          HG11      VAL  72  -0.885   3.827   5.291
  570   HG12  VAL  72          HG12      VAL  72  -2.618   3.627   5.552
  571   HG13  VAL  72          HG13      VAL  72  -1.989   5.170   4.977
  572   HG21  VAL  72          HG21      VAL  72  -1.182   4.040   1.497
  573   HG22  VAL  72          HG22      VAL  72  -0.008   4.086   2.810
  574   HG23  VAL  72          HG23      VAL  72  -1.149   5.415   2.602
  575    H    ASP  73           HN       ASP  73  -4.350   1.423   3.082
  576    HA   ASP  73           HA       ASP  73  -4.930   0.841   5.845
  577    HB2  ASP  73           HB2      ASP  73  -6.584   1.808   4.221
  578    HB3  ASP  73           HB1      ASP  73  -6.630   0.255   3.398
  579    H    LYS  74           HN       LYS  74  -3.991  -1.087   3.090
  580    HA   LYS  74           HA       LYS  74  -4.450  -3.678   4.271
  581    HB2  LYS  74           HB2      LYS  74  -2.381  -2.934   2.150
  582    HB3  LYS  74           HB1      LYS  74  -2.817  -4.575   2.612
  583    HG2  LYS  74           HG2      LYS  74  -4.550  -2.546   1.192
  584    HG3  LYS  74           HG1      LYS  74  -3.922  -4.055   0.543
  585    HD2  LYS  74           HD2      LYS  74  -5.376  -5.341   2.046
  586    HD3  LYS  74           HD1      LYS  74  -5.935  -3.859   2.826
  587    HE2  LYS  74           HE2      LYS  74  -7.612  -4.669   1.247
  588    HE3  LYS  74           HE1      LYS  74  -6.960  -3.124   0.699
  589    HZ1  LYS  74           HZ1      LYS  74  -6.158  -5.796  -0.330
  590    HZ2  LYS  74           HZ2      LYS  74  -5.567  -4.309  -0.871
  591    HZ3  LYS  74           HZ3      LYS  74  -7.190  -4.707  -1.107
  592    H    LYS  75           HN       LYS  75  -1.901  -1.289   4.479
  593    HA   LYS  75           HA       LYS  75  -0.156  -2.927   6.108
  594    HB2  LYS  75           HB2      LYS  75  -0.063   0.037   5.426
  595    HB3  LYS  75           HB1      LYS  75   1.185  -0.836   6.320
  596    HG2  LYS  75           HG2      LYS  75   1.510  -2.328   4.352
  597    HG3  LYS  75           HG1      LYS  75   0.343  -1.349   3.452
  598    HD2  LYS  75           HD2      LYS  75   1.810   0.604   3.612
  599    HD3  LYS  75           HD1      LYS  75   2.942  -0.293   4.638
  600    HE2  LYS  75           HE2      LYS  75   2.282  -0.889   1.733
  601    HE3  LYS  75           HE1      LYS  75   3.793  -0.230   2.362
  602    HZ1  LYS  75           HZ1      LYS  75   4.121  -2.287   3.591
  603    HZ2  LYS  75           HZ2      LYS  75   3.997  -2.568   1.934
  604    HZ3  LYS  75           HZ3      LYS  75   2.695  -2.926   2.945
  605    H    LEU  76           HN       LEU  76  -2.771  -0.679   6.634
  606    HA   LEU  76           HA       LEU  76  -2.405  -0.451   9.482
  607    HB2  LEU  76           HB2      LEU  76  -4.893  -0.027   7.782
  608    HB3  LEU  76           HB1      LEU  76  -4.757   0.392   9.484
  609    HG   LEU  76           HG       LEU  76  -3.169   1.655   7.217
  610   HD11  LEU  76          HD11      LEU  76  -4.474   3.689   7.637
  611   HD12  LEU  76          HD12      LEU  76  -5.442   2.835   8.841
  612   HD13  LEU  76          HD13      LEU  76  -5.505   2.344   7.147
  613   HD21  LEU  76          HD21      LEU  76  -1.834   1.584   9.266
  614   HD22  LEU  76          HD22      LEU  76  -3.142   2.350  10.170
  615   HD23  LEU  76          HD23      LEU  76  -2.315   3.237   8.890
  616    H    ALA  77           HN       ALA  77  -3.950  -2.702   7.268
  617    HA   ALA  77           HA       ALA  77  -5.151  -4.404   9.226
  618    HB1  ALA  77           HB1      ALA  77  -5.821  -4.475   6.855
  619    HB2  ALA  77           HB2      ALA  77  -5.294  -6.062   7.413
  620    HB3  ALA  77           HB3      ALA  77  -4.225  -5.079   6.407
  621    H    ARG  78           HN       ARG  78  -1.912  -4.100   7.840
  622    HA   ARG  78           HA       ARG  78  -0.748  -6.359   9.173
  623    HB2  ARG  78           HB2      ARG  78   0.608  -3.819   8.143
  624    HB3  ARG  78           HB1      ARG  78   1.442  -5.286   8.655
  625    HG2  ARG  78           HG2      ARG  78  -0.462  -5.059   6.304
  626    HG3  ARG  78           HG1      ARG  78   1.299  -5.107   6.203
  627    HD2  ARG  78           HD2      ARG  78   1.330  -7.378   7.081
  628    HD3  ARG  78           HD1      ARG  78  -0.418  -7.332   7.354
  629    HE   ARG  78           HE       ARG  78  -0.094  -6.794   4.681
  630   HH11  ARG  78          HH11      ARG  78   0.788  -9.488   6.754
  631   HH12  ARG  78          HH12      ARG  78   0.643 -10.653   5.479
  632   HH21  ARG  78          HH21      ARG  78  -0.315  -8.324   3.055
  633   HH22  ARG  78          HH22      ARG  78  -0.025  -9.995   3.400
  634    H    LYS  79           HN       LYS  79  -1.493  -3.050  10.143
  635    HA   LYS  79           HA       LYS  79   0.138  -3.001  12.483
  636    HB2  LYS  79           HB2      LYS  79  -2.266  -1.317  11.709
  637    HB3  LYS  79           HB1      LYS  79  -1.353  -1.057  13.194
  638    HG2  LYS  79           HG2      LYS  79  -0.328  -0.808  10.357
  639    HG3  LYS  79           HG1      LYS  79  -0.639   0.509  11.485
  640    HD2  LYS  79           HD2      LYS  79   1.490  -1.647  11.890
  641    HD3  LYS  79           HD1      LYS  79   1.801  -0.064  11.189
  642    HE2  LYS  79           HE2      LYS  79   2.492   0.061  13.461
  643    HE3  LYS  79           HE1      LYS  79   0.970   0.942  13.377
  644    HZ1  LYS  79           HZ1      LYS  79   1.097  -0.462  15.313
  645    HZ2  LYS  79           HZ2      LYS  79   1.319  -1.836  14.361
  646    HZ3  LYS  79           HZ3      LYS  79  -0.145  -0.989  14.302
  647    H    LEU  80           HN       LEU  80  -2.825  -4.668  11.866
  648    HA   LEU  80           HA       LEU  80  -3.588  -5.150  14.560
  649    HB2  LEU  80           HB2      LEU  80  -3.858  -6.802  12.023
  650    HB3  LEU  80           HB1      LEU  80  -4.297  -7.490  13.573
  651    HG   LEU  80           HG       LEU  80  -6.290  -6.700  12.440
  652   HD11  LEU  80          HD11      LEU  80  -5.674  -4.912  14.803
  653   HD12  LEU  80          HD12      LEU  80  -6.279  -6.571  14.871
  654   HD13  LEU  80          HD13      LEU  80  -7.276  -5.303  14.164
  655   HD21  LEU  80          HD21      LEU  80  -5.307  -4.971  11.008
  656   HD22  LEU  80          HD22      LEU  80  -5.069  -3.924  12.408
  657   HD23  LEU  80          HD23      LEU  80  -6.703  -4.352  11.888
  658    H    GLU  81           HN       GLU  81  -2.778  -6.652  16.056
  659    HA   GLU  81           HA       GLU  81   0.011  -6.693  16.135
  660    HB2  GLU  81           HB2      GLU  81  -2.013  -7.114  18.027
  661    HB3  GLU  81           HB1      GLU  81  -1.252  -8.692  17.955
  662    HG2  GLU  81           HG2      GLU  81   0.016  -6.050  18.726
  663    HG3  GLU  81           HG1      GLU  81  -0.238  -7.465  19.743
  664    H    HIS  82           HN       HIS  82   1.545  -8.276  16.011
  665    HA   HIS  82           HA       HIS  82   1.402 -10.028  13.837
  666    HB2  HIS  82           HB2      HIS  82   3.441  -9.972  16.106
  667    HB3  HIS  82           HB1      HIS  82   3.658 -10.802  14.568
  668    HD1  HIS  82           HD1      HIS  82   4.475  -9.427  12.602
  669    HD2  HIS  82           HD2      HIS  82   3.428  -7.078  15.864
  670    HE1  HIS  82           HE1      HIS  82   5.231  -7.104  12.030
  671    HE2  HIS  82           HE2      HIS  82   4.385  -5.679  13.922
  672    H    HIS  83           HN       HIS  83   0.953 -10.600  17.286
  673    HA   HIS  83           HA       HIS  83  -0.678 -12.875  16.805
  674    HB2  HIS  83           HB2      HIS  83   0.649 -14.569  18.113
  675    HB3  HIS  83           HB1      HIS  83   1.340 -14.160  16.555
  676    HD1  HIS  83           HD1      HIS  83   3.712 -13.380  16.524
  677    HD2  HIS  83           HD2      HIS  83   2.130 -13.443  20.367
  678    HE1  HIS  83           HE1      HIS  83   5.656 -12.984  18.056
  679    HE2  HIS  83           HE2      HIS  83   4.643 -12.839  20.348
  680    H    HIS  84           HN       HIS  84   0.927 -10.726  19.008
  681    HA   HIS  84           HA       HIS  84   0.409  -9.774  20.969
  682    HB2  HIS  84           HB2      HIS  84  -1.934  -9.609  20.110
  683    HB3  HIS  84           HB1      HIS  84  -2.291 -11.181  20.812
  684    HD1  HIS  84           HD1      HIS  84  -1.948  -7.574  21.662
  685    HD2  HIS  84           HD2      HIS  84  -2.539 -11.164  23.677
  686    HE1  HIS  84           HE1      HIS  84  -2.723  -6.938  23.963
  687    HE2  HIS  84           HE2      HIS  84  -3.237  -9.119  25.101
  688    H    HIS  85           HN       HIS  85  -1.290 -12.915  21.438
  689    HA   HIS  85           HA       HIS  85   0.212 -13.492  23.862
  690    HB2  HIS  85           HB2      HIS  85  -2.205 -14.098  23.646
  691    HB3  HIS  85           HB1      HIS  85  -1.808 -15.210  22.342
  692    HD1  HIS  85           HD1      HIS  85  -1.834 -14.886  26.036
  693    HD2  HIS  85           HD2      HIS  85  -0.515 -17.614  23.199
  694    HE1  HIS  85           HE1      HIS  85  -1.373 -16.997  27.306
  695    HE2  HIS  85           HE2      HIS  85  -0.713 -18.674  25.547
  696    H    HIS  86           HN       HIS  86   2.083 -14.524  23.904
  697    HA   HIS  86           HA       HIS  86   3.473 -15.345  21.558
  698    HB2  HIS  86           HB2      HIS  86   4.724 -14.378  23.402
  699    HB3  HIS  86           HB1      HIS  86   4.142 -15.600  24.526
  700    HD1  HIS  86           HD1      HIS  86   5.718 -17.476  24.927
  701    HD2  HIS  86           HD2      HIS  86   6.475 -15.613  21.290
  702    HE1  HIS  86           HE1      HIS  86   7.762 -18.599  24.010
  703    HE2  HIS  86           HE2      HIS  86   8.266 -17.388  21.867
  704    H    HIS  87           HN       HIS  87   3.892 -17.331  20.748
  705    HA   HIS  87           HA       HIS  87   3.287 -19.789  22.251
  706    HB2  HIS  87           HB2      HIS  87   2.603 -19.301  19.308
  707    HB3  HIS  87           HB1      HIS  87   2.544 -20.876  20.094
  708    HD1  HIS  87           HD1      HIS  87   0.431 -18.172  19.180
  709    HD2  HIS  87           HD2      HIS  87   0.617 -20.765  22.414
  710    HE1  HIS  87           HE1      HIS  87  -1.848 -18.084  20.232
  711    HE2  HIS  87           HE2      HIS  87  -1.766 -19.815  22.068
  712   H282  PNS  88          H282      PNS  88   6.459  12.960  -9.068
  713   H281  PNS  88          H281      PNS  88   6.663  12.921 -10.824
  714   H303  PNS  88          H303      PNS  88   3.851  10.575 -10.298
  715   H302  PNS  88          H302      PNS  88   4.130  12.179  -9.624
  716   H301  PNS  88          H301      PNS  88   4.462  11.880 -11.335
  717   H313  PNS  88          H313      PNS  88   5.477  11.072  -7.857
  718   H312  PNS  88          H312      PNS  88   5.234   9.500  -8.622
  719   H311  PNS  88          H311      PNS  88   6.874  10.078  -8.287
  720    H32  PNS  88           H32      PNS  88   6.850  10.695 -11.964
  721    H33  PNS  88           H33      PNS  88   7.327   8.478 -10.334
  722    H36  PNS  88           H36      PNS  88   5.324   8.191  -9.873
  723   H372  PNS  88          H372      PNS  88   3.092   7.657 -11.548
  724   H371  PNS  88          H371      PNS  88   4.384   6.500 -11.900
  725   H382  PNS  88          H382      PNS  88   2.738   5.705 -10.187
  726   H381  PNS  88          H381      PNS  88   4.415   5.715  -9.636
  727    H41  PNS  88           H41      PNS  88   1.459   7.746  -9.647
  728   H422  PNS  88          H422      PNS  88   2.262   9.282  -7.302
  729   H421  PNS  88          H421      PNS  88   0.754   9.415  -8.207
  730   H431  PNS  88          H431      PNS  88  -0.108   7.401  -7.126
  731   H432  PNS  88          H432      PNS  88   0.350   8.592  -5.921
  732    H44  PNS  88           H44      PNS  88   3.016   7.036  -5.970
  Start of MODEL   11
    1    H1   MET   1           HT1      MET   1 -13.347   1.309   6.537
    2    H2   MET   1           HT2      MET   1 -13.616   2.943   6.206
    3    H3   MET   1           HT3      MET   1 -12.989   2.484   7.703
    4    HA   MET   1           HA       MET   1 -10.984   1.683   6.673
    5    HB2  MET   1           HB2      MET   1 -12.273   2.735   4.112
    6    HB3  MET   1           HB1      MET   1 -10.581   2.272   4.243
    7    HG2  MET   1           HG2      MET   1 -11.210  -0.038   4.696
    8    HG3  MET   1           HG1      MET   1 -12.918   0.402   4.688
    9    HE1  MET   1           HE1      MET   1  -9.638   0.067   2.454
   10    HE2  MET   1           HE2      MET   1 -10.114   1.741   2.163
   11    HE3  MET   1           HE3      MET   1 -10.265   0.544   0.876
   12    HA   PRO   2           HA       PRO   2 -10.340   6.087   7.764
   13    HB2  PRO   2           HB2      PRO   2  -8.177   5.816   9.308
   14    HB3  PRO   2           HB1      PRO   2  -9.714   5.101   9.824
   15    HG2  PRO   2           HG2      PRO   2  -7.354   3.756   8.492
   16    HG3  PRO   2           HG1      PRO   2  -8.290   3.217   9.905
   17    HD2  PRO   2           HD2      PRO   2  -8.742   2.334   7.296
   18    HD3  PRO   2           HD1      PRO   2  -9.964   2.300   8.588
   19    H    THR   3           HN       THR   3  -9.432   4.973   5.169
   20    HA   THR   3           HA       THR   3  -6.604   5.242   4.875
   21    HB   THR   3           HB       THR   3  -7.105   4.650   2.471
   22    HG1  THR   3           HG1      THR   3  -9.295   4.183   1.945
   23   HG21  THR   3          HG21      THR   3  -6.779   2.867   4.163
   24   HG22  THR   3          HG22      THR   3  -7.957   2.386   2.940
   25   HG23  THR   3          HG23      THR   3  -8.508   2.906   4.536
   26    H    LEU   4           HN       LEU   4  -9.126   6.805   2.819
   27    HA   LEU   4           HA       LEU   4  -7.439   8.887   1.930
   28    HB2  LEU   4           HB2      LEU   4 -10.481   8.737   1.974
   29    HB3  LEU   4           HB1      LEU   4  -9.541   9.887   1.031
   30    HG   LEU   4           HG       LEU   4  -9.496   6.865   0.631
   31   HD11  LEU   4          HD11      LEU   4 -10.756   7.259  -1.429
   32   HD12  LEU   4          HD12      LEU   4 -10.872   8.981  -1.049
   33   HD13  LEU   4          HD13      LEU   4 -11.663   7.789  -0.012
   34   HD21  LEU   4          HD21      LEU   4  -7.361   7.905  -0.011
   35   HD22  LEU   4          HD22      LEU   4  -8.212   9.061  -1.039
   36   HD23  LEU   4          HD23      LEU   4  -8.236   7.339  -1.433
   37    H    ASP   5           HN       ASP   5  -9.817   8.648   4.515
   38    HA   ASP   5           HA       ASP   5 -10.084  11.262   5.392
   39    HB2  ASP   5           HB2      ASP   5 -11.451   9.390   6.247
   40    HB3  ASP   5           HB1      ASP   5 -10.052   8.715   7.077
   41    H    ALA   6           HN       ALA   6  -7.635   8.879   6.431
   42    HA   ALA   6           HA       ALA   6  -6.287  10.768   8.181
   43    HB1  ALA   6           HB1      ALA   6  -5.453   7.969   7.355
   44    HB2  ALA   6           HB2      ALA   6  -6.415   8.383   8.776
   45    HB3  ALA   6           HB3      ALA   6  -4.741   8.930   8.658
   46    H    LEU   7           HN       LEU   7  -5.884   9.570   4.890
   47    HA   LEU   7           HA       LEU   7  -3.153  10.366   4.571
   48    HB2  LEU   7           HB2      LEU   7  -5.294   9.630   2.546
   49    HB3  LEU   7           HB1      LEU   7  -3.662  10.069   2.072
   50    HG   LEU   7           HG       LEU   7  -4.379   7.672   3.813
   51   HD11  LEU   7          HD11      LEU   7  -5.153   7.370   1.503
   52   HD12  LEU   7          HD12      LEU   7  -3.812   6.290   1.870
   53   HD13  LEU   7          HD13      LEU   7  -3.535   7.735   0.894
   54   HD21  LEU   7          HD21      LEU   7  -2.158   8.544   4.359
   55   HD22  LEU   7          HD22      LEU   7  -1.695   8.501   2.656
   56   HD23  LEU   7          HD23      LEU   7  -2.026   6.999   3.523
   57    H    THR   8           HN       THR   8  -6.255  12.008   4.072
   58    HA   THR   8           HA       THR   8  -5.500  14.033   2.321
   59    HB   THR   8           HB       THR   8  -7.610  14.183   4.516
   60    HG1  THR   8           HG1      THR   8  -8.516  12.788   3.216
   61   HG21  THR   8          HG21      THR   8  -7.279  15.924   2.045
   62   HG22  THR   8          HG22      THR   8  -7.067  16.452   3.717
   63   HG23  THR   8          HG23      THR   8  -8.659  15.955   3.139
   64    HA   PRO   9           HA       PRO   9  -4.152  16.906   6.128
   65    HB2  PRO   9           HB2      PRO   9  -3.500  14.805   8.184
   66    HB3  PRO   9           HB1      PRO   9  -4.188  16.422   8.405
   67    HG2  PRO   9           HG2      PRO   9  -5.740  14.274   8.617
   68    HG3  PRO   9           HG1      PRO   9  -6.345  15.726   7.785
   69    HD2  PRO   9           HD2      PRO   9  -5.257  13.169   6.584
   70    HD3  PRO   9           HD1      PRO   9  -6.691  14.109   6.116
   71    H    ILE  10           HN       ILE  10  -2.718  13.707   5.483
   72    HA   ILE  10           HA       ILE  10   0.004  14.380   6.022
   73    HB   ILE  10           HB       ILE  10  -1.028  12.295   4.041
   74   HG12  ILE  10          HG12      ILE  10  -1.816  11.916   6.402
   75   HG13  ILE  10          HG11      ILE  10  -0.801  10.619   5.789
   76   HG21  ILE  10          HG21      ILE  10   1.757  12.603   5.248
   77   HG22  ILE  10          HG22      ILE  10   1.310  12.836   3.556
   78   HG23  ILE  10          HG23      ILE  10   1.222  11.232   4.276
   79   HD11  ILE  10          HD11      ILE  10   0.099  12.800   7.675
   80   HD12  ILE  10          HD12      ILE  10   1.076  11.447   7.093
   81   HD13  ILE  10          HD13      ILE  10  -0.328  11.146   8.116
   82    H    PHE  11           HN       PHE  11  -1.880  14.297   2.965
   83    HA   PHE  11           HA       PHE  11   0.249  15.208   1.286
   84    HB2  PHE  11           HB2      PHE  11  -2.761  15.021   0.846
   85    HB3  PHE  11           HB1      PHE  11  -1.657  15.568  -0.407
   86    HD1  PHE  11           HD2      PHE  11  -1.862  12.651   1.983
   87    HD2  PHE  11           HD1      PHE  11  -1.135  13.946  -2.019
   88    HE1  PHE  11           HE2      PHE  11  -1.553  10.316   1.292
   89    HE2  PHE  11           HE1      PHE  11  -0.826  11.601  -2.698
   90    HZ   PHE  11           HZ       PHE  11  -1.035   9.789  -1.056
   91    H    ARG  12           HN       ARG  12  -2.601  16.819   2.706
   92    HA   ARG  12           HA       ARG  12  -2.239  19.425   1.796
   93    HB2  ARG  12           HB2      ARG  12  -3.535  18.228   4.239
   94    HB3  ARG  12           HB1      ARG  12  -3.312  19.971   4.212
   95    HG2  ARG  12           HG2      ARG  12  -4.629  20.123   2.130
   96    HG3  ARG  12           HG1      ARG  12  -4.857  18.373   2.140
   97    HD2  ARG  12           HD2      ARG  12  -6.464  18.456   3.788
   98    HD3  ARG  12           HD1      ARG  12  -5.674  19.770   4.650
   99    HE   ARG  12           HE       ARG  12  -6.737  21.346   3.257
  100   HH11  ARG  12          HH11      ARG  12  -7.773  18.109   2.387
  101   HH12  ARG  12          HH12      ARG  12  -9.302  18.638   1.774
  102   HH21  ARG  12          HH21      ARG  12  -8.724  22.019   2.477
  103   HH22  ARG  12          HH22      ARG  12  -9.844  20.861   1.828
  104    H    GLN  13           HN       GLN  13  -0.666  17.793   4.544
  105    HA   GLN  13           HA       GLN  13   0.633  20.112   5.588
  106    HB2  GLN  13           HB2      GLN  13   0.147  18.139   6.978
  107    HB3  GLN  13           HB1      GLN  13   1.202  17.146   5.979
  108    HG2  GLN  13           HG2      GLN  13   3.153  18.496   6.726
  109    HG3  GLN  13           HG1      GLN  13   2.080  19.462   7.742
  110   HE21  GLN  13          HE21      GLN  13   4.372  17.739   8.458
  111   HE22  GLN  13          HE22      GLN  13   3.764  16.615   9.618
  112    H    VAL  14           HN       VAL  14   1.885  17.282   3.805
  113    HA   VAL  14           HA       VAL  14   4.563  18.084   3.692
  114    HB   VAL  14           HB       VAL  14   3.055  16.104   1.928
  115   HG11  VAL  14          HG11      VAL  14   5.138  16.765   0.799
  116   HG12  VAL  14          HG12      VAL  14   5.281  15.116   1.411
  117   HG13  VAL  14          HG13      VAL  14   6.061  16.447   2.272
  118   HG21  VAL  14          HG21      VAL  14   3.001  15.515   4.331
  119   HG22  VAL  14          HG22      VAL  14   4.758  15.645   4.422
  120   HG23  VAL  14          HG23      VAL  14   4.017  14.379   3.439
  121    H    PHE  15           HN       PHE  15   2.013  18.421   1.173
  122    HA   PHE  15           HA       PHE  15   3.786  19.832  -0.657
  123    HB2  PHE  15           HB2      PHE  15   0.761  19.471  -0.733
  124    HB3  PHE  15           HB1      PHE  15   1.713  20.216  -2.016
  125    HD1  PHE  15           HD2      PHE  15   3.548  18.804  -3.127
  126    HD2  PHE  15           HD1      PHE  15   0.455  17.123  -0.715
  127    HE1  PHE  15           HE2      PHE  15   3.942  16.606  -4.126
  128    HE2  PHE  15           HE1      PHE  15   0.864  14.930  -1.715
  129    HZ   PHE  15           HZ       PHE  15   2.611  14.679  -3.414
  130    H    ASP  16           HN       ASP  16   1.696  20.664   1.966
  131    HA   ASP  16           HA       ASP  16   0.880  22.540   2.880
  132    HB2  ASP  16           HB2      ASP  16   3.313  23.157   2.953
  133    HB3  ASP  16           HB1      ASP  16   3.148  23.952   1.392
  134    H    ASP  17           HN       ASP  17  -0.957  22.013   1.454
  135    HA   ASP  17           HA       ASP  17  -1.866  24.272  -0.090
  136    HB2  ASP  17           HB2      ASP  17  -0.466  23.062  -1.777
  137    HB3  ASP  17           HB1      ASP  17  -1.438  21.616  -1.545
  138    H    ASP  18           HN       ASP  18  -3.858  24.484   0.592
  139    HA   ASP  18           HA       ASP  18  -5.420  22.437   1.836
  140    HB2  ASP  18           HB2      ASP  18  -5.474  24.773   2.605
  141    HB3  ASP  18           HB1      ASP  18  -6.120  25.297   1.052
  142    H    SER  19           HN       SER  19  -5.148  23.468  -1.465
  143    HA   SER  19           HA       SER  19  -7.869  22.848  -2.254
  144    HB2  SER  19           HB2      SER  19  -5.398  23.321  -3.978
  145    HB3  SER  19           HB1      SER  19  -7.063  23.257  -4.569
  146    HG   SER  19           HG       SER  19  -6.324  25.043  -2.518
  147    H    ILE  20           HN       ILE  20  -5.205  20.893  -1.509
  148    HA   ILE  20           HA       ILE  20  -5.676  18.716  -3.322
  149    HB   ILE  20           HB       ILE  20  -4.255  18.686  -0.615
  150   HG12  ILE  20          HG12      ILE  20  -3.113  18.933  -3.437
  151   HG13  ILE  20          HG11      ILE  20  -3.219  20.244  -2.268
  152   HG21  ILE  20          HG21      ILE  20  -3.193  16.582  -1.409
  153   HG22  ILE  20          HG22      ILE  20  -4.187  16.623  -2.865
  154   HG23  ILE  20          HG23      ILE  20  -4.943  16.404  -1.285
  155   HD11  ILE  20          HD11      ILE  20  -1.543  17.759  -2.022
  156   HD12  ILE  20          HD12      ILE  20  -1.662  19.035  -0.808
  157   HD13  ILE  20          HD13      ILE  20  -0.985  19.386  -2.397
  158    H    VAL  21           HN       VAL  21  -7.616  17.833  -3.345
  159    HA   VAL  21           HA       VAL  21  -8.796  16.736  -0.866
  160    HB   VAL  21           HB       VAL  21 -10.351  17.488  -3.393
  161   HG11  VAL  21          HG11      VAL  21 -12.352  17.198  -1.984
  162   HG12  VAL  21          HG12      VAL  21 -11.336  16.786  -0.601
  163   HG13  VAL  21          HG13      VAL  21 -11.384  15.720  -2.007
  164   HG21  VAL  21          HG21      VAL  21 -10.141  19.125  -0.835
  165   HG22  VAL  21          HG22      VAL  21 -11.229  19.461  -2.184
  166   HG23  VAL  21          HG23      VAL  21  -9.483  19.570  -2.412
  167    H    LEU  22           HN       LEU  22  -8.177  14.640  -0.928
  168    HA   LEU  22           HA       LEU  22  -7.114  13.379  -3.211
  169    HB2  LEU  22           HB2      LEU  22  -7.949  12.202  -0.540
  170    HB3  LEU  22           HB1      LEU  22  -7.033  11.330  -1.765
  171    HG   LEU  22           HG       LEU  22  -6.097  13.783  -0.217
  172   HD11  LEU  22          HD11      LEU  22  -4.436  12.259   0.738
  173   HD12  LEU  22          HD12      LEU  22  -5.138  10.907  -0.152
  174   HD13  LEU  22          HD13      LEU  22  -6.077  11.728   1.099
  175   HD21  LEU  22          HD21      LEU  22  -5.227  13.908  -2.504
  176   HD22  LEU  22          HD22      LEU  22  -4.636  12.248  -2.403
  177   HD23  LEU  22          HD23      LEU  22  -3.932  13.504  -1.381
  178    H    THR  23           HN       THR  23  -7.962  12.208  -4.704
  179    HA   THR  23           HA       THR  23 -10.558  10.818  -4.380
  180    HB   THR  23           HB       THR  23 -10.835  10.929  -6.848
  181    HG1  THR  23           HG1      THR  23  -9.333  12.470  -7.954
  182   HG21  THR  23          HG21      THR  23 -11.315  13.338  -7.143
  183   HG22  THR  23          HG22      THR  23 -10.375  13.712  -5.695
  184   HG23  THR  23          HG23      THR  23 -11.868  12.775  -5.564
  185    H    ARG  24           HN       ARG  24 -10.522   8.773  -5.790
  186    HA   ARG  24           HA       ARG  24  -8.225   7.190  -5.323
  187    HB2  ARG  24           HB2      ARG  24 -10.647   6.711  -7.100
  188    HB3  ARG  24           HB1      ARG  24  -9.349   5.538  -6.936
  189    HG2  ARG  24           HG2      ARG  24 -11.104   4.837  -5.493
  190    HG3  ARG  24           HG1      ARG  24  -9.804   5.440  -4.468
  191    HD2  ARG  24           HD2      ARG  24 -11.029   7.516  -4.076
  192    HD3  ARG  24           HD1      ARG  24 -12.285   7.024  -5.219
  193    HE   ARG  24           HE       ARG  24 -11.984   5.091  -3.156
  194   HH11  ARG  24          HH11      ARG  24 -13.352   8.291  -3.673
  195   HH12  ARG  24          HH12      ARG  24 -14.596   8.067  -2.486
  196   HH21  ARG  24          HH21      ARG  24 -13.601   4.837  -1.615
  197   HH22  ARG  24          HH22      ARG  24 -14.727   6.121  -1.319
  198    H    GLU  25           HN       GLU  25  -8.965   9.405  -7.887
  199    HA   GLU  25           HA       GLU  25  -6.983   8.205  -9.721
  200    HB2  GLU  25           HB2      GLU  25  -7.975   9.670 -11.457
  201    HB3  GLU  25           HB1      GLU  25  -9.169   8.616 -10.706
  202    HG2  GLU  25           HG2      GLU  25  -9.888  10.543  -9.266
  203    HG3  GLU  25           HG1      GLU  25  -8.785  11.579 -10.170
  204    H    THR  26           HN       THR  26  -7.045  10.581  -7.320
  205    HA   THR  26           HA       THR  26  -5.379  12.601  -8.385
  206    HB   THR  26           HB       THR  26  -5.506  11.547  -5.519
  207    HG1  THR  26           HG1      THR  26  -7.224  12.967  -6.960
  208   HG21  THR  26          HG21      THR  26  -3.394  12.801  -5.854
  209   HG22  THR  26          HG22      THR  26  -4.513  13.708  -4.838
  210   HG23  THR  26          HG23      THR  26  -4.305  14.161  -6.529
  211    H    SER  27           HN       SER  27  -3.338  12.456  -9.117
  212    HA   SER  27           HA       SER  27  -1.493  10.346  -8.218
  213    HB2  SER  27           HB2      SER  27  -0.916   9.864 -10.581
  214    HB3  SER  27           HB1      SER  27  -2.634   9.578 -10.301
  215    HG   SER  27           HG       SER  27  -2.914  10.882 -11.910
  216    H    ALA  28           HN       ALA  28   0.731  10.769  -9.199
  217    HA   ALA  28           HA       ALA  28   1.819  13.246  -8.599
  218    HB1  ALA  28           HB1      ALA  28   3.793  12.399  -9.789
  219    HB2  ALA  28           HB2      ALA  28   2.814  11.131 -10.526
  220    HB3  ALA  28           HB3      ALA  28   3.069  11.146  -8.781
  221    H    ASN  29           HN       ASN  29   0.352  12.107 -11.561
  222    HA   ASN  29           HA       ASN  29   1.196  14.191 -13.336
  223    HB2  ASN  29           HB2      ASN  29   0.556  11.988 -14.196
  224    HB3  ASN  29           HB1      ASN  29  -1.036  12.115 -13.469
  225   HD21  ASN  29          HD21      ASN  29  -2.626  13.365 -14.502
  226   HD22  ASN  29          HD22      ASN  29  -2.449  13.937 -16.120
  227    H    ASP  30           HN       ASP  30  -1.498  13.686 -11.156
  228    HA   ASP  30           HA       ASP  30  -3.349  15.523 -12.336
  229    HB2  ASP  30           HB2      ASP  30  -4.009  13.449 -11.143
  230    HB3  ASP  30           HB1      ASP  30  -3.355  14.108  -9.644
  231    H    ILE  31           HN       ILE  31  -0.779  15.964 -10.059
  232    HA   ILE  31           HA       ILE  31  -1.801  18.654  -9.304
  233    HB   ILE  31           HB       ILE  31  -0.161  16.732  -7.573
  234   HG12  ILE  31          HG12      ILE  31  -2.951  17.914  -7.182
  235   HG13  ILE  31          HG11      ILE  31  -2.585  16.228  -7.523
  236   HG21  ILE  31          HG21      ILE  31   0.718  19.015  -7.300
  237   HG22  ILE  31          HG22      ILE  31  -0.102  18.473  -5.838
  238   HG23  ILE  31          HG23      ILE  31  -0.905  19.603  -6.929
  239   HD11  ILE  31          HD11      ILE  31  -1.938  17.739  -4.988
  240   HD12  ILE  31          HD12      ILE  31  -1.498  16.061  -5.305
  241   HD13  ILE  31          HD13      ILE  31  -3.195  16.526  -5.212
  242    H    ASP  32           HN       ASP  32  -0.565  20.214 -10.180
  243    HA   ASP  32           HA       ASP  32   1.798  19.700 -11.669
  244    HB2  ASP  32           HB2      ASP  32   0.103  21.487 -12.196
  245    HB3  ASP  32           HB1      ASP  32   0.647  22.390 -10.787
  246    H    ALA  33           HN       ALA  33   1.233  21.035  -8.433
  247    HA   ALA  33           HA       ALA  33   4.015  21.679  -7.946
  248    HB1  ALA  33           HB1      ALA  33   1.696  21.516  -5.995
  249    HB2  ALA  33           HB2      ALA  33   2.196  22.960  -6.880
  250    HB3  ALA  33           HB3      ALA  33   3.275  22.244  -5.678
  251    H    TRP  34           HN       TRP  34   2.720  18.704  -8.343
  252    HA   TRP  34           HA       TRP  34   4.136  17.379  -6.153
  253    HB2  TRP  34           HB2      TRP  34   1.766  16.756  -7.208
  254    HB3  TRP  34           HB1      TRP  34   2.721  15.966  -8.449
  255    HD1  TRP  34           HD1      TRP  34   4.940  14.823  -6.209
  256    HE1  TRP  34           HE1      TRP  34   4.221  12.784  -4.810
  257    HE3  TRP  34           HE3      TRP  34  -0.121  15.114  -6.856
  258    HZ2  TRP  34           HZ2      TRP  34   1.850  11.472  -4.099
  259    HZ3  TRP  34           HZ3      TRP  34  -1.547  13.430  -5.784
  260    HH2  TRP  34           HH2      TRP  34  -0.578  11.644  -4.435
  261    H    ASP  35           HN       ASP  35   6.246  16.876  -6.451
  262    HA   ASP  35           HA       ASP  35   7.300  16.093  -9.118
  263    HB2  ASP  35           HB2      ASP  35   8.608  17.774  -6.937
  264    HB3  ASP  35           HB1      ASP  35   9.593  16.887  -8.097
  265    H    SER  36           HN       SER  36   9.232  14.560  -8.893
  266    HA   SER  36           HA       SER  36   8.493  12.307  -7.385
  267    HB2  SER  36           HB2      SER  36  11.332  12.241  -8.216
  268    HB3  SER  36           HB1      SER  36   9.999  11.208  -8.716
  269    H    LEU  37           HN       LEU  37  10.762  14.911  -6.805
  270    HA   LEU  37           HA       LEU  37  12.016  14.065  -4.437
  271    HB2  LEU  37           HB2      LEU  37  11.250  16.861  -5.370
  272    HB3  LEU  37           HB1      LEU  37  12.125  16.590  -3.877
  273    HG   LEU  37           HG       LEU  37  13.726  17.262  -5.521
  274   HD11  LEU  37          HD11      LEU  37  14.018  14.266  -5.190
  275   HD12  LEU  37          HD12      LEU  37  14.494  15.493  -4.014
  276   HD13  LEU  37          HD13      LEU  37  15.303  15.419  -5.576
  277   HD21  LEU  37          HD21      LEU  37  12.719  15.075  -7.352
  278   HD22  LEU  37          HD22      LEU  37  14.089  16.146  -7.660
  279   HD23  LEU  37          HD23      LEU  37  12.462  16.811  -7.548
  280    H    SER  38           HN       SER  38   8.889  15.637  -4.958
  281    HA   SER  38           HA       SER  38   8.191  16.144  -2.260
  282    HB2  SER  38           HB2      SER  38   6.274  15.703  -4.592
  283    HB3  SER  38           HB1      SER  38   5.966  16.621  -3.110
  284    HG   SER  38           HG       SER  38   7.756  17.998  -3.816
  285    H    HIS  39           HN       HIS  39   7.623  13.395  -4.433
  286    HA   HIS  39           HA       HIS  39   5.951  11.802  -2.865
  287    HB2  HIS  39           HB2      HIS  39   8.090  11.019  -4.869
  288    HB3  HIS  39           HB1      HIS  39   7.099   9.805  -4.057
  289    HD2  HIS  39           HD2      HIS  39   6.842  12.428  -6.860
  290    HE1  HIS  39           HE1      HIS  39   3.179  10.362  -6.552
  291    HE2  HIS  39           HE2      HIS  39   4.463  12.161  -7.783
  292    H    MET  40           HN       MET  40   9.519  12.003  -2.791
  293    HA   MET  40           HA       MET  40   9.904   9.863  -0.997
  294    HB2  MET  40           HB2      MET  40  11.656  12.289  -1.535
  295    HB3  MET  40           HB1      MET  40  12.162  10.900  -0.569
  296    HG2  MET  40           HG2      MET  40  11.501  10.953  -3.523
  297    HG3  MET  40           HG1      MET  40  13.053  10.595  -2.764
  298    HE1  MET  40           HE1      MET  40  11.866   8.660  -0.285
  299    HE2  MET  40           HE2      MET  40  13.371   8.323  -1.142
  300    HE3  MET  40           HE3      MET  40  12.126   7.081  -1.021
  301    H    ASN  41           HN       ASN  41   9.094  13.224  -0.443
  302    HA   ASN  41           HA       ASN  41   9.334  13.166   2.418
  303    HB2  ASN  41           HB2      ASN  41   7.770  15.070   0.622
  304    HB3  ASN  41           HB1      ASN  41   8.034  15.301   2.346
  305   HD21  ASN  41          HD21      ASN  41   9.455  15.501  -0.811
  306   HD22  ASN  41          HD22      ASN  41  10.919  16.278  -0.326
  307    H    LEU  42           HN       LEU  42   6.723  12.460   0.106
  308    HA   LEU  42           HA       LEU  42   4.556  12.144   1.913
  309    HB2  LEU  42           HB2      LEU  42   5.153  11.143  -0.869
  310    HB3  LEU  42           HB1      LEU  42   3.918  10.263   0.004
  311    HG   LEU  42           HG       LEU  42   3.033  12.034  -1.534
  312   HD11  LEU  42          HD11      LEU  42   1.680  11.219   0.325
  313   HD12  LEU  42          HD12      LEU  42   1.374  12.927   0.014
  314   HD13  LEU  42          HD13      LEU  42   2.371  12.447   1.395
  315   HD21  LEU  42          HD21      LEU  42   4.294  13.937   0.442
  316   HD22  LEU  42          HD22      LEU  42   3.201  14.379  -0.870
  317   HD23  LEU  42          HD23      LEU  42   4.783  13.698  -1.238
  318    H    ILE  43           HN       ILE  43   6.811   9.732   0.562
  319    HA   ILE  43           HA       ILE  43   5.797   7.459   1.794
  320    HB   ILE  43           HB       ILE  43   8.513   8.123   0.625
  321   HG12  ILE  43          HG12      ILE  43   7.947   6.270  -0.970
  322   HG13  ILE  43          HG11      ILE  43   6.436   6.003  -0.112
  323   HG21  ILE  43          HG21      ILE  43   9.122   6.688   2.507
  324   HG22  ILE  43          HG22      ILE  43   9.319   5.801   0.994
  325   HG23  ILE  43          HG23      ILE  43   7.916   5.491   2.024
  326   HD11  ILE  43          HD11      ILE  43   6.076   7.194  -2.160
  327   HD12  ILE  43          HD12      ILE  43   7.208   8.451  -1.678
  328   HD13  ILE  43          HD13      ILE  43   5.693   8.241  -0.798
  329    H    VAL  44           HN       VAL  44   8.597   9.493   2.891
  330    HA   VAL  44           HA       VAL  44   9.119   7.986   5.206
  331    HB   VAL  44           HB       VAL  44  10.463   9.875   6.013
  332   HG11  VAL  44          HG11      VAL  44  12.059  10.017   4.121
  333   HG12  VAL  44          HG12      VAL  44  10.830   9.359   3.039
  334   HG13  VAL  44          HG13      VAL  44  11.465   8.369   4.357
  335   HG21  VAL  44          HG21      VAL  44   9.322  11.467   3.686
  336   HG22  VAL  44          HG22      VAL  44  10.630  12.001   4.743
  337   HG23  VAL  44          HG23      VAL  44   9.009  11.765   5.397
  338    H    SER  45           HN       SER  45   6.879  10.689   4.695
  339    HA   SER  45           HA       SER  45   6.119  11.046   7.428
  340    HB2  SER  45           HB2      SER  45   4.634  11.720   4.860
  341    HB3  SER  45           HB1      SER  45   4.115  12.232   6.468
  342    HG   SER  45           HG       SER  45   6.577  12.875   5.211
  343    H    LEU  46           HN       LEU  46   4.867   8.947   4.823
  344    HA   LEU  46           HA       LEU  46   2.588   7.965   6.247
  345    HB2  LEU  46           HB2      LEU  46   4.111   6.660   3.949
  346    HB3  LEU  46           HB1      LEU  46   2.510   6.199   4.502
  347    HG   LEU  46           HG       LEU  46   3.247   8.835   3.156
  348   HD11  LEU  46          HD11      LEU  46   1.864   8.063   1.289
  349   HD12  LEU  46          HD12      LEU  46   1.593   6.520   2.108
  350   HD13  LEU  46          HD13      LEU  46   3.218   6.974   1.585
  351   HD21  LEU  46          HD21      LEU  46   0.855   9.370   3.174
  352   HD22  LEU  46          HD22      LEU  46   1.492   9.223   4.809
  353   HD23  LEU  46          HD23      LEU  46   0.522   7.915   4.125
  354    H    GLU  47           HN       GLU  47   5.944   6.981   5.995
  355    HA   GLU  47           HA       GLU  47   5.741   4.385   7.148
  356    HB2  GLU  47           HB2      GLU  47   8.156   6.218   6.829
  357    HB3  GLU  47           HB1      GLU  47   8.239   4.509   7.267
  358    HG2  GLU  47           HG2      GLU  47   7.066   5.543   4.670
  359    HG3  GLU  47           HG1      GLU  47   8.737   5.026   4.860
  360    H    VAL  48           HN       VAL  48   6.605   7.587   8.489
  361    HA   VAL  48           HA       VAL  48   7.001   6.468  11.126
  362    HB   VAL  48           HB       VAL  48   7.445   8.753  11.885
  363   HG11  VAL  48          HG11      VAL  48   9.483   9.152  10.550
  364   HG12  VAL  48          HG12      VAL  48   8.884   8.055   9.305
  365   HG13  VAL  48          HG13      VAL  48   9.269   7.438  10.914
  366   HG21  VAL  48          HG21      VAL  48   5.871  10.057  10.512
  367   HG22  VAL  48          HG22      VAL  48   6.787   9.666   9.056
  368   HG23  VAL  48          HG23      VAL  48   7.512  10.676  10.312
  369    H    HIS  49           HN       HIS  49   4.425   8.515   9.659
  370    HA   HIS  49           HA       HIS  49   3.018   8.975  12.096
  371    HB2  HIS  49           HB2      HIS  49   2.205   9.311   9.188
  372    HB3  HIS  49           HB1      HIS  49   1.059   9.609  10.491
  373    HD1  HIS  49           HD1      HIS  49   1.207  11.813  11.691
  374    HD2  HIS  49           HD2      HIS  49   4.411  11.201   9.123
  375    HE1  HIS  49           HE1      HIS  49   2.405  14.014  11.575
  376    HE2  HIS  49           HE2      HIS  49   4.259  13.656   9.906
  377    H    TYR  50           HN       TYR  50   2.497   6.624   9.472
  378    HA   TYR  50           HA       TYR  50   0.375   5.270  10.990
  379    HB2  TYR  50           HB2      TYR  50   1.511   4.636   8.228
  380    HB3  TYR  50           HB1      TYR  50   0.102   3.873   8.959
  381    HD1  TYR  50           HD2      TYR  50   1.405   7.021   7.523
  382    HD2  TYR  50           HD1      TYR  50  -2.062   4.981   8.954
  383    HE1  TYR  50           HE2      TYR  50  -0.015   8.771   6.574
  384    HE2  TYR  50           HE1      TYR  50  -3.483   6.742   8.010
  385    HH   TYR  50           HH       TYR  50  -2.266   9.114   5.870
  386    H    LYS  51           HN       LYS  51   3.699   5.173  10.903
  387    HA   LYS  51           HA       LYS  51   5.364   3.684  11.086
  388    HB2  LYS  51           HB2      LYS  51   5.120   2.135  13.193
  389    HB3  LYS  51           HB1      LYS  51   5.234   3.872  13.367
  390    HG2  LYS  51           HG2      LYS  51   3.587   3.231  14.897
  391    HG3  LYS  51           HG1      LYS  51   2.693   3.898  13.532
  392    HD2  LYS  51           HD2      LYS  51   2.280   1.545  12.727
  393    HD3  LYS  51           HD1      LYS  51   3.064   0.950  14.196
  394    HE2  LYS  51           HE2      LYS  51   1.344   2.078  15.572
  395    HE3  LYS  51           HE1      LYS  51   0.572   2.693  14.106
  396    HZ1  LYS  51           HZ1      LYS  51   0.251   0.350  13.431
  397    HZ2  LYS  51           HZ2      LYS  51  -0.590   0.780  14.831
  398    HZ3  LYS  51           HZ3      LYS  51   0.827  -0.133  14.942
  399    H    ILE  52           HN       ILE  52   4.008   3.014   8.986
  400    HA   ILE  52           HA       ILE  52   3.823   0.056   8.889
  401    HB   ILE  52           HB       ILE  52   2.629   0.339   6.712
  402   HG12  ILE  52          HG12      ILE  52   2.711   3.333   7.352
  403   HG13  ILE  52          HG11      ILE  52   3.520   2.535   6.005
  404   HG21  ILE  52          HG21      ILE  52   1.283   1.791   9.022
  405   HG22  ILE  52          HG22      ILE  52   1.342   0.045   8.787
  406   HG23  ILE  52          HG23      ILE  52   0.464   1.055   7.642
  407   HD11  ILE  52          HD11      ILE  52   0.536   2.793   6.398
  408   HD12  ILE  52          HD12      ILE  52   1.325   1.964   5.052
  409   HD13  ILE  52          HD13      ILE  52   1.534   3.702   5.263
  410    H    LYS  53           HN       LYS  53   4.384  -0.461   6.261
  411    HA   LYS  53           HA       LYS  53   6.984   0.748   5.640
  412    HB2  LYS  53           HB2      LYS  53   7.395  -1.146   7.248
  413    HB3  LYS  53           HB1      LYS  53   6.661  -2.261   6.104
  414    HG2  LYS  53           HG2      LYS  53   9.050  -0.588   5.283
  415    HG3  LYS  53           HG1      LYS  53   9.282  -2.044   6.252
  416    HD2  LYS  53           HD2      LYS  53   8.278  -3.423   4.497
  417    HD3  LYS  53           HD1      LYS  53   7.867  -1.990   3.554
  418    HE2  LYS  53           HE2      LYS  53  10.259  -1.503   3.248
  419    HE3  LYS  53           HE1      LYS  53  10.679  -2.932   4.198
  420    HZ1  LYS  53           HZ1      LYS  53   9.163  -2.938   1.646
  421    HZ2  LYS  53           HZ2      LYS  53   9.572  -4.305   2.548
  422    HZ3  LYS  53           HZ3      LYS  53  10.784  -3.371   1.831
  423    H    PHE  54           HN       PHE  54   6.364   1.486   3.655
  424    HA   PHE  54           HA       PHE  54   5.423  -0.332   1.558
  425    HB2  PHE  54           HB2      PHE  54   6.453   2.549   1.376
  426    HB3  PHE  54           HB1      PHE  54   5.826   1.623   0.023
  427    HD1  PHE  54           HD1      PHE  54   4.944   3.467   3.076
  428    HD2  PHE  54           HD2      PHE  54   3.388   1.293  -0.270
  429    HE1  PHE  54           HE1      PHE  54   2.721   4.389   3.505
  430    HE2  PHE  54           HE2      PHE  54   1.163   2.224   0.187
  431    HZ   PHE  54           HZ       PHE  54   0.823   3.769   2.067
  432    H    ALA  55           HN       ALA  55   6.748  -0.983  -0.174
  433    HA   ALA  55           HA       ALA  55   9.672  -0.481  -0.038
  434    HB1  ALA  55           HB1      ALA  55   9.852  -2.449  -1.545
  435    HB2  ALA  55           HB2      ALA  55   8.096  -2.638  -1.512
  436    HB3  ALA  55           HB3      ALA  55   9.035  -2.872  -0.037
  437    H    LEU  56           HN       LEU  56  10.660   0.343  -1.991
  438    HA   LEU  56           HA       LEU  56   9.097   2.204  -3.491
  439    HB2  LEU  56           HB2      LEU  56  11.684   2.175  -2.945
  440    HB3  LEU  56           HB1      LEU  56  11.837   1.213  -4.394
  441    HG   LEU  56           HG       LEU  56  12.379   3.649  -4.698
  442   HD11  LEU  56          HD11      LEU  56  11.248   4.010  -6.812
  443   HD12  LEU  56          HD12      LEU  56  10.061   2.761  -6.421
  444   HD13  LEU  56          HD13      LEU  56  11.756   2.328  -6.653
  445   HD21  LEU  56          HD21      LEU  56   9.421   4.135  -4.231
  446   HD22  LEU  56          HD22      LEU  56  10.606   5.334  -4.752
  447   HD23  LEU  56          HD23      LEU  56  10.740   4.605  -3.156
  448    H    GLY  57           HN       GLY  57  10.043  -1.142  -4.054
  449    HA2  GLY  57           HA2      GLY  57   9.284  -1.546  -6.715
  450    HA3  GLY  57           HA1      GLY  57   9.155  -2.745  -5.431
  451    H    GLU  58           HN       GLU  58   7.311  -1.624  -3.739
  452    HA   GLU  58           HA       GLU  58   4.775  -2.082  -4.936
  453    HB2  GLU  58           HB2      GLU  58   5.391  -0.665  -2.300
  454    HB3  GLU  58           HB1      GLU  58   3.801  -1.242  -2.803
  455    HG2  GLU  58           HG2      GLU  58   4.675  -3.569  -2.799
  456    HG3  GLU  58           HG1      GLU  58   6.231  -2.968  -2.218
  457    H    LEU  59           HN       LEU  59   6.591   0.899  -4.167
  458    HA   LEU  59           HA       LEU  59   4.627   2.808  -4.737
  459    HB2  LEU  59           HB2      LEU  59   7.638   2.881  -4.708
  460    HB3  LEU  59           HB1      LEU  59   6.813   4.228  -5.452
  461    HG   LEU  59           HG       LEU  59   7.373   4.802  -3.171
  462   HD11  LEU  59          HD11      LEU  59   5.291   5.686  -4.087
  463   HD12  LEU  59          HD12      LEU  59   5.192   5.478  -2.343
  464   HD13  LEU  59          HD13      LEU  59   4.399   4.322  -3.415
  465   HD21  LEU  59          HD21      LEU  59   6.453   3.638  -1.221
  466   HD22  LEU  59          HD22      LEU  59   7.498   2.577  -2.164
  467   HD23  LEU  59          HD23      LEU  59   5.744   2.406  -2.272
  468    H    GLN  60           HN       GLN  60   6.939   1.219  -6.921
  469    HA   GLN  60           HA       GLN  60   6.207   2.645  -9.274
  470    HB2  GLN  60           HB2      GLN  60   7.508  -0.090  -8.963
  471    HB3  GLN  60           HB1      GLN  60   7.405   0.799 -10.478
  472    HG2  GLN  60           HG2      GLN  60   8.840   1.844  -8.019
  473    HG3  GLN  60           HG1      GLN  60   9.630   0.924  -9.295
  474   HE21  GLN  60          HE21      GLN  60  11.038   2.669  -9.707
  475   HE22  GLN  60          HE22      GLN  60  10.519   4.085 -10.547
  476    H    LYS  61           HN       LYS  61   4.765  -0.047  -7.597
  477    HA   LYS  61           HA       LYS  61   3.038  -0.876  -9.790
  478    HB2  LYS  61           HB2      LYS  61   2.856  -1.617  -6.834
  479    HB3  LYS  61           HB1      LYS  61   2.004  -2.403  -8.160
  480    HG2  LYS  61           HG2      LYS  61   4.959  -2.474  -7.545
  481    HG3  LYS  61           HG1      LYS  61   3.818  -3.820  -7.534
  482    HD2  LYS  61           HD2      LYS  61   3.575  -3.564 -10.023
  483    HD3  LYS  61           HD1      LYS  61   4.793  -2.281  -9.981
  484    HE2  LYS  61           HE2      LYS  61   5.177  -5.213  -9.305
  485    HE3  LYS  61           HE1      LYS  61   5.887  -4.318 -10.651
  486    HZ1  LYS  61           HZ1      LYS  61   6.489  -3.963  -7.766
  487    HZ2  LYS  61           HZ2      LYS  61   7.087  -2.962  -8.984
  488    HZ3  LYS  61           HZ3      LYS  61   7.519  -4.592  -8.947
  489    H    LEU  62           HN       LEU  62   3.004   1.651  -7.483
  490    HA   LEU  62           HA       LEU  62   0.104   1.977  -7.404
  491    HB2  LEU  62           HB2      LEU  62   2.169   4.041  -6.537
  492    HB3  LEU  62           HB1      LEU  62   0.484   3.929  -6.048
  493    HG   LEU  62           HG       LEU  62   2.809   2.188  -5.155
  494   HD11  LEU  62          HD11      LEU  62   2.588   4.320  -3.984
  495   HD12  LEU  62          HD12      LEU  62   2.260   2.964  -2.909
  496   HD13  LEU  62          HD13      LEU  62   0.921   3.928  -3.544
  497   HD21  LEU  62          HD21      LEU  62  -0.096   1.692  -4.462
  498   HD22  LEU  62          HD22      LEU  62   1.304   0.816  -3.844
  499   HD23  LEU  62          HD23      LEU  62   0.883   0.705  -5.548
  500    H    LYS  63           HN       LYS  63  -1.010   3.502  -8.615
  501    HA   LYS  63           HA       LYS  63   0.472   5.090 -10.642
  502    HB2  LYS  63           HB2      LYS  63  -0.925   3.310 -11.646
  503    HB3  LYS  63           HB1      LYS  63  -2.336   3.899 -10.777
  504    HG2  LYS  63           HG2      LYS  63  -2.215   6.026 -12.062
  505    HG3  LYS  63           HG1      LYS  63  -0.829   5.382 -12.952
  506    HD2  LYS  63           HD2      LYS  63  -2.258   3.540 -13.814
  507    HD3  LYS  63           HD1      LYS  63  -3.639   4.212 -12.939
  508    HE2  LYS  63           HE2      LYS  63  -3.451   6.291 -14.301
  509    HE3  LYS  63           HE1      LYS  63  -2.113   5.563 -15.197
  510    HZ1  LYS  63           HZ1      LYS  63  -3.617   3.829 -15.946
  511    HZ2  LYS  63           HZ2      LYS  63  -4.193   5.353 -16.385
  512    HZ3  LYS  63           HZ3      LYS  63  -4.895   4.530 -15.086
  513    H    ASN  64           HN       ASN  64  -2.016   5.014  -8.177
  514    HA   ASN  64           HA       ASN  64  -2.188   7.897  -8.011
  515    HB2  ASN  64           HB2      ASN  64  -4.765   7.799  -8.306
  516    HB3  ASN  64           HB1      ASN  64  -3.783   7.706  -9.758
  517   HD21  ASN  64          HD21      ASN  64  -4.603   5.071  -7.458
  518   HD22  ASN  64          HD22      ASN  64  -5.422   4.113  -8.627
  519    H    VAL  65           HN       VAL  65  -4.127   8.396  -6.317
  520    HA   VAL  65           HA       VAL  65  -3.193   7.275  -3.851
  521    HB   VAL  65           HB       VAL  65  -5.394   9.330  -4.392
  522   HG11  VAL  65          HG11      VAL  65  -5.242   9.971  -1.997
  523   HG12  VAL  65          HG12      VAL  65  -4.135   8.626  -1.706
  524   HG13  VAL  65          HG13      VAL  65  -5.803   8.307  -2.181
  525   HG21  VAL  65          HG21      VAL  65  -3.714  11.000  -3.686
  526   HG22  VAL  65          HG22      VAL  65  -3.132  10.071  -5.068
  527   HG23  VAL  65          HG23      VAL  65  -2.523   9.717  -3.451
  528    H    GLY  66           HN       GLY  66  -5.681   6.331  -6.009
  529    HA2  GLY  66           HA2      GLY  66  -7.410   4.897  -4.271
  530    HA3  GLY  66           HA1      GLY  66  -7.092   4.515  -5.961
  531    H    ASP  67           HN       ASP  67  -4.263   4.170  -5.687
  532    HA   ASP  67           HA       ASP  67  -4.049   1.482  -4.727
  533    HB2  ASP  67           HB2      ASP  67  -1.847   3.407  -5.581
  534    HB3  ASP  67           HB1      ASP  67  -1.659   1.672  -5.324
  535    H    LEU  68           HN       LEU  68  -2.979   4.688  -3.499
  536    HA   LEU  68           HA       LEU  68  -1.633   3.729  -1.205
  537    HB2  LEU  68           HB2      LEU  68  -2.911   6.401  -1.831
  538    HB3  LEU  68           HB1      LEU  68  -2.318   6.082  -0.217
  539    HG   LEU  68           HG       LEU  68  -0.619   7.308  -1.306
  540   HD11  LEU  68          HD11      LEU  68   1.323   5.817  -1.297
  541   HD12  LEU  68          HD12      LEU  68   0.253   4.413  -1.306
  542   HD13  LEU  68          HD13      LEU  68   0.248   5.521   0.071
  543   HD21  LEU  68          HD21      LEU  68  -1.325   7.029  -3.638
  544   HD22  LEU  68          HD22      LEU  68  -0.731   5.365  -3.642
  545   HD23  LEU  68          HD23      LEU  68   0.402   6.712  -3.469
  546    H    ALA  69           HN       ALA  69  -5.050   4.519  -1.765
  547    HA   ALA  69           HA       ALA  69  -6.026   4.217   0.859
  548    HB1  ALA  69           HB1      ALA  69  -8.233   3.858  -0.183
  549    HB2  ALA  69           HB2      ALA  69  -7.461   3.624  -1.756
  550    HB3  ALA  69           HB3      ALA  69  -7.380   5.197  -0.958
  551    H    ASP  70           HN       ASP  70  -5.519   1.899  -1.763
  552    HA   ASP  70           HA       ASP  70  -6.450  -0.423  -0.474
  553    HB2  ASP  70           HB2      ASP  70  -6.159  -0.366  -2.898
  554    HB3  ASP  70           HB1      ASP  70  -4.429  -0.068  -2.724
  555    H    LEU  71           HN       LEU  71  -3.080   0.743  -0.883
  556    HA   LEU  71           HA       LEU  71  -1.886  -1.456   0.435
  557    HB2  LEU  71           HB2      LEU  71  -0.850   1.171  -0.591
  558    HB3  LEU  71           HB1      LEU  71   0.140   0.354   0.598
  559    HG   LEU  71           HG       LEU  71   0.956  -0.192  -1.600
  560   HD11  LEU  71          HD11      LEU  71   0.882  -2.641  -1.563
  561   HD12  LEU  71          HD12      LEU  71  -0.469  -2.600  -0.427
  562   HD13  LEU  71          HD13      LEU  71   1.114  -1.980   0.054
  563   HD21  LEU  71          HD21      LEU  71  -1.818  -1.209  -2.263
  564   HD22  LEU  71          HD22      LEU  71  -0.384  -1.353  -3.288
  565   HD23  LEU  71          HD23      LEU  71  -1.037   0.238  -2.908
  566    H    VAL  72           HN       VAL  72  -2.418   1.915   1.552
  567    HA   VAL  72           HA       VAL  72  -1.382   1.667   4.115
  568    HB   VAL  72           HB       VAL  72  -3.650   3.475   3.163
  569   HG11  VAL  72          HG11      VAL  72  -3.176   4.896   5.147
  570   HG12  VAL  72          HG12      VAL  72  -2.030   3.687   5.733
  571   HG13  VAL  72          HG13      VAL  72  -3.746   3.291   5.615
  572   HG21  VAL  72          HG21      VAL  72  -1.528   3.873   1.956
  573   HG22  VAL  72          HG22      VAL  72  -0.674   4.060   3.488
  574   HG23  VAL  72          HG23      VAL  72  -1.896   5.241   3.011
  575    H    ASP  73           HN       ASP  73  -4.721   0.962   2.955
  576    HA   ASP  73           HA       ASP  73  -5.933   0.332   5.431
  577    HB2  ASP  73           HB2      ASP  73  -7.155   0.621   3.272
  578    HB3  ASP  73           HB1      ASP  73  -6.510  -0.910   2.708
  579    H    LYS  74           HN       LYS  74  -4.203  -1.674   3.156
  580    HA   LYS  74           HA       LYS  74  -4.643  -4.204   4.455
  581    HB2  LYS  74           HB2      LYS  74  -2.547  -3.478   2.369
  582    HB3  LYS  74           HB1      LYS  74  -2.929  -5.117   2.892
  583    HG2  LYS  74           HG2      LYS  74  -4.763  -3.210   1.411
  584    HG3  LYS  74           HG1      LYS  74  -4.003  -4.658   0.759
  585    HD2  LYS  74           HD2      LYS  74  -5.360  -6.069   2.256
  586    HD3  LYS  74           HD1      LYS  74  -6.074  -4.634   2.993
  587    HE2  LYS  74           HE2      LYS  74  -7.086  -4.028   0.812
  588    HE3  LYS  74           HE1      LYS  74  -6.400  -5.488   0.100
  589    HZ1  LYS  74           HZ1      LYS  74  -8.736  -5.707   0.766
  590    HZ2  LYS  74           HZ2      LYS  74  -8.289  -5.467   2.378
  591    HZ3  LYS  74           HZ3      LYS  74  -7.726  -6.821   1.537
  592    H    LYS  75           HN       LYS  75  -2.029  -1.827   4.554
  593    HA   LYS  75           HA       LYS  75  -0.192  -3.450   6.044
  594    HB2  LYS  75           HB2      LYS  75  -0.209  -0.470   5.406
  595    HB3  LYS  75           HB1      LYS  75   1.105  -1.284   6.260
  596    HG2  LYS  75           HG2      LYS  75   1.522  -2.710   4.308
  597    HG3  LYS  75           HG1      LYS  75   0.177  -1.951   3.448
  598    HD2  LYS  75           HD2      LYS  75   1.391   0.234   3.558
  599    HD3  LYS  75           HD1      LYS  75   2.740  -0.582   4.359
  600    HE2  LYS  75           HE2      LYS  75   1.716  -1.146   1.552
  601    HE3  LYS  75           HE1      LYS  75   3.199  -0.292   1.969
  602    HZ1  LYS  75           HZ1      LYS  75   3.708  -2.529   1.386
  603    HZ2  LYS  75           HZ2      LYS  75   2.597  -3.146   2.496
  604    HZ3  LYS  75           HZ3      LYS  75   3.979  -2.339   3.045
  605    H    LEU  76           HN       LEU  76  -2.527  -0.879   6.818
  606    HA   LEU  76           HA       LEU  76  -1.974  -0.632   9.579
  607    HB2  LEU  76           HB2      LEU  76  -4.625  -0.249   8.126
  608    HB3  LEU  76           HB1      LEU  76  -4.360   0.170   9.813
  609    HG   LEU  76           HG       LEU  76  -3.040   1.478   7.403
  610   HD11  LEU  76          HD11      LEU  76  -4.282   3.489   8.060
  611   HD12  LEU  76          HD12      LEU  76  -5.066   2.590   9.363
  612   HD13  LEU  76          HD13      LEU  76  -5.366   2.150   7.680
  613   HD21  LEU  76          HD21      LEU  76  -1.434   1.392   9.253
  614   HD22  LEU  76          HD22      LEU  76  -2.618   2.139  10.333
  615   HD23  LEU  76          HD23      LEU  76  -1.979   3.045   8.956
  616    H    ALA  77           HN       ALA  77  -4.125  -2.803   7.763
  617    HA   ALA  77           HA       ALA  77  -5.329  -4.215   9.878
  618    HB1  ALA  77           HB1      ALA  77  -5.783  -5.987   8.221
  619    HB2  ALA  77           HB2      ALA  77  -4.608  -5.268   7.114
  620    HB3  ALA  77           HB3      ALA  77  -6.079  -4.388   7.532
  621    H    ARG  78           HN       ARG  78  -2.221  -4.735   8.253
  622    HA   ARG  78           HA       ARG  78  -1.458  -7.102   9.673
  623    HB2  ARG  78           HB2      ARG  78   0.320  -5.055   8.274
  624    HB3  ARG  78           HB1      ARG  78   0.830  -6.658   8.801
  625    HG2  ARG  78           HG2      ARG  78  -1.144  -5.978   6.607
  626    HG3  ARG  78           HG1      ARG  78   0.438  -6.745   6.435
  627    HD2  ARG  78           HD2      ARG  78  -0.398  -8.721   7.676
  628    HD3  ARG  78           HD1      ARG  78  -1.984  -7.952   7.830
  629    HE   ARG  78           HE       ARG  78  -1.051  -8.215   5.109
  630   HH11  ARG  78          HH11      ARG  78  -2.915  -9.746   7.668
  631   HH12  ARG  78          HH12      ARG  78  -3.680 -10.864   6.591
  632   HH21  ARG  78          HH21      ARG  78  -2.094  -9.643   3.725
  633   HH22  ARG  78          HH22      ARG  78  -3.243 -10.785   4.343
  634    H    LYS  79           HN       LYS  79  -1.200  -3.683  10.334
  635    HA   LYS  79           HA       LYS  79   0.652  -3.971  12.565
  636    HB2  LYS  79           HB2      LYS  79  -0.846  -1.568  11.447
  637    HB3  LYS  79           HB1      LYS  79   0.322  -1.480  12.766
  638    HG2  LYS  79           HG2      LYS  79   0.949  -2.431   9.949
  639    HG3  LYS  79           HG1      LYS  79   1.253  -0.801  10.554
  640    HD2  LYS  79           HD2      LYS  79   2.834  -1.687  12.208
  641    HD3  LYS  79           HD1      LYS  79   2.494  -3.341  11.688
  642    HE2  LYS  79           HE2      LYS  79   3.482  -2.902   9.503
  643    HE3  LYS  79           HE1      LYS  79   3.686  -1.195   9.900
  644    HZ1  LYS  79           HZ1      LYS  79   5.055  -3.464  11.225
  645    HZ2  LYS  79           HZ2      LYS  79   5.224  -1.841  11.653
  646    HZ3  LYS  79           HZ3      LYS  79   5.749  -2.374  10.137
  647    H    LEU  80           HN       LEU  80  -2.797  -3.983  12.108
  648    HA   LEU  80           HA       LEU  80  -3.495  -3.338  14.844
  649    HB2  LEU  80           HB2      LEU  80  -5.033  -4.135  12.401
  650    HB3  LEU  80           HB1      LEU  80  -5.742  -4.653  13.914
  651    HG   LEU  80           HG       LEU  80  -6.803  -2.599  13.331
  652   HD11  LEU  80          HD11      LEU  80  -6.310  -2.805  15.711
  653   HD12  LEU  80          HD12      LEU  80  -6.315  -1.116  15.209
  654   HD13  LEU  80          HD13      LEU  80  -4.781  -1.948  15.492
  655   HD21  LEU  80          HD21      LEU  80  -5.640  -0.480  12.898
  656   HD22  LEU  80          HD22      LEU  80  -5.222  -1.714  11.712
  657   HD23  LEU  80          HD23      LEU  80  -4.082  -1.309  12.996
  658    H    GLU  81           HN       GLU  81  -1.997  -5.963  13.488
  659    HA   GLU  81           HA       GLU  81  -2.904  -8.139  15.042
  660    HB2  GLU  81           HB2      GLU  81  -1.133  -7.934  13.022
  661    HB3  GLU  81           HB1      GLU  81   0.032  -7.812  14.328
  662    HG2  GLU  81           HG2      GLU  81  -1.885 -10.139  13.953
  663    HG3  GLU  81           HG1      GLU  81  -0.247 -10.097  13.315
  664    H    HIS  82           HN       HIS  82  -1.867  -9.024  16.957
  665    HA   HIS  82           HA       HIS  82  -1.544  -7.246  19.121
  666    HB2  HIS  82           HB2      HIS  82  -0.737 -10.185  18.981
  667    HB3  HIS  82           HB1      HIS  82  -1.058  -9.265  20.445
  668    HD1  HIS  82           HD1      HIS  82  -2.674 -11.424  18.014
  669    HD2  HIS  82           HD2      HIS  82  -3.897  -8.438  20.643
  670    HE1  HIS  82           HE1      HIS  82  -5.161 -11.701  18.235
  671    HE2  HIS  82           HE2      HIS  82  -5.896  -9.784  19.690
  672    H    HIS  83           HN       HIS  83   0.466  -7.770  20.706
  673    HA   HIS  83           HA       HIS  83   2.610  -7.488  21.291
  674    HB2  HIS  83           HB2      HIS  83   3.366  -9.135  19.647
  675    HB3  HIS  83           HB1      HIS  83   3.333  -7.931  18.367
  676    HD1  HIS  83           HD1      HIS  83   5.516  -6.829  17.899
  677    HD2  HIS  83           HD2      HIS  83   5.414  -8.436  21.726
  678    HE1  HIS  83           HE1      HIS  83   7.815  -6.467  18.832
  679    HE2  HIS  83           HE2      HIS  83   7.744  -7.485  21.129
  680    H    HIS  84           HN       HIS  84   3.804  -5.736  21.767
  681    HA   HIS  84           HA       HIS  84   4.569  -3.652  21.938
  682    HB2  HIS  84           HB2      HIS  84   5.739  -4.114  19.851
  683    HB3  HIS  84           HB1      HIS  84   4.329  -3.647  18.909
  684    HD1  HIS  84           HD1      HIS  84   4.140  -1.225  18.280
  685    HD2  HIS  84           HD2      HIS  84   7.038  -1.874  21.181
  686    HE1  HIS  84           HE1      HIS  84   5.303   0.981  18.580
  687    HE2  HIS  84           HE2      HIS  84   6.971   0.595  20.414
  688    H    HIS  85           HN       HIS  85   2.748  -3.042  23.139
  689    HA   HIS  85           HA       HIS  85   0.658  -1.442  21.831
  690    HB2  HIS  85           HB2      HIS  85  -0.430  -1.400  24.076
  691    HB3  HIS  85           HB1      HIS  85  -0.149  -3.037  23.493
  692    HD1  HIS  85           HD1      HIS  85   1.018  -0.601  26.122
  693    HD2  HIS  85           HD2      HIS  85   1.580  -4.582  25.066
  694    HE1  HIS  85           HE1      HIS  85   2.292  -1.632  28.026
  695    HE2  HIS  85           HE2      HIS  85   2.777  -3.981  27.277
  696    H    HIS  86           HN       HIS  86   0.380   0.737  22.180
  697    HA   HIS  86           HA       HIS  86   2.638   2.294  23.120
  698    HB2  HIS  86           HB2      HIS  86  -0.049   3.067  21.907
  699    HB3  HIS  86           HB1      HIS  86   1.098   4.267  22.490
  700    HD1  HIS  86           HD1      HIS  86   0.304   2.224  19.571
  701    HD2  HIS  86           HD2      HIS  86   3.604   4.273  21.033
  702    HE1  HIS  86           HE1      HIS  86   1.853   2.481  17.611
  703    HE2  HIS  86           HE2      HIS  86   3.829   3.754  18.511
  704    H    HIS  87           HN       HIS  87   2.871   2.975  25.153
  705    HA   HIS  87           HA       HIS  87   0.881   2.540  27.181
  706    HB2  HIS  87           HB2      HIS  87   2.550   3.429  28.781
  707    HB3  HIS  87           HB1      HIS  87   3.251   2.211  27.732
  708    HD1  HIS  87           HD1      HIS  87   3.553   5.758  28.728
  709    HD2  HIS  87           HD2      HIS  87   5.144   3.229  25.845
  710    HE1  HIS  87           HE1      HIS  87   5.549   6.972  27.807
  711    HE2  HIS  87           HE2      HIS  87   6.339   5.520  25.913
  712   H282  PNS  88          H282      PNS  88   6.668  11.686 -11.192
  713   H281  PNS  88          H281      PNS  88   7.439  10.654 -12.404
  714   H303  PNS  88          H303      PNS  88   5.218   9.088 -11.932
  715   H302  PNS  88          H302      PNS  88   4.875   8.711 -10.240
  716   H301  PNS  88          H301      PNS  88   4.821  10.383 -10.797
  717   H313  PNS  88          H313      PNS  88   8.076  10.012  -8.818
  718   H312  PNS  88          H312      PNS  88   6.475  10.763  -8.784
  719   H311  PNS  88          H311      PNS  88   6.647   9.033  -8.489
  720    H32  PNS  88           H32      PNS  88   7.460   8.018 -11.989
  721    H33  PNS  88           H33      PNS  88   9.514   8.098 -10.181
  722    H36  PNS  88           H36      PNS  88   5.514   7.057 -10.677
  723   H372  PNS  88          H372      PNS  88   5.881   4.640  -9.698
  724   H371  PNS  88          H371      PNS  88   6.142   5.613  -8.241
  725   H382  PNS  88          H382      PNS  88   3.644   5.651  -9.971
  726   H381  PNS  88          H381      PNS  88   3.807   4.845  -8.413
  727    H41  PNS  88           H41      PNS  88   1.788   6.362  -8.305
  728   H422  PNS  88          H422      PNS  88   2.427   8.473  -6.466
  729   H421  PNS  88          H421      PNS  88   1.869   9.105  -8.016
  730   H431  PNS  88          H431      PNS  88   0.319   7.136  -6.322
  731   H432  PNS  88          H432      PNS  88  -0.221   7.919  -7.805
  732    H44  PNS  88           H44      PNS  88   0.486   9.575  -4.901
  Start of MODEL   12
    1    H1   MET   1           HT1      MET   1 -11.086   0.614   3.149
    2    H2   MET   1           HT2      MET   1 -10.136   1.010   4.487
    3    H3   MET   1           HT3      MET   1 -10.171   2.032   3.142
    4    HA   MET   1           HA       MET   1 -12.467   2.496   3.469
    5    HB2  MET   1           HB2      MET   1 -12.236   0.842   6.017
    6    HB3  MET   1           HB1      MET   1 -13.643   1.777   5.529
    7    HG2  MET   1           HG2      MET   1 -14.079  -0.523   5.031
    8    HG3  MET   1           HG1      MET   1 -13.835   0.316   3.497
    9    HE1  MET   1           HE1      MET   1 -12.323  -2.216   6.114
   10    HE2  MET   1           HE2      MET   1 -11.120  -0.924   6.161
   11    HE3  MET   1           HE3      MET   1 -10.709  -2.492   5.463
   12    HA   PRO   2           HA       PRO   2 -10.913   5.128   7.126
   13    HB2  PRO   2           HB2      PRO   2  -9.117   4.370   8.941
   14    HB3  PRO   2           HB1      PRO   2 -10.699   3.579   8.878
   15    HG2  PRO   2           HG2      PRO   2  -8.047   2.588   7.861
   16    HG3  PRO   2           HG1      PRO   2  -9.330   1.692   8.698
   17    HD2  PRO   2           HD2      PRO   2  -8.939   1.797   5.890
   18    HD3  PRO   2           HD1      PRO   2 -10.395   1.210   6.717
   19    H    THR   3           HN       THR   3  -8.801   4.143   4.785
   20    HA   THR   3           HA       THR   3  -6.357   5.365   5.596
   21    HB   THR   3           HB       THR   3  -5.775   5.070   3.048
   22    HG1  THR   3           HG1      THR   3  -7.364   3.081   2.553
   23   HG21  THR   3          HG21      THR   3  -6.379   2.665   4.806
   24   HG22  THR   3          HG22      THR   3  -4.902   3.633   4.841
   25   HG23  THR   3          HG23      THR   3  -5.299   2.676   3.412
   26    H    LEU   4           HN       LEU   4  -8.499   6.370   2.796
   27    HA   LEU   4           HA       LEU   4  -7.054   8.677   2.177
   28    HB2  LEU   4           HB2      LEU   4 -10.019   8.143   1.735
   29    HB3  LEU   4           HB1      LEU   4  -9.133   9.463   0.983
   30    HG   LEU   4           HG       LEU   4  -8.683   6.487   0.502
   31   HD11  LEU   4          HD11      LEU   4  -9.431   6.948  -1.787
   32   HD12  LEU   4          HD12      LEU   4  -9.738   8.638  -1.369
   33   HD13  LEU   4          HD13      LEU   4 -10.688   7.350  -0.618
   34   HD21  LEU   4          HD21      LEU   4  -7.024   7.172  -1.190
   35   HD22  LEU   4          HD22      LEU   4  -6.536   7.645   0.436
   36   HD23  LEU   4          HD23      LEU   4  -7.194   8.853  -0.675
   37    H    ASP   5           HN       ASP   5  -9.754   8.287   4.403
   38    HA   ASP   5           HA       ASP   5 -10.300  10.861   5.235
   39    HB2  ASP   5           HB2      ASP   5 -11.574   8.887   5.976
   40    HB3  ASP   5           HB1      ASP   5 -10.195   8.308   6.902
   41    H    ALA   6           HN       ALA   6  -7.826   8.664   6.516
   42    HA   ALA   6           HA       ALA   6  -6.733  10.616   8.372
   43    HB1  ALA   6           HB1      ALA   6  -5.808   7.797   7.695
   44    HB2  ALA   6           HB2      ALA   6  -6.905   8.240   9.002
   45    HB3  ALA   6           HB3      ALA   6  -5.226   8.779   9.047
   46    H    LEU   7           HN       LEU   7  -6.093   9.594   5.104
   47    HA   LEU   7           HA       LEU   7  -3.284  10.287   5.057
   48    HB2  LEU   7           HB2      LEU   7  -5.203   9.514   2.827
   49    HB3  LEU   7           HB1      LEU   7  -3.517   9.904   2.544
   50    HG   LEU   7           HG       LEU   7  -4.527   7.542   4.183
   51   HD11  LEU   7          HD11      LEU   7  -4.938   7.242   1.782
   52   HD12  LEU   7          HD12      LEU   7  -3.693   6.133   2.352
   53   HD13  LEU   7          HD13      LEU   7  -3.239   7.570   1.428
   54   HD21  LEU   7          HD21      LEU   7  -2.397   8.354   5.063
   55   HD22  LEU   7          HD22      LEU   7  -1.678   8.288   3.450
   56   HD23  LEU   7          HD23      LEU   7  -2.187   6.800   4.258
   57    H    THR   8           HN       THR   8  -6.354  11.844   4.161
   58    HA   THR   8           HA       THR   8  -5.417  13.863   2.487
   59    HB   THR   8           HB       THR   8  -7.822  13.984   4.353
   60    HG1  THR   8           HG1      THR   8  -8.512  12.567   2.947
   61   HG21  THR   8          HG21      THR   8  -8.724  15.720   2.848
   62   HG22  THR   8          HG22      THR   8  -7.228  15.703   1.912
   63   HG23  THR   8          HG23      THR   8  -7.219  16.271   3.585
   64    HA   PRO   9           HA       PRO   9  -4.565  16.671   6.614
   65    HB2  PRO   9           HB2      PRO   9  -3.804  14.239   8.258
   66    HB3  PRO   9           HB1      PRO   9  -4.399  15.818   8.801
   67    HG2  PRO   9           HG2      PRO   9  -6.051  13.746   8.719
   68    HG3  PRO   9           HG1      PRO   9  -6.612  15.343   8.169
   69    HD2  PRO   9           HD2      PRO   9  -5.811  12.944   6.535
   70    HD3  PRO   9           HD1      PRO   9  -7.098  14.133   6.238
   71    H    ILE  10           HN       ILE  10  -2.939  13.576   5.892
   72    HA   ILE  10           HA       ILE  10  -0.288  14.403   6.549
   73    HB   ILE  10           HB       ILE  10  -1.052  12.131   4.654
   74   HG12  ILE  10          HG12      ILE  10  -2.195  11.811   6.826
   75   HG13  ILE  10          HG11      ILE  10  -0.935  10.603   6.611
   76   HG21  ILE  10          HG21      ILE  10   1.314  12.706   4.473
   77   HG22  ILE  10          HG22      ILE  10   1.156  11.168   5.318
   78   HG23  ILE  10          HG23      ILE  10   1.506  12.634   6.229
   79   HD11  ILE  10          HD11      ILE  10  -0.764  13.069   8.345
   80   HD12  ILE  10          HD12      ILE  10   0.513  11.865   8.135
   81   HD13  ILE  10          HD13      ILE  10  -1.013  11.410   8.888
   82    H    PHE  11           HN       PHE  11  -2.014  14.045   3.429
   83    HA   PHE  11           HA       PHE  11   0.119  14.833   1.740
   84    HB2  PHE  11           HB2      PHE  11  -2.884  14.644   1.321
   85    HB3  PHE  11           HB1      PHE  11  -1.833  15.264   0.058
   86    HD1  PHE  11           HD2      PHE  11  -1.975  12.262   2.347
   87    HD2  PHE  11           HD1      PHE  11  -1.217  13.739  -1.591
   88    HE1  PHE  11           HE2      PHE  11  -1.624   9.959   1.550
   89    HE2  PHE  11           HE1      PHE  11  -0.863  11.437  -2.373
   90    HZ   PHE  11           HZ       PHE  11  -1.064   9.550  -0.813
   91    H    ARG  12           HN       ARG  12  -2.559  16.666   3.249
   92    HA   ARG  12           HA       ARG  12  -2.107  19.142   2.006
   93    HB2  ARG  12           HB2      ARG  12  -3.232  18.510   4.762
   94    HB3  ARG  12           HB1      ARG  12  -3.207  20.138   4.083
   95    HG2  ARG  12           HG2      ARG  12  -4.633  19.388   2.209
   96    HG3  ARG  12           HG1      ARG  12  -4.653  17.755   2.880
   97    HD2  ARG  12           HD2      ARG  12  -5.738  18.661   4.943
   98    HD3  ARG  12           HD1      ARG  12  -5.812  20.252   4.169
   99    HE   ARG  12           HE       ARG  12  -7.005  18.110   2.648
  100   HH11  ARG  12          HH11      ARG  12  -7.665  20.614   5.015
  101   HH12  ARG  12          HH12      ARG  12  -9.375  20.591   4.722
  102   HH21  ARG  12          HH21      ARG  12  -9.214  18.080   2.299
  103   HH22  ARG  12          HH22      ARG  12 -10.252  19.144   3.190
  104    H    GLN  13           HN       GLN  13  -0.600  17.729   4.922
  105    HA   GLN  13           HA       GLN  13   0.814  20.134   5.606
  106    HB2  GLN  13           HB2      GLN  13   1.160  17.290   6.638
  107    HB3  GLN  13           HB1      GLN  13   1.972  18.702   7.314
  108    HG2  GLN  13           HG2      GLN  13  -1.021  18.197   7.261
  109    HG3  GLN  13           HG1      GLN  13   0.029  18.086   8.671
  110   HE21  GLN  13          HE21      GLN  13  -2.362  19.762   8.144
  111   HE22  GLN  13          HE22      GLN  13  -1.861  21.397   8.401
  112    H    VAL  14           HN       VAL  14   1.826  16.997   4.198
  113    HA   VAL  14           HA       VAL  14   4.528  17.409   3.771
  114    HB   VAL  14           HB       VAL  14   2.529  15.877   2.046
  115   HG11  VAL  14          HG11      VAL  14   4.456  14.668   1.038
  116   HG12  VAL  14          HG12      VAL  14   5.572  15.752   1.876
  117   HG13  VAL  14          HG13      VAL  14   4.485  16.387   0.638
  118   HG21  VAL  14          HG21      VAL  14   3.433  13.880   3.193
  119   HG22  VAL  14          HG22      VAL  14   2.759  15.030   4.349
  120   HG23  VAL  14          HG23      VAL  14   4.507  14.912   4.144
  121    H    PHE  15           HN       PHE  15   1.883  18.110   1.493
  122    HA   PHE  15           HA       PHE  15   3.645  19.448  -0.390
  123    HB2  PHE  15           HB2      PHE  15   0.638  18.930  -0.418
  124    HB3  PHE  15           HB1      PHE  15   1.506  19.732  -1.724
  125    HD1  PHE  15           HD2      PHE  15   1.020  16.485   0.010
  126    HD2  PHE  15           HD1      PHE  15   2.904  18.470  -3.267
  127    HE1  PHE  15           HE2      PHE  15   1.546  14.314  -0.989
  128    HE2  PHE  15           HE1      PHE  15   3.430  16.289  -4.252
  129    HZ   PHE  15           HZ       PHE  15   2.758  14.214  -3.126
  130    H    ASP  16           HN       ASP  16   2.110  20.403   2.430
  131    HA   ASP  16           HA       ASP  16   1.936  22.369   3.528
  132    HB2  ASP  16           HB2      ASP  16   4.156  22.856   2.382
  133    HB3  ASP  16           HB1      ASP  16   3.268  23.697   1.122
  134    H    ASP  17           HN       ASP  17   0.046  21.428   1.283
  135    HA   ASP  17           HA       ASP  17  -1.165  23.905   0.284
  136    HB2  ASP  17           HB2      ASP  17  -0.433  22.052  -1.288
  137    HB3  ASP  17           HB1      ASP  17  -1.653  21.011  -0.567
  138    H    ASP  18           HN       ASP  18  -3.592  23.790   0.026
  139    HA   ASP  18           HA       ASP  18  -4.860  23.009   2.605
  140    HB2  ASP  18           HB2      ASP  18  -4.667  25.437   2.425
  141    HB3  ASP  18           HB1      ASP  18  -5.311  25.421   0.789
  142    H    SER  19           HN       SER  19  -5.168  23.167  -0.891
  143    HA   SER  19           HA       SER  19  -8.022  22.635  -0.916
  144    HB2  SER  19           HB2      SER  19  -6.074  23.048  -3.225
  145    HB3  SER  19           HB1      SER  19  -7.833  22.982  -3.364
  146    HG   SER  19           HG       SER  19  -6.188  24.997  -2.380
  147    H    ILE  20           HN       ILE  20  -5.289  20.655  -0.780
  148    HA   ILE  20           HA       ILE  20  -6.066  18.492  -2.452
  149    HB   ILE  20           HB       ILE  20  -4.306  18.488   0.043
  150   HG12  ILE  20          HG12      ILE  20  -3.578  18.442  -2.923
  151   HG13  ILE  20          HG11      ILE  20  -3.355  19.802  -1.830
  152   HG21  ILE  20          HG21      ILE  20  -3.499  16.249  -0.674
  153   HG22  ILE  20          HG22      ILE  20  -4.709  16.228  -1.957
  154   HG23  ILE  20          HG23      ILE  20  -5.215  16.227  -0.266
  155   HD11  ILE  20          HD11      ILE  20  -1.921  17.145  -1.690
  156   HD12  ILE  20          HD12      ILE  20  -1.699  18.489  -0.565
  157   HD13  ILE  20          HD13      ILE  20  -1.260  18.677  -2.263
  158    H    VAL  21           HN       VAL  21  -8.014  17.588  -2.257
  159    HA   VAL  21           HA       VAL  21  -8.803  16.373   0.325
  160    HB   VAL  21           HB       VAL  21 -10.789  17.403  -1.767
  161   HG11  VAL  21          HG11      VAL  21 -11.253  16.259   1.014
  162   HG12  VAL  21          HG12      VAL  21 -11.606  15.446  -0.513
  163   HG13  VAL  21          HG13      VAL  21 -12.506  16.894  -0.057
  164   HG21  VAL  21          HG21      VAL  21 -11.437  19.161  -0.142
  165   HG22  VAL  21          HG22      VAL  21  -9.763  19.344  -0.672
  166   HG23  VAL  21          HG23      VAL  21 -10.111  18.664   0.918
  167    H    LEU  22           HN       LEU  22  -8.157  14.346  -0.063
  168    HA   LEU  22           HA       LEU  22  -7.391  13.376  -2.564
  169    HB2  LEU  22           HB2      LEU  22  -7.892  11.857   0.016
  170    HB3  LEU  22           HB1      LEU  22  -7.069  11.181  -1.384
  171    HG   LEU  22           HG       LEU  22  -6.089  13.551   0.254
  172   HD11  LEU  22          HD11      LEU  22  -4.320  12.044   1.002
  173   HD12  LEU  22          HD12      LEU  22  -5.043  10.713   0.101
  174   HD13  LEU  22          HD13      LEU  22  -5.907  11.434   1.461
  175   HD21  LEU  22          HD21      LEU  22  -5.422  13.802  -2.092
  176   HD22  LEU  22          HD22      LEU  22  -4.779  12.157  -2.112
  177   HD23  LEU  22          HD23      LEU  22  -4.026  13.389  -1.098
  178    H    THR  23           HN       THR  23  -8.130  11.925  -3.987
  179    HA   THR  23           HA       THR  23 -10.554  10.345  -3.476
  180    HB   THR  23           HB       THR  23 -11.230  10.631  -5.910
  181    HG1  THR  23           HG1      THR  23  -9.317  12.735  -5.782
  182   HG21  THR  23          HG21      THR  23 -12.372  12.800  -5.655
  183   HG22  THR  23          HG22      THR  23 -11.333  13.196  -4.283
  184   HG23  THR  23          HG23      THR  23 -12.477  11.856  -4.165
  185    H    ARG  24           HN       ARG  24 -10.646   8.546  -5.151
  186    HA   ARG  24           HA       ARG  24  -8.365   6.964  -4.997
  187    HB2  ARG  24           HB2      ARG  24 -10.761   6.724  -6.861
  188    HB3  ARG  24           HB1      ARG  24  -9.545   5.462  -6.651
  189    HG2  ARG  24           HG2      ARG  24 -10.160   5.179  -4.311
  190    HG3  ARG  24           HG1      ARG  24 -11.281   6.539  -4.399
  191    HD2  ARG  24           HD2      ARG  24 -12.674   5.294  -6.006
  192    HD3  ARG  24           HD1      ARG  24 -11.536   3.940  -5.957
  193    HE   ARG  24           HE       ARG  24 -13.120   4.863  -3.615
  194   HH11  ARG  24          HH11      ARG  24 -11.734   2.241  -5.503
  195   HH12  ARG  24          HH12      ARG  24 -12.383   1.007  -4.472
  196   HH21  ARG  24          HH21      ARG  24 -13.947   3.241  -2.267
  197   HH22  ARG  24          HH22      ARG  24 -13.628   1.577  -2.635
  198    H    GLU  25           HN       GLU  25  -9.368   9.166  -7.612
  199    HA   GLU  25           HA       GLU  25  -7.383   8.004  -9.455
  200    HB2  GLU  25           HB2      GLU  25  -9.599  10.040  -9.944
  201    HB3  GLU  25           HB1      GLU  25  -8.584   9.310 -11.189
  202    HG2  GLU  25           HG2      GLU  25  -9.526   7.108 -10.727
  203    HG3  GLU  25           HG1      GLU  25 -10.446   7.741  -9.364
  204    H    THR  26           HN       THR  26  -7.349  10.466  -7.165
  205    HA   THR  26           HA       THR  26  -5.949  12.556  -8.409
  206    HB   THR  26           HB       THR  26  -5.535  11.582  -5.540
  207    HG1  THR  26           HG1      THR  26  -7.517  13.315  -6.632
  208   HG21  THR  26          HG21      THR  26  -5.228  14.374  -6.731
  209   HG22  THR  26          HG22      THR  26  -3.897  13.319  -6.236
  210   HG23  THR  26          HG23      THR  26  -5.028  13.943  -5.033
  211    H    SER  27           HN       SER  27  -4.386  11.807  -9.856
  212    HA   SER  27           HA       SER  27  -2.129  10.162  -8.938
  213    HB2  SER  27           HB2      SER  27  -2.629  11.354 -11.710
  214    HB3  SER  27           HB1      SER  27  -1.496  10.062 -11.295
  215    HG   SER  27           HG       SER  27  -4.305   9.853 -10.895
  216    H    ALA  28           HN       ALA  28   0.135  10.959  -9.490
  217    HA   ALA  28           HA       ALA  28   0.727  13.626  -8.746
  218    HB1  ALA  28           HB1      ALA  28   2.337  11.798  -8.485
  219    HB2  ALA  28           HB2      ALA  28   3.033  13.118  -9.427
  220    HB3  ALA  28           HB3      ALA  28   2.476  11.650 -10.237
  221    H    ASN  29           HN       ASN  29  -0.410  12.384 -11.692
  222    HA   ASN  29           HA       ASN  29   0.488  14.517 -13.421
  223    HB2  ASN  29           HB2      ASN  29  -0.040  12.227 -14.269
  224    HB3  ASN  29           HB1      ASN  29  -1.719  12.446 -13.797
  225   HD21  ASN  29          HD21      ASN  29   0.316  14.917 -15.341
  226   HD22  ASN  29          HD22      ASN  29  -0.575  14.974 -16.817
  227    H    ASP  30           HN       ASP  30  -2.173  13.985 -11.203
  228    HA   ASP  30           HA       ASP  30  -3.817  16.177 -12.184
  229    HB2  ASP  30           HB2      ASP  30  -4.097  14.393  -9.719
  230    HB3  ASP  30           HB1      ASP  30  -5.254  15.649 -10.172
  231    H    ILE  31           HN       ILE  31  -1.158  15.870 -10.026
  232    HA   ILE  31           HA       ILE  31  -1.669  18.560  -8.873
  233    HB   ILE  31           HB       ILE  31  -0.248  16.234  -7.469
  234   HG12  ILE  31          HG12      ILE  31  -2.941  17.541  -6.840
  235   HG13  ILE  31          HG11      ILE  31  -2.703  15.902  -7.435
  236   HG21  ILE  31          HG21      ILE  31  -0.772  19.056  -6.447
  237   HG22  ILE  31          HG22      ILE  31   0.800  18.391  -6.896
  238   HG23  ILE  31          HG23      ILE  31  -0.067  17.736  -5.510
  239   HD11  ILE  31          HD11      ILE  31  -3.212  15.875  -5.079
  240   HD12  ILE  31          HD12      ILE  31  -1.880  16.971  -4.734
  241   HD13  ILE  31          HD13      ILE  31  -1.548  15.338  -5.316
  242    H    ASP  32           HN       ASP  32  -0.218  19.965  -9.722
  243    HA   ASP  32           HA       ASP  32   2.072  19.045 -11.214
  244    HB2  ASP  32           HB2      ASP  32   2.496  21.377 -11.802
  245    HB3  ASP  32           HB1      ASP  32   0.785  21.014 -11.997
  246    H    ALA  33           HN       ALA  33   1.563  20.405  -8.032
  247    HA   ALA  33           HA       ALA  33   4.242  21.001  -7.311
  248    HB1  ALA  33           HB1      ALA  33   1.914  20.191  -5.528
  249    HB2  ALA  33           HB2      ALA  33   2.301  21.834  -6.039
  250    HB3  ALA  33           HB3      ALA  33   3.412  20.959  -4.984
  251    H    TRP  34           HN       TRP  34   2.461  18.010  -7.518
  252    HA   TRP  34           HA       TRP  34   4.221  16.411  -5.910
  253    HB2  TRP  34           HB2      TRP  34   1.675  16.023  -6.605
  254    HB3  TRP  34           HB1      TRP  34   2.367  15.259  -8.026
  255    HD1  TRP  34           HD1      TRP  34   4.814  14.027  -5.885
  256    HE1  TRP  34           HE1      TRP  34   4.158  11.883  -4.636
  257    HE3  TRP  34           HE3      TRP  34  -0.259  14.204  -6.545
  258    HZ2  TRP  34           HZ2      TRP  34   1.835  10.440  -4.026
  259    HZ3  TRP  34           HZ3      TRP  34  -1.629  12.380  -5.615
  260    HH2  TRP  34           HH2      TRP  34  -0.594  10.537  -4.382
  261    H    ASP  35           HN       ASP  35   6.216  16.022  -6.543
  262    HA   ASP  35           HA       ASP  35   6.835  15.058  -9.260
  263    HB2  ASP  35           HB2      ASP  35   8.399  17.104  -7.614
  264    HB3  ASP  35           HB1      ASP  35   9.162  16.163  -8.887
  265    H    SER  36           HN       SER  36   9.156  13.879  -9.073
  266    HA   SER  36           HA       SER  36   8.953  11.620  -7.522
  267    HB2  SER  36           HB2      SER  36  11.666  12.802  -8.243
  268    HB3  SER  36           HB1      SER  36  11.203  11.098  -8.206
  269    H    LEU  37           HN       LEU  37  10.541  14.614  -6.751
  270    HA   LEU  37           HA       LEU  37  11.780  13.909  -4.309
  271    HB2  LEU  37           HB2      LEU  37  10.942  16.624  -5.394
  272    HB3  LEU  37           HB1      LEU  37  11.895  16.416  -3.939
  273    HG   LEU  37           HG       LEU  37  13.414  17.035  -5.656
  274   HD11  LEU  37          HD11      LEU  37  13.694  14.046  -5.288
  275   HD12  LEU  37          HD12      LEU  37  14.282  15.302  -4.195
  276   HD13  LEU  37          HD13      LEU  37  14.965  15.157  -5.813
  277   HD21  LEU  37          HD21      LEU  37  13.661  15.918  -7.821
  278   HD22  LEU  37          HD22      LEU  37  12.044  16.587  -7.629
  279   HD23  LEU  37          HD23      LEU  37  12.303  14.852  -7.445
  280    H    SER  38           HN       SER  38   8.613  15.322  -5.052
  281    HA   SER  38           HA       SER  38   7.752  15.738  -2.365
  282    HB2  SER  38           HB2      SER  38   6.019  15.395  -4.841
  283    HB3  SER  38           HB1      SER  38   5.589  16.235  -3.346
  284    HG   SER  38           HG       SER  38   6.820  17.906  -3.916
  285    H    HIS  39           HN       HIS  39   7.494  13.019  -4.625
  286    HA   HIS  39           HA       HIS  39   5.793  11.304  -3.190
  287    HB2  HIS  39           HB2      HIS  39   8.112  10.683  -5.058
  288    HB3  HIS  39           HB1      HIS  39   7.158   9.404  -4.316
  289    HD2  HIS  39           HD2      HIS  39   6.962  11.904  -7.225
  290    HE1  HIS  39           HE1      HIS  39   3.368   9.728  -7.063
  291    HE2  HIS  39           HE2      HIS  39   4.654  11.504  -8.306
  292    H    MET  40           HN       MET  40   9.315  11.750  -2.982
  293    HA   MET  40           HA       MET  40   9.871   9.771  -1.061
  294    HB2  MET  40           HB2      MET  40  11.326  12.374  -1.689
  295    HB3  MET  40           HB1      MET  40  11.965  11.137  -0.607
  296    HG2  MET  40           HG2      MET  40  11.369  10.783  -3.556
  297    HG3  MET  40           HG1      MET  40  12.965  10.951  -2.824
  298    HE1  MET  40           HE1      MET  40  12.523   9.090  -0.114
  299    HE2  MET  40           HE2      MET  40  13.989   9.123  -1.095
  300    HE3  MET  40           HE3      MET  40  13.209   7.586  -0.730
  301    H    ASN  41           HN       ASN  41   9.132  13.225  -0.688
  302    HA   ASN  41           HA       ASN  41   9.262  13.440   2.125
  303    HB2  ASN  41           HB2      ASN  41   7.639  15.020   0.079
  304    HB3  ASN  41           HB1      ASN  41   7.758  15.471   1.778
  305   HD21  ASN  41          HD21      ASN  41   8.685  17.458   1.206
  306   HD22  ASN  41          HD22      ASN  41  10.324  17.585   0.671
  307    H    LEU  42           HN       LEU  42   6.540  12.671  -0.024
  308    HA   LEU  42           HA       LEU  42   4.502  12.630   1.936
  309    HB2  LEU  42           HB2      LEU  42   4.198  12.934  -0.547
  310    HB3  LEU  42           HB1      LEU  42   4.569  11.239  -0.779
  311    HG   LEU  42           HG       LEU  42   2.095  11.973  -0.881
  312   HD11  LEU  42          HD11      LEU  42   2.699   9.620  -0.798
  313   HD12  LEU  42          HD12      LEU  42   1.237   9.925   0.136
  314   HD13  LEU  42          HD13      LEU  42   2.775   9.677   0.964
  315   HD21  LEU  42          HD21      LEU  42   2.092  13.429   1.084
  316   HD22  LEU  42          HD22      LEU  42   2.380  12.038   2.134
  317   HD23  LEU  42          HD23      LEU  42   0.876  12.163   1.219
  318    H    ILE  43           HN       ILE  43   6.499  10.068   0.541
  319    HA   ILE  43           HA       ILE  43   5.119   7.908   1.788
  320    HB   ILE  43           HB       ILE  43   7.559   8.167   0.061
  321   HG12  ILE  43          HG12      ILE  43   6.487   6.309  -1.199
  322   HG13  ILE  43          HG11      ILE  43   5.260   6.154   0.049
  323   HG21  ILE  43          HG21      ILE  43   8.283   5.826   0.415
  324   HG22  ILE  43          HG22      ILE  43   7.189   5.713   1.796
  325   HG23  ILE  43          HG23      ILE  43   8.547   6.840   1.837
  326   HD11  ILE  43          HD11      ILE  43   4.404   7.271  -1.908
  327   HD12  ILE  43          HD12      ILE  43   5.651   8.511  -1.787
  328   HD13  ILE  43          HD13      ILE  43   4.414   8.376  -0.535
  329    H    VAL  44           HN       VAL  44   8.201   9.641   2.599
  330    HA   VAL  44           HA       VAL  44   8.817   8.010   4.833
  331    HB   VAL  44           HB       VAL  44  10.357   9.744   5.598
  332   HG11  VAL  44          HG11      VAL  44  11.124   8.215   3.841
  333   HG12  VAL  44          HG12      VAL  44  11.864   9.804   3.637
  334   HG13  VAL  44          HG13      VAL  44  10.523   9.310   2.596
  335   HG21  VAL  44          HG21      VAL  44   9.043  11.772   5.117
  336   HG22  VAL  44          HG22      VAL  44   9.259  11.519   3.386
  337   HG23  VAL  44          HG23      VAL  44  10.656  11.889   4.399
  338    H    SER  45           HN       SER  45   6.728  10.807   4.492
  339    HA   SER  45           HA       SER  45   6.088  11.214   7.218
  340    HB2  SER  45           HB2      SER  45   4.400  11.652   4.727
  341    HB3  SER  45           HB1      SER  45   3.963  12.231   6.335
  342    HG   SER  45           HG       SER  45   5.718  13.269   4.547
  343    H    LEU  46           HN       LEU  46   4.688   8.970   4.786
  344    HA   LEU  46           HA       LEU  46   2.643   7.952   6.516
  345    HB2  LEU  46           HB2      LEU  46   3.860   6.612   4.067
  346    HB3  LEU  46           HB1      LEU  46   2.350   6.161   4.853
  347    HG   LEU  46           HG       LEU  46   2.908   8.709   3.278
  348   HD11  LEU  46          HD11      LEU  46   0.977   6.432   2.718
  349   HD12  LEU  46          HD12      LEU  46   2.505   6.741   1.884
  350   HD13  LEU  46          HD13      LEU  46   1.181   7.896   1.747
  351   HD21  LEU  46          HD21      LEU  46   0.560   9.343   3.687
  352   HD22  LEU  46          HD22      LEU  46   1.500   9.302   5.176
  353   HD23  LEU  46          HD23      LEU  46   0.382   7.984   4.802
  354    H    GLU  47           HN       GLU  47   5.984   7.081   5.864
  355    HA   GLU  47           HA       GLU  47   6.206   4.549   7.043
  356    HB2  GLU  47           HB2      GLU  47   8.257   6.809   6.956
  357    HB3  GLU  47           HB1      GLU  47   8.637   5.142   7.374
  358    HG2  GLU  47           HG2      GLU  47   7.509   5.987   4.697
  359    HG3  GLU  47           HG1      GLU  47   9.229   5.884   5.028
  360    H    VAL  48           HN       VAL  48   6.914   7.738   8.482
  361    HA   VAL  48           HA       VAL  48   7.333   6.673  11.094
  362    HB   VAL  48           HB       VAL  48   7.571   9.050  11.814
  363   HG11  VAL  48          HG11      VAL  48   9.605   9.526  10.488
  364   HG12  VAL  48          HG12      VAL  48   9.118   8.314   9.300
  365   HG13  VAL  48          HG13      VAL  48   9.518   7.822  10.949
  366   HG21  VAL  48          HG21      VAL  48   7.524  10.868  10.134
  367   HG22  VAL  48          HG22      VAL  48   5.936  10.128  10.315
  368   HG23  VAL  48          HG23      VAL  48   6.930   9.735   8.912
  369    H    HIS  49           HN       HIS  49   4.573   8.418   9.619
  370    HA   HIS  49           HA       HIS  49   3.156   8.843  12.050
  371    HB2  HIS  49           HB2      HIS  49   2.338   8.987   9.132
  372    HB3  HIS  49           HB1      HIS  49   1.119   9.120  10.392
  373    HD1  HIS  49           HD1      HIS  49   0.689  11.418  11.236
  374    HD2  HIS  49           HD2      HIS  49   4.435  11.101   9.451
  375    HE1  HIS  49           HE1      HIS  49   1.641  13.750  11.232
  376    HE2  HIS  49           HE2      HIS  49   3.898  13.540  10.124
  377    H    TYR  50           HN       TYR  50   2.724   6.353   9.504
  378    HA   TYR  50           HA       TYR  50   0.741   4.942  11.151
  379    HB2  TYR  50           HB2      TYR  50   1.631   4.468   8.278
  380    HB3  TYR  50           HB1      TYR  50   0.330   3.600   9.090
  381    HD1  TYR  50           HD1      TYR  50  -1.839   4.712   9.550
  382    HD2  TYR  50           HD2      TYR  50   1.307   6.811   7.555
  383    HE1  TYR  50           HE1      TYR  50  -3.426   6.477   8.909
  384    HE2  TYR  50           HE2      TYR  50  -0.285   8.568   6.911
  385    HH   TYR  50           HH       TYR  50  -2.702   8.857   6.603
  386    H    LYS  51           HN       LYS  51   4.033   4.900  10.860
  387    HA   LYS  51           HA       LYS  51   5.718   3.568  11.534
  388    HB2  LYS  51           HB2      LYS  51   3.539   1.843  12.795
  389    HB3  LYS  51           HB1      LYS  51   5.257   1.569  13.022
  390    HG2  LYS  51           HG2      LYS  51   4.516   2.667  14.983
  391    HG3  LYS  51           HG1      LYS  51   5.386   3.895  14.058
  392    HD2  LYS  51           HD2      LYS  51   3.259   4.837  13.271
  393    HD3  LYS  51           HD1      LYS  51   2.362   3.560  14.097
  394    HE2  LYS  51           HE2      LYS  51   3.076   4.419  16.267
  395    HE3  LYS  51           HE1      LYS  51   4.090   5.634  15.481
  396    HZ1  LYS  51           HZ1      LYS  51   1.136   5.457  15.238
  397    HZ2  LYS  51           HZ2      LYS  51   2.125   6.638  14.533
  398    HZ3  LYS  51           HZ3      LYS  51   1.976   6.554  16.219
  399    H    ILE  52           HN       ILE  52   4.593   3.204   8.869
  400    HA   ILE  52           HA       ILE  52   4.605   0.271   8.416
  401    HB   ILE  52           HB       ILE  52   3.315   0.683   6.370
  402   HG12  ILE  52          HG12      ILE  52   3.413   3.647   7.129
  403   HG13  ILE  52          HG11      ILE  52   4.214   2.916   5.739
  404   HG21  ILE  52          HG21      ILE  52   2.116   2.046   8.805
  405   HG22  ILE  52          HG22      ILE  52   2.080   0.319   8.447
  406   HG23  ILE  52          HG23      ILE  52   1.201   1.449   7.421
  407   HD11  ILE  52          HD11      ILE  52   2.224   4.097   5.064
  408   HD12  ILE  52          HD12      ILE  52   1.234   3.152   6.174
  409   HD13  ILE  52          HD13      ILE  52   2.005   2.369   4.790
  410    H    LYS  53           HN       LYS  53   5.206  -0.095   5.885
  411    HA   LYS  53           HA       LYS  53   7.656   1.335   5.174
  412    HB2  LYS  53           HB2      LYS  53   8.198  -0.499   6.901
  413    HB3  LYS  53           HB1      LYS  53   7.718  -1.679   5.696
  414    HG2  LYS  53           HG2      LYS  53   9.956   0.320   5.222
  415    HG3  LYS  53           HG1      LYS  53  10.230  -1.224   6.026
  416    HD2  LYS  53           HD2      LYS  53   9.199  -0.855   3.181
  417    HD3  LYS  53           HD1      LYS  53  10.840  -1.312   3.635
  418    HE2  LYS  53           HE2      LYS  53   8.325  -2.943   4.137
  419    HE3  LYS  53           HE1      LYS  53   9.564  -3.279   2.926
  420    HZ1  LYS  53           HZ1      LYS  53   9.838  -4.657   4.883
  421    HZ2  LYS  53           HZ2      LYS  53   9.975  -3.291   5.865
  422    HZ3  LYS  53           HZ3      LYS  53  11.160  -3.619   4.707
  423    H    PHE  54           HN       PHE  54   7.301   1.768   3.092
  424    HA   PHE  54           HA       PHE  54   6.103  -0.180   1.233
  425    HB2  PHE  54           HB2      PHE  54   7.087   2.658   0.650
  426    HB3  PHE  54           HB1      PHE  54   6.174   1.630  -0.446
  427    HD1  PHE  54           HD2      PHE  54   3.769   0.990   0.210
  428    HD2  PHE  54           HD1      PHE  54   5.968   4.116   2.138
  429    HE1  PHE  54           HE2      PHE  54   1.662   1.994   1.012
  430    HE2  PHE  54           HE1      PHE  54   3.861   5.099   2.926
  431    HZ   PHE  54           HZ       PHE  54   1.712   4.049   2.363
  432    H    ALA  55           HN       ALA  55   7.304  -1.126  -0.431
  433    HA   ALA  55           HA       ALA  55  10.217  -0.710  -0.530
  434    HB1  ALA  55           HB1      ALA  55   8.438  -2.708  -1.981
  435    HB2  ALA  55           HB2      ALA  55   9.376  -3.026  -0.520
  436    HB3  ALA  55           HB3      ALA  55  10.203  -2.666  -2.035
  437    H    LEU  56           HN       LEU  56  11.250  -0.129  -2.620
  438    HA   LEU  56           HA       LEU  56   9.976   1.859  -4.134
  439    HB2  LEU  56           HB2      LEU  56  12.573   0.927  -3.926
  440    HB3  LEU  56           HB1      LEU  56  12.171   0.388  -5.540
  441    HG   LEU  56           HG       LEU  56  12.085   3.272  -4.549
  442   HD11  LEU  56          HD11      LEU  56  14.043   1.952  -6.448
  443   HD12  LEU  56          HD12      LEU  56  14.376   2.442  -4.785
  444   HD13  LEU  56          HD13      LEU  56  14.015   3.662  -6.005
  445   HD21  LEU  56          HD21      LEU  56  11.568   2.239  -7.359
  446   HD22  LEU  56          HD22      LEU  56  11.677   3.938  -6.884
  447   HD23  LEU  56          HD23      LEU  56  10.369   2.935  -6.265
  448    H    GLY  57           HN       GLY  57  10.193  -1.634  -4.623
  449    HA2  GLY  57           HA2      GLY  57   8.945  -1.931  -7.121
  450    HA3  GLY  57           HA1      GLY  57   8.884  -3.095  -5.806
  451    H    GLU  58           HN       GLU  58   7.516  -1.432  -3.891
  452    HA   GLU  58           HA       GLU  58   4.776  -1.732  -4.713
  453    HB2  GLU  58           HB2      GLU  58   5.913  -0.324  -2.259
  454    HB3  GLU  58           HB1      GLU  58   4.204  -0.694  -2.517
  455    HG2  GLU  58           HG2      GLU  58   6.468  -2.693  -2.187
  456    HG3  GLU  58           HG1      GLU  58   5.235  -2.299  -0.992
  457    H    LEU  59           HN       LEU  59   7.040   0.970  -4.545
  458    HA   LEU  59           HA       LEU  59   5.170   3.090  -4.889
  459    HB2  LEU  59           HB2      LEU  59   8.116   3.084  -5.623
  460    HB3  LEU  59           HB1      LEU  59   7.108   4.508  -5.402
  461    HG   LEU  59           HG       LEU  59   8.009   2.555  -3.245
  462   HD11  LEU  59          HD11      LEU  59   8.687   5.479  -3.654
  463   HD12  LEU  59          HD12      LEU  59   9.755   4.100  -3.943
  464   HD13  LEU  59          HD13      LEU  59   9.214   4.464  -2.306
  465   HD21  LEU  59          HD21      LEU  59   6.850   3.992  -1.615
  466   HD22  LEU  59          HD22      LEU  59   5.725   3.247  -2.746
  467   HD23  LEU  59          HD23      LEU  59   6.166   4.948  -2.935
  468    H    GLN  60           HN       GLN  60   6.981   1.058  -7.145
  469    HA   GLN  60           HA       GLN  60   6.262   2.178  -9.600
  470    HB2  GLN  60           HB2      GLN  60   6.442  -0.803  -8.993
  471    HB3  GLN  60           HB1      GLN  60   6.570  -0.064 -10.585
  472    HG2  GLN  60           HG2      GLN  60   8.538   0.208  -8.304
  473    HG3  GLN  60           HG1      GLN  60   8.757  -0.743  -9.768
  474   HE21  GLN  60          HE21      GLN  60  10.444   1.346  -8.718
  475   HE22  GLN  60          HE22      GLN  60  10.533   2.575  -9.931
  476    H    LYS  61           HN       LYS  61   4.363   0.213  -7.389
  477    HA   LYS  61           HA       LYS  61   2.172  -0.183  -9.289
  478    HB2  LYS  61           HB2      LYS  61   2.448  -1.049  -6.380
  479    HB3  LYS  61           HB1      LYS  61   1.141  -1.517  -7.467
  480    HG2  LYS  61           HG2      LYS  61   4.079  -2.246  -7.756
  481    HG3  LYS  61           HG1      LYS  61   2.777  -3.323  -7.238
  482    HD2  LYS  61           HD2      LYS  61   3.054  -2.043  -9.998
  483    HD3  LYS  61           HD1      LYS  61   3.413  -3.725  -9.599
  484    HE2  LYS  61           HE2      LYS  61   1.030  -4.103  -9.068
  485    HE3  LYS  61           HE1      LYS  61   0.666  -2.413  -9.426
  486    HZ1  LYS  61           HZ1      LYS  61   0.128  -3.834 -11.282
  487    HZ2  LYS  61           HZ2      LYS  61   1.713  -4.414 -11.356
  488    HZ3  LYS  61           HZ3      LYS  61   1.386  -2.789 -11.706
  489    H    LEU  62           HN       LEU  62   3.052   2.409  -7.486
  490    HA   LEU  62           HA       LEU  62   0.311   3.192  -6.710
  491    HB2  LEU  62           HB2      LEU  62   2.944   4.640  -6.170
  492    HB3  LEU  62           HB1      LEU  62   1.367   5.055  -5.510
  493    HG   LEU  62           HG       LEU  62   2.982   2.555  -4.862
  494   HD11  LEU  62          HD11      LEU  62   3.910   4.569  -3.836
  495   HD12  LEU  62          HD12      LEU  62   3.217   3.504  -2.617
  496   HD13  LEU  62          HD13      LEU  62   2.342   4.955  -3.122
  497   HD21  LEU  62          HD21      LEU  62   1.267   2.013  -3.191
  498   HD22  LEU  62          HD22      LEU  62   0.581   2.034  -4.811
  499   HD23  LEU  62          HD23      LEU  62   0.292   3.391  -3.720
  500    H    LYS  63           HN       LYS  63  -0.647   3.704  -8.666
  501    HA   LYS  63           HA       LYS  63   0.585   5.604 -10.529
  502    HB2  LYS  63           HB2      LYS  63  -0.650   3.554 -11.328
  503    HB3  LYS  63           HB1      LYS  63  -2.134   4.209 -10.664
  504    HG2  LYS  63           HG2      LYS  63  -0.571   5.720 -12.771
  505    HG3  LYS  63           HG1      LYS  63  -1.653   4.410 -13.226
  506    HD2  LYS  63           HD2      LYS  63  -3.562   5.610 -12.230
  507    HD3  LYS  63           HD1      LYS  63  -2.492   6.906 -11.696
  508    HE2  LYS  63           HE2      LYS  63  -1.949   7.402 -14.079
  509    HE3  LYS  63           HE1      LYS  63  -3.081   6.144 -14.578
  510    HZ1  LYS  63           HZ1      LYS  63  -3.804   8.553 -13.000
  511    HZ2  LYS  63           HZ2      LYS  63  -4.872   7.376 -13.582
  512    HZ3  LYS  63           HZ3      LYS  63  -4.037   8.372 -14.665
  513    H    ASN  64           HN       ASN  64  -1.825   5.438  -8.008
  514    HA   ASN  64           HA       ASN  64  -2.006   8.324  -7.839
  515    HB2  ASN  64           HB2      ASN  64  -4.591   8.232  -7.925
  516    HB3  ASN  64           HB1      ASN  64  -3.732   8.164  -9.452
  517   HD21  ASN  64          HD21      ASN  64  -4.329   5.494  -7.142
  518   HD22  ASN  64          HD22      ASN  64  -5.289   4.564  -8.223
  519    H    VAL  65           HN       VAL  65  -3.807   8.850  -6.056
  520    HA   VAL  65           HA       VAL  65  -2.821   7.723  -3.630
  521    HB   VAL  65           HB       VAL  65  -5.283   9.507  -3.954
  522   HG11  VAL  65          HG11      VAL  65  -4.835  10.202  -1.637
  523   HG12  VAL  65          HG12      VAL  65  -3.452   9.111  -1.557
  524   HG13  VAL  65          HG13      VAL  65  -5.081   8.458  -1.722
  525   HG21  VAL  65          HG21      VAL  65  -2.393  10.356  -3.545
  526   HG22  VAL  65          HG22      VAL  65  -3.790  11.435  -3.581
  527   HG23  VAL  65          HG23      VAL  65  -3.315  10.555  -5.030
  528    H    GLY  66           HN       GLY  66  -5.399   6.758  -5.720
  529    HA2  GLY  66           HA2      GLY  66  -7.031   5.321  -3.871
  530    HA3  GLY  66           HA1      GLY  66  -6.944   5.065  -5.611
  531    H    ASP  67           HN       ASP  67  -4.093   4.554  -5.692
  532    HA   ASP  67           HA       ASP  67  -3.925   1.817  -4.946
  533    HB2  ASP  67           HB2      ASP  67  -1.744   3.772  -5.778
  534    HB3  ASP  67           HB1      ASP  67  -1.474   2.047  -5.527
  535    H    LEU  68           HN       LEU  68  -2.732   4.857  -3.476
  536    HA   LEU  68           HA       LEU  68  -1.457   3.680  -1.221
  537    HB2  LEU  68           HB2      LEU  68  -2.550   6.467  -1.714
  538    HB3  LEU  68           HB1      LEU  68  -1.980   6.018  -0.123
  539    HG   LEU  68           HG       LEU  68  -0.229   7.218  -1.189
  540   HD11  LEU  68          HD11      LEU  68   0.498   4.288  -1.228
  541   HD12  LEU  68          HD12      LEU  68   0.502   5.355   0.179
  542   HD13  LEU  68          HD13      LEU  68   1.628   5.645  -1.144
  543   HD21  LEU  68          HD21      LEU  68   0.789   6.588  -3.335
  544   HD22  LEU  68          HD22      LEU  68  -0.912   7.012  -3.516
  545   HD23  LEU  68          HD23      LEU  68  -0.423   5.317  -3.537
  546    H    ALA  69           HN       ALA  69  -4.830   4.441  -1.897
  547    HA   ALA  69           HA       ALA  69  -5.858   4.311   0.729
  548    HB1  ALA  69           HB1      ALA  69  -8.044   3.863  -0.328
  549    HB2  ALA  69           HB2      ALA  69  -7.240   3.542  -1.869
  550    HB3  ALA  69           HB3      ALA  69  -7.187   5.159  -1.165
  551    H    ASP  70           HN       ASP  70  -5.626   1.831  -1.802
  552    HA   ASP  70           HA       ASP  70  -6.394  -0.373  -0.155
  553    HB2  ASP  70           HB2      ASP  70  -5.021  -0.250  -2.869
  554    HB3  ASP  70           HB1      ASP  70  -5.472  -1.768  -2.098
  555    H    LEU  71           HN       LEU  71  -3.234   1.032  -0.986
  556    HA   LEU  71           HA       LEU  71  -1.633  -1.207  -0.198
  557    HB2  LEU  71           HB2      LEU  71  -1.099   1.110  -1.632
  558    HB3  LEU  71           HB1      LEU  71  -0.304   1.484  -0.128
  559    HG   LEU  71           HG       LEU  71   1.339   0.594  -1.647
  560   HD11  LEU  71          HD11      LEU  71   2.239  -1.344  -0.469
  561   HD12  LEU  71          HD12      LEU  71   0.699  -1.568   0.367
  562   HD13  LEU  71          HD13      LEU  71   1.655  -0.113   0.650
  563   HD21  LEU  71          HD21      LEU  71   1.175  -1.606  -2.722
  564   HD22  LEU  71          HD22      LEU  71  -0.146  -0.548  -3.211
  565   HD23  LEU  71          HD23      LEU  71  -0.439  -1.832  -2.036
  566    H    VAL  72           HN       VAL  72  -2.218   1.971   1.359
  567    HA   VAL  72           HA       VAL  72  -0.915   1.345   3.794
  568    HB   VAL  72           HB       VAL  72  -3.042   3.495   3.329
  569   HG11  VAL  72          HG11      VAL  72  -0.946   3.293   5.537
  570   HG12  VAL  72          HG12      VAL  72  -2.683   3.047   5.737
  571   HG13  VAL  72          HG13      VAL  72  -2.066   4.639   5.296
  572   HG21  VAL  72          HG21      VAL  72  -1.154   3.794   1.764
  573   HG22  VAL  72          HG22      VAL  72  -0.009   3.711   3.107
  574   HG23  VAL  72          HG23      VAL  72  -1.137   5.064   2.993
  575    H    ASP  73           HN       ASP  73  -4.241   0.768   2.636
  576    HA   ASP  73           HA       ASP  73  -5.392  -0.060   5.110
  577    HB2  ASP  73           HB2      ASP  73  -6.209  -0.154   2.292
  578    HB3  ASP  73           HB1      ASP  73  -6.613  -1.675   3.062
  579    H    LYS  74           HN       LYS  74  -3.439  -1.774   2.736
  580    HA   LYS  74           HA       LYS  74  -3.591  -4.424   3.805
  581    HB2  LYS  74           HB2      LYS  74  -1.137  -3.159   2.492
  582    HB3  LYS  74           HB1      LYS  74  -1.416  -4.880   2.717
  583    HG2  LYS  74           HG2      LYS  74  -2.956  -3.031   0.877
  584    HG3  LYS  74           HG1      LYS  74  -1.762  -4.232   0.395
  585    HD2  LYS  74           HD2      LYS  74  -4.437  -4.817   1.720
  586    HD3  LYS  74           HD1      LYS  74  -4.090  -5.000   0.001
  587    HE2  LYS  74           HE2      LYS  74  -2.382  -6.741   0.572
  588    HE3  LYS  74           HE1      LYS  74  -2.823  -6.580   2.270
  589    HZ1  LYS  74           HZ1      LYS  74  -3.935  -8.449   1.273
  590    HZ2  LYS  74           HZ2      LYS  74  -4.623  -7.461   0.090
  591    HZ3  LYS  74           HZ3      LYS  74  -5.073  -7.274   1.702
  592    H    LYS  75           HN       LYS  75  -1.551  -1.639   4.494
  593    HA   LYS  75           HA       LYS  75   0.192  -2.901   6.358
  594    HB2  LYS  75           HB2      LYS  75  -0.345   0.058   5.886
  595    HB3  LYS  75           HB1      LYS  75   1.035  -0.625   6.736
  596    HG2  LYS  75           HG2      LYS  75   0.423  -0.892   3.782
  597    HG3  LYS  75           HG1      LYS  75   1.679   0.112   4.514
  598    HD2  LYS  75           HD2      LYS  75   2.813  -1.947   5.345
  599    HD3  LYS  75           HD1      LYS  75   1.566  -2.934   4.573
  600    HE2  LYS  75           HE2      LYS  75   2.248  -2.000   2.361
  601    HE3  LYS  75           HE1      LYS  75   3.538  -1.096   3.167
  602    HZ1  LYS  75           HZ1      LYS  75   4.329  -3.163   2.199
  603    HZ2  LYS  75           HZ2      LYS  75   3.250  -4.050   3.148
  604    HZ3  LYS  75           HZ3      LYS  75   4.503  -3.176   3.883
  605    H    LEU  76           HN       LEU  76  -2.792  -0.990   6.624
  606    HA   LEU  76           HA       LEU  76  -2.678  -0.556   9.452
  607    HB2  LEU  76           HB2      LEU  76  -5.014  -0.371   7.507
  608    HB3  LEU  76           HB1      LEU  76  -5.142   0.036   9.215
  609    HG   LEU  76           HG       LEU  76  -3.452   1.479   7.136
  610   HD11  LEU  76          HD11      LEU  76  -5.807   2.011   6.942
  611   HD12  LEU  76          HD12      LEU  76  -4.927   3.397   7.583
  612   HD13  LEU  76          HD13      LEU  76  -5.904   2.397   8.666
  613   HD21  LEU  76          HD21      LEU  76  -3.641   2.056  10.110
  614   HD22  LEU  76          HD22      LEU  76  -2.846   3.079   8.912
  615   HD23  LEU  76          HD23      LEU  76  -2.221   1.466   9.240
  616    H    ALA  77           HN       ALA  77  -4.228  -2.943   7.359
  617    HA   ALA  77           HA       ALA  77  -5.500  -4.557   9.257
  618    HB1  ALA  77           HB1      ALA  77  -5.317  -6.386   7.602
  619    HB2  ALA  77           HB2      ALA  77  -4.113  -5.452   6.705
  620    HB3  ALA  77           HB3      ALA  77  -5.771  -4.865   6.827
  621    H    ARG  78           HN       ARG  78  -2.083  -4.435   8.302
  622    HA   ARG  78           HA       ARG  78  -1.231  -6.572  10.049
  623    HB2  ARG  78           HB2      ARG  78   0.436  -4.342   8.802
  624    HB3  ARG  78           HB1      ARG  78   1.067  -5.818   9.529
  625    HG2  ARG  78           HG2      ARG  78  -0.656  -5.647   7.031
  626    HG3  ARG  78           HG1      ARG  78   1.079  -5.963   7.075
  627    HD2  ARG  78           HD2      ARG  78   0.695  -8.084   8.220
  628    HD3  ARG  78           HD1      ARG  78  -1.035  -7.746   8.329
  629    HE   ARG  78           HE       ARG  78  -0.004  -7.771   5.628
  630   HH11  ARG  78          HH11      ARG  78  -1.480  -9.732   8.157
  631   HH12  ARG  78          HH12      ARG  78  -1.929 -11.004   7.063
  632   HH21  ARG  78          HH21      ARG  78  -0.603  -9.425   4.221
  633   HH22  ARG  78          HH22      ARG  78  -1.431 -10.828   4.827
  634    H    LYS  79           HN       LYS  79  -1.583  -3.060  10.382
  635    HA   LYS  79           HA       LYS  79  -0.339  -2.898  12.979
  636    HB2  LYS  79           HB2      LYS  79  -2.035  -0.864  11.480
  637    HB3  LYS  79           HB1      LYS  79  -1.170  -0.543  12.982
  638    HG2  LYS  79           HG2      LYS  79   0.054  -1.223  10.292
  639    HG3  LYS  79           HG1      LYS  79   0.072   0.350  11.093
  640    HD2  LYS  79           HD2      LYS  79   1.499  -0.565  12.885
  641    HD3  LYS  79           HD1      LYS  79   1.421  -2.173  12.156
  642    HE2  LYS  79           HE2      LYS  79   2.565  -1.271  10.139
  643    HE3  LYS  79           HE1      LYS  79   2.690   0.302  10.935
  644    HZ1  LYS  79           HZ1      LYS  79   3.910  -2.238  11.876
  645    HZ2  LYS  79           HZ2      LYS  79   4.015  -0.747  12.664
  646    HZ3  LYS  79           HZ3      LYS  79   4.719  -0.947  11.144
  647    H    LEU  80           HN       LEU  80  -3.355  -4.047  11.985
  648    HA   LEU  80           HA       LEU  80  -5.046  -3.354  14.128
  649    HB2  LEU  80           HB2      LEU  80  -5.043  -5.349  11.986
  650    HB3  LEU  80           HB1      LEU  80  -5.662  -6.074  13.448
  651    HG   LEU  80           HG       LEU  80  -7.514  -5.264  12.111
  652   HD11  LEU  80          HD11      LEU  80  -7.786  -5.110  14.535
  653   HD12  LEU  80          HD12      LEU  80  -8.687  -3.843  13.707
  654   HD13  LEU  80          HD13      LEU  80  -7.166  -3.454  14.519
  655   HD21  LEU  80          HD21      LEU  80  -6.360  -3.550  10.791
  656   HD22  LEU  80          HD22      LEU  80  -6.262  -2.499  12.205
  657   HD23  LEU  80          HD23      LEU  80  -7.833  -2.905  11.511
  658    H    GLU  81           HN       GLU  81  -2.296  -5.459  14.047
  659    HA   GLU  81           HA       GLU  81  -2.779  -6.835  16.523
  660    HB2  GLU  81           HB2      GLU  81  -0.198  -6.432  14.950
  661    HB3  GLU  81           HB1      GLU  81  -0.421  -7.576  16.274
  662    HG2  GLU  81           HG2      GLU  81  -1.806  -7.632  13.569
  663    HG3  GLU  81           HG1      GLU  81  -0.540  -8.727  14.129
  664    H    HIS  82           HN       HIS  82  -1.922  -3.669  15.817
  665    HA   HIS  82           HA       HIS  82  -0.739  -3.136  18.482
  666    HB2  HIS  82           HB2      HIS  82  -0.737  -1.441  15.935
  667    HB3  HIS  82           HB1      HIS  82  -0.046  -0.935  17.476
  668    HD1  HIS  82           HD1      HIS  82   2.257  -1.828  18.089
  669    HD2  HIS  82           HD2      HIS  82   0.762  -3.452  14.563
  670    HE1  HIS  82           HE1      HIS  82   4.171  -3.090  17.063
  671    HE2  HIS  82           HE2      HIS  82   3.222  -4.161  14.983
  672    H    HIS  83           HN       HIS  83  -1.392  -0.682  19.013
  673    HA   HIS  83           HA       HIS  83  -4.094   0.103  18.344
  674    HB2  HIS  83           HB2      HIS  83  -4.983   0.084  20.634
  675    HB3  HIS  83           HB1      HIS  83  -4.511  -1.547  20.185
  676    HD1  HIS  83           HD1      HIS  83  -4.128   0.911  22.816
  677    HD2  HIS  83           HD2      HIS  83  -1.926  -2.320  21.409
  678    HE1  HIS  83           HE1      HIS  83  -2.551   0.313  24.672
  679    HE2  HIS  83           HE2      HIS  83  -1.116  -1.521  23.736
  680    H    HIS  84           HN       HIS  84  -4.299   1.961  20.599
  681    HA   HIS  84           HA       HIS  84  -3.558   3.856  21.557
  682    HB2  HIS  84           HB2      HIS  84  -1.461   2.718  22.158
  683    HB3  HIS  84           HB1      HIS  84  -0.787   3.051  20.568
  684    HD1  HIS  84           HD1      HIS  84  -1.798   4.828  23.755
  685    HD2  HIS  84           HD2      HIS  84   0.483   5.497  20.351
  686    HE1  HIS  84           HE1      HIS  84  -0.596   6.992  24.163
  687    HE2  HIS  84           HE2      HIS  84   0.719   7.417  22.064
  688    H    HIS  85           HN       HIS  85  -4.519   5.470  20.564
  689    HA   HIS  85           HA       HIS  85  -3.534   6.520  17.978
  690    HB2  HIS  85           HB2      HIS  85  -5.931   6.814  17.269
  691    HB3  HIS  85           HB1      HIS  85  -5.471   5.125  17.439
  692    HD1  HIS  85           HD1      HIS  85  -7.155   3.754  18.638
  693    HD2  HIS  85           HD2      HIS  85  -7.378   7.729  19.803
  694    HE1  HIS  85           HE1      HIS  85  -9.086   3.875  20.235
  695    HE2  HIS  85           HE2      HIS  85  -9.310   6.312  20.782
  696    H    HIS  86           HN       HIS  86  -4.688   8.680  17.525
  697    HA   HIS  86           HA       HIS  86  -5.501  10.254  19.828
  698    HB2  HIS  86           HB2      HIS  86  -3.765  11.974  19.608
  699    HB3  HIS  86           HB1      HIS  86  -3.017  10.418  19.931
  700    HD1  HIS  86           HD1      HIS  86  -2.012   9.186  17.684
  701    HD2  HIS  86           HD2      HIS  86  -2.710  13.282  17.458
  702    HE1  HIS  86           HE1      HIS  86  -0.670   9.990  15.714
  703    HE2  HIS  86           HE2      HIS  86  -0.957  12.494  15.723
  704    H    HIS  87           HN       HIS  87  -5.414   9.625  16.478
  705    HA   HIS  87           HA       HIS  87  -7.332  11.682  15.822
  706    HB2  HIS  87           HB2      HIS  87  -5.240  12.975  15.638
  707    HB3  HIS  87           HB1      HIS  87  -4.551  11.769  14.556
  708    HD1  HIS  87           HD1      HIS  87  -5.240  11.863  12.105
  709    HD2  HIS  87           HD2      HIS  87  -7.200  14.669  14.467
  710    HE1  HIS  87           HE1      HIS  87  -6.368  13.425  10.492
  711    HE2  HIS  87           HE2      HIS  87  -7.642  15.044  11.941
  712   H282  PNS  88          H282      PNS  88   7.467  11.712  -9.725
  713   H281  PNS  88          H281      PNS  88   7.837  11.901 -11.443
  714   H303  PNS  88          H303      PNS  88   5.075  11.775 -10.183
  715   H302  PNS  88          H302      PNS  88   5.183  11.820 -11.947
  716   H301  PNS  88          H301      PNS  88   4.267  10.530 -11.148
  717   H313  PNS  88          H313      PNS  88   7.012   8.501  -9.912
  718   H312  PNS  88          H312      PNS  88   6.195   9.719  -8.929
  719   H311  PNS  88          H311      PNS  88   5.258   8.729 -10.041
  720    H32  PNS  88           H32      PNS  88   7.148  10.318 -13.106
  721    H33  PNS  88           H33      PNS  88   7.143   7.665 -12.500
  722    H36  PNS  88           H36      PNS  88   5.002   7.887 -11.523
  723   H372  PNS  88          H372      PNS  88   2.850   8.339 -13.429
  724   H371  PNS  88          H371      PNS  88   3.619   6.740 -13.464
  725   H382  PNS  88          H382      PNS  88   1.688   6.648 -12.000
  726   H381  PNS  88          H381      PNS  88   3.157   6.487 -11.040
  727    H41  PNS  88           H41      PNS  88   2.114   7.133  -9.142
  728   H422  PNS  88          H422      PNS  88   2.239   9.702  -8.247
  729   H421  PNS  88          H421      PNS  88   0.587   9.545  -8.843
  730   H431  PNS  88          H431      PNS  88   0.263   7.602  -7.331
  731   H432  PNS  88          H432      PNS  88   0.644   9.084  -6.453
  732    H44  PNS  88           H44      PNS  88   2.979   8.342  -5.474
  Start of MODEL   13
    1    H1   MET   1           HT1      MET   1  -9.838   1.385   4.621
    2    H2   MET   1           HT2      MET   1 -10.871   0.118   5.002
    3    H3   MET   1           HT3      MET   1 -10.089   0.948   6.234
    4    HA   MET   1           HA       MET   1 -12.136   1.985   4.398
    5    HB2  MET   1           HB2      MET   1 -12.270   1.305   7.350
    6    HB3  MET   1           HB1      MET   1 -13.464   2.336   6.575
    7    HG2  MET   1           HG2      MET   1 -14.043   0.495   5.037
    8    HG3  MET   1           HG1      MET   1 -12.872  -0.539   5.854
    9    HE1  MET   1           HE1      MET   1 -16.622   1.131   8.018
   10    HE2  MET   1           HE2      MET   1 -16.208   1.570   6.365
   11    HE3  MET   1           HE3      MET   1 -15.187   2.114   7.702
   12    HA   PRO   2           HA       PRO   2 -10.968   5.820   6.928
   13    HB2  PRO   2           HB2      PRO   2  -9.481   5.797   9.151
   14    HB3  PRO   2           HB1      PRO   2 -11.083   5.050   9.144
   15    HG2  PRO   2           HG2      PRO   2  -8.381   3.754   9.080
   16    HG3  PRO   2           HG1      PRO   2  -9.879   3.198   9.856
   17    HD2  PRO   2           HD2      PRO   2  -8.872   2.397   7.294
   18    HD3  PRO   2           HD1      PRO   2 -10.448   1.989   7.998
   19    H    THR   3           HN       THR   3  -9.064   4.523   4.966
   20    HA   THR   3           HA       THR   3  -6.402   5.372   5.600
   21    HB   THR   3           HB       THR   3  -5.840   4.614   3.259
   22    HG1  THR   3           HG1      THR   3  -7.789   3.268   2.433
   23   HG21  THR   3          HG21      THR   3  -7.425   2.627   4.932
   24   HG22  THR   3          HG22      THR   3  -5.733   3.065   5.190
   25   HG23  THR   3          HG23      THR   3  -6.211   2.230   3.711
   26    H    LEU   4           HN       LEU   4  -8.518   6.369   2.781
   27    HA   LEU   4           HA       LEU   4  -7.003   8.552   1.939
   28    HB2  LEU   4           HB2      LEU   4 -10.017   8.145   1.823
   29    HB3  LEU   4           HB1      LEU   4  -9.204   9.466   1.003
   30    HG   LEU   4           HG       LEU   4  -8.718   6.516   0.404
   31   HD11  LEU   4          HD11      LEU   4 -10.388   8.529  -1.154
   32   HD12  LEU   4          HD12      LEU   4 -11.006   7.154  -0.233
   33   HD13  LEU   4          HD13      LEU   4 -10.008   6.877  -1.657
   34   HD21  LEU   4          HD21      LEU   4  -7.531   7.351  -1.586
   35   HD22  LEU   4          HD22      LEU   4  -6.777   7.934  -0.105
   36   HD23  LEU   4          HD23      LEU   4  -7.795   9.017  -1.060
   37    H    ASP   5           HN       ASP   5  -9.560   8.399   4.364
   38    HA   ASP   5           HA       ASP   5  -9.845  11.060   5.118
   39    HB2  ASP   5           HB2      ASP   5 -11.364   9.271   5.861
   40    HB3  ASP   5           HB1      ASP   5 -10.076   8.536   6.809
   41    H    ALA   6           HN       ALA   6  -7.595   8.605   6.403
   42    HA   ALA   6           HA       ALA   6  -6.330  10.383   8.299
   43    HB1  ALA   6           HB1      ALA   6  -4.833   8.487   8.746
   44    HB2  ALA   6           HB2      ALA   6  -5.469   7.637   7.335
   45    HB3  ALA   6           HB3      ALA   6  -6.517   7.962   8.716
   46    H    LEU   7           HN       LEU   7  -5.787   9.521   4.961
   47    HA   LEU   7           HA       LEU   7  -3.008  10.305   4.873
   48    HB2  LEU   7           HB2      LEU   7  -4.957   9.621   2.634
   49    HB3  LEU   7           HB1      LEU   7  -3.258   9.981   2.382
   50    HG   LEU   7           HG       LEU   7  -4.380   7.575   3.869
   51   HD11  LEU   7          HD11      LEU   7  -3.450   6.238   2.034
   52   HD12  LEU   7          HD12      LEU   7  -2.915   7.708   1.212
   53   HD13  LEU   7          HD13      LEU   7  -4.639   7.396   1.439
   54   HD21  LEU   7          HD21      LEU   7  -1.477   8.308   3.383
   55   HD22  LEU   7          HD22      LEU   7  -2.058   6.791   4.073
   56   HD23  LEU   7          HD23      LEU   7  -2.309   8.301   4.940
   57    H    THR   8           HN       THR   8  -6.158  11.847   4.225
   58    HA   THR   8           HA       THR   8  -5.301  13.878   2.498
   59    HB   THR   8           HB       THR   8  -7.634  14.021   4.454
   60    HG1  THR   8           HG1      THR   8  -7.356  12.414   2.501
   61   HG21  THR   8          HG21      THR   8  -7.074  15.719   1.984
   62   HG22  THR   8          HG22      THR   8  -7.039  16.289   3.654
   63   HG23  THR   8          HG23      THR   8  -8.558  15.753   2.935
   64    HA   PRO   9           HA       PRO   9  -4.365  16.741   6.508
   65    HB2  PRO   9           HB2      PRO   9  -3.602  14.481   8.363
   66    HB3  PRO   9           HB1      PRO   9  -4.320  16.056   8.748
   67    HG2  PRO   9           HG2      PRO   9  -5.838  13.878   8.765
   68    HG3  PRO   9           HG1      PRO   9  -6.467  15.383   8.056
   69    HD2  PRO   9           HD2      PRO   9  -5.359  12.946   6.660
   70    HD3  PRO   9           HD1      PRO   9  -6.781  13.930   6.245
   71    H    ILE  10           HN       ILE  10  -2.739  13.661   5.795
   72    HA   ILE  10           HA       ILE  10  -0.056  14.489   6.334
   73    HB   ILE  10           HB       ILE  10  -1.019  12.278   4.455
   74   HG12  ILE  10          HG12      ILE  10  -1.800  11.902   6.766
   75   HG13  ILE  10          HG11      ILE  10  -0.585  10.709   6.323
   76   HG21  ILE  10          HG21      ILE  10   1.766  12.717   5.609
   77   HG22  ILE  10          HG22      ILE  10   1.291  12.897   3.920
   78   HG23  ILE  10          HG23      ILE  10   1.256  11.310   4.679
   79   HD11  ILE  10          HD11      ILE  10  -0.167  13.127   8.078
   80   HD12  ILE  10          HD12      ILE  10   1.088  11.976   7.606
   81   HD13  ILE  10          HD13      ILE  10  -0.272  11.441   8.592
   82    H    PHE  11           HN       PHE  11  -2.064  14.392   3.392
   83    HA   PHE  11           HA       PHE  11  -0.068  15.349   1.584
   84    HB2  PHE  11           HB2      PHE  11  -3.097  15.121   1.406
   85    HB3  PHE  11           HB1      PHE  11  -2.146  15.814   0.098
   86    HD1  PHE  11           HD2      PHE  11  -1.758  12.749   2.273
   87    HD2  PHE  11           HD1      PHE  11  -1.974  14.327  -1.684
   88    HE1  PHE  11           HE2      PHE  11  -1.417  10.500   1.360
   89    HE2  PHE  11           HE1      PHE  11  -1.636  12.077  -2.583
   90    HZ   PHE  11           HZ       PHE  11  -1.355  10.160  -1.076
   91    H    ARG  12           HN       ARG  12  -2.741  16.910   3.347
   92    HA   ARG  12           HA       ARG  12  -2.349  19.547   2.439
   93    HB2  ARG  12           HB2      ARG  12  -3.553  18.492   5.024
   94    HB3  ARG  12           HB1      ARG  12  -3.586  20.197   4.571
   95    HG2  ARG  12           HG2      ARG  12  -4.878  19.578   2.517
   96    HG3  ARG  12           HG1      ARG  12  -4.914  17.904   3.075
   97    HD2  ARG  12           HD2      ARG  12  -6.197  18.539   5.046
   98    HD3  ARG  12           HD1      ARG  12  -6.060  20.252   4.634
   99    HE   ARG  12           HE       ARG  12  -7.233  19.110   2.448
  100   HH11  ARG  12          HH11      ARG  12  -8.096  19.335   5.840
  101   HH12  ARG  12          HH12      ARG  12  -9.794  19.195   5.528
  102   HH21  ARG  12          HH21      ARG  12  -9.436  18.927   2.055
  103   HH22  ARG  12          HH22      ARG  12 -10.560  18.986   3.377
  104    H    GLN  13           HN       GLN  13  -0.617  17.680   4.890
  105    HA   GLN  13           HA       GLN  13   0.805  19.904   6.002
  106    HB2  GLN  13           HB2      GLN  13   0.324  17.619   7.112
  107    HB3  GLN  13           HB1      GLN  13   1.603  16.962   6.109
  108    HG2  GLN  13           HG2      GLN  13   2.568  17.400   8.243
  109    HG3  GLN  13           HG1      GLN  13   3.168  18.661   7.158
  110   HE21  GLN  13          HE21      GLN  13   1.028  17.949   9.847
  111   HE22  GLN  13          HE22      GLN  13   0.769  19.586  10.338
  112    H    VAL  14           HN       VAL  14   1.788  17.162   3.940
  113    HA   VAL  14           HA       VAL  14   4.430  17.863   3.447
  114    HB   VAL  14           HB       VAL  14   2.501  16.081   1.903
  115   HG11  VAL  14          HG11      VAL  14   4.468  15.088   0.716
  116   HG12  VAL  14          HG12      VAL  14   5.487  16.374   1.368
  117   HG13  VAL  14          HG13      VAL  14   4.178  16.767   0.250
  118   HG21  VAL  14          HG21      VAL  14   3.105  15.325   4.174
  119   HG22  VAL  14          HG22      VAL  14   4.818  15.395   3.753
  120   HG23  VAL  14          HG23      VAL  14   3.759  14.231   2.949
  121    H    PHE  15           HN       PHE  15   1.621  18.322   1.284
  122    HA   PHE  15           HA       PHE  15   3.165  19.852  -0.648
  123    HB2  PHE  15           HB2      PHE  15   0.167  19.255  -0.600
  124    HB3  PHE  15           HB1      PHE  15   1.080  19.892  -1.970
  125    HD1  PHE  15           HD1      PHE  15   2.965  18.437  -2.943
  126    HD2  PHE  15           HD2      PHE  15  -0.008  16.898  -0.300
  127    HE1  PHE  15           HE1      PHE  15   3.487  16.154  -3.643
  128    HE2  PHE  15           HE2      PHE  15   0.538  14.618  -1.008
  129    HZ   PHE  15           HZ       PHE  15   2.293  14.244  -2.681
  130    H    ASP  16           HN       ASP  16   1.104  20.448   2.069
  131    HA   ASP  16           HA       ASP  16   0.309  22.244   3.130
  132    HB2  ASP  16           HB2      ASP  16   2.602  23.035   3.241
  133    HB3  ASP  16           HB1      ASP  16   2.515  23.688   1.609
  134    H    ASP  17           HN       ASP  17  -1.680  21.937   2.127
  135    HA   ASP  17           HA       ASP  17  -2.732  24.179   0.688
  136    HB2  ASP  17           HB2      ASP  17  -1.699  22.948  -1.216
  137    HB3  ASP  17           HB1      ASP  17  -2.604  21.505  -0.785
  138    H    ASP  18           HN       ASP  18  -4.549  24.465   1.775
  139    HA   ASP  18           HA       ASP  18  -5.967  22.631   3.366
  140    HB2  ASP  18           HB2      ASP  18  -6.116  25.018   3.764
  141    HB3  ASP  18           HB1      ASP  18  -6.740  25.313   2.149
  142    H    SER  19           HN       SER  19  -6.191  23.216  -0.058
  143    HA   SER  19           HA       SER  19  -9.011  22.600  -0.294
  144    HB2  SER  19           HB2      SER  19  -6.971  23.043  -2.508
  145    HB3  SER  19           HB1      SER  19  -8.732  23.114  -2.659
  146    HG   SER  19           HG       SER  19  -6.942  24.968  -1.673
  147    H    ILE  20           HN       ILE  20  -6.053  20.758  -0.367
  148    HA   ILE  20           HA       ILE  20  -6.705  18.686  -2.164
  149    HB   ILE  20           HB       ILE  20  -4.970  18.540   0.349
  150   HG12  ILE  20          HG12      ILE  20  -4.180  18.870  -2.581
  151   HG13  ILE  20          HG11      ILE  20  -4.140  20.142  -1.365
  152   HG21  ILE  20          HG21      ILE  20  -5.179  16.516  -1.916
  153   HG22  ILE  20          HG22      ILE  20  -5.686  16.268  -0.244
  154   HG23  ILE  20          HG23      ILE  20  -3.978  16.473  -0.624
  155   HD11  ILE  20          HD11      ILE  20  -1.923  19.274  -1.821
  156   HD12  ILE  20          HD12      ILE  20  -2.434  17.648  -1.374
  157   HD13  ILE  20          HD13      ILE  20  -2.389  18.927  -0.157
  158    H    VAL  21           HN       VAL  21  -8.464  17.456  -2.088
  159    HA   VAL  21           HA       VAL  21  -9.305  16.151   0.435
  160    HB   VAL  21           HB       VAL  21 -11.165  17.047  -1.829
  161   HG11  VAL  21          HG11      VAL  21 -13.008  16.297  -0.337
  162   HG12  VAL  21          HG12      VAL  21 -11.819  15.702   0.824
  163   HG13  VAL  21          HG13      VAL  21 -11.935  14.964  -0.775
  164   HG21  VAL  21          HG21      VAL  21 -10.452  19.006  -0.517
  165   HG22  VAL  21          HG22      VAL  21 -10.920  18.199   0.982
  166   HG23  VAL  21          HG23      VAL  21 -12.153  18.642  -0.204
  167    H    LEU  22           HN       LEU  22  -8.644  14.091   0.170
  168    HA   LEU  22           HA       LEU  22  -7.845  13.089  -2.393
  169    HB2  LEU  22           HB2      LEU  22  -7.938  11.715   0.308
  170    HB3  LEU  22           HB1      LEU  22  -7.205  11.023  -1.139
  171    HG   LEU  22           HG       LEU  22  -6.291  13.540   0.299
  172   HD11  LEU  22          HD11      LEU  22  -4.970  10.834   0.038
  173   HD12  LEU  22          HD12      LEU  22  -5.735  11.489   1.487
  174   HD13  LEU  22          HD13      LEU  22  -4.293  12.256   0.830
  175   HD21  LEU  22          HD21      LEU  22  -5.971  13.799  -2.124
  176   HD22  LEU  22          HD22      LEU  22  -5.128  12.248  -2.199
  177   HD23  LEU  22          HD23      LEU  22  -4.426  13.598  -1.305
  178    H    THR  23           HN       THR  23  -8.632  11.557  -3.629
  179    HA   THR  23           HA       THR  23 -11.037  10.009  -2.925
  180    HB   THR  23           HB       THR  23 -11.939  10.234  -5.201
  181    HG1  THR  23           HG1      THR  23 -10.708  12.080  -6.451
  182   HG21  THR  23          HG21      THR  23 -12.666  12.009  -3.643
  183   HG22  THR  23          HG22      THR  23 -12.555  12.630  -5.290
  184   HG23  THR  23          HG23      THR  23 -11.288  13.007  -4.120
  185    H    ARG  24           HN       ARG  24 -11.147   8.126  -4.626
  186    HA   ARG  24           HA       ARG  24  -8.733   6.648  -4.604
  187    HB2  ARG  24           HB2      ARG  24 -11.247   6.178  -6.250
  188    HB3  ARG  24           HB1      ARG  24  -9.971   4.993  -5.977
  189    HG2  ARG  24           HG2      ARG  24 -10.489   5.030  -3.543
  190    HG3  ARG  24           HG1      ARG  24 -11.803   6.167  -3.857
  191    HD2  ARG  24           HD2      ARG  24 -12.677   3.891  -3.638
  192    HD3  ARG  24           HD1      ARG  24 -12.916   4.476  -5.292
  193    HE   ARG  24           HE       ARG  24 -10.644   2.727  -4.543
  194   HH11  ARG  24          HH11      ARG  24 -13.338   3.382  -6.693
  195   HH12  ARG  24          HH12      ARG  24 -13.001   2.020  -7.708
  196   HH21  ARG  24          HH21      ARG  24 -10.203   0.977  -5.889
  197   HH22  ARG  24          HH22      ARG  24 -11.219   0.652  -7.255
  198    H    GLU  25           HN       GLU  25 -10.066   8.905  -6.951
  199    HA   GLU  25           HA       GLU  25  -8.321   7.934  -9.111
  200    HB2  GLU  25           HB2      GLU  25  -9.672   9.419 -10.564
  201    HB3  GLU  25           HB1      GLU  25 -10.666   8.247  -9.709
  202    HG2  GLU  25           HG2      GLU  25 -11.455   9.917  -8.164
  203    HG3  GLU  25           HG1      GLU  25 -10.316  11.108  -8.783
  204    H    THR  26           HN       THR  26  -8.331  10.330  -6.646
  205    HA   THR  26           HA       THR  26  -6.935  12.461  -7.824
  206    HB   THR  26           HB       THR  26  -6.552  11.381  -4.983
  207    HG1  THR  26           HG1      THR  26  -8.628  12.686  -6.184
  208   HG21  THR  26          HG21      THR  26  -4.804  13.026  -5.586
  209   HG22  THR  26          HG22      THR  26  -5.917  13.689  -4.393
  210   HG23  THR  26          HG23      THR  26  -6.054  14.177  -6.081
  211    H    SER  27           HN       SER  27  -4.778  12.813  -8.268
  212    HA   SER  27           HA       SER  27  -2.654  10.946  -7.624
  213    HB2  SER  27           HB2      SER  27  -2.112  10.455 -10.018
  214    HB3  SER  27           HB1      SER  27  -3.703   9.826  -9.580
  215    HG   SER  27           HG       SER  27  -4.663  11.455 -10.687
  216    H    ALA  28           HN       ALA  28  -0.621  11.719  -8.931
  217    HA   ALA  28           HA       ALA  28  -0.282  14.557  -8.655
  218    HB1  ALA  28           HB1      ALA  28   1.543  12.996  -8.180
  219    HB2  ALA  28           HB2      ALA  28   2.004  14.159  -9.427
  220    HB3  ALA  28           HB3      ALA  28   1.575  12.503  -9.873
  221    H    ASN  29           HN       ASN  29  -1.653  12.676 -11.121
  222    HA   ASN  29           HA       ASN  29  -0.971  14.433 -13.348
  223    HB2  ASN  29           HB2      ASN  29  -3.087  12.230 -13.135
  224    HB3  ASN  29           HB1      ASN  29  -2.611  13.052 -14.616
  225   HD21  ASN  29          HD21      ASN  29   0.255  13.007 -14.050
  226   HD22  ASN  29          HD22      ASN  29   0.757  11.372 -14.239
  227    H    ASP  30           HN       ASP  30  -3.432  13.878 -10.929
  228    HA   ASP  30           HA       ASP  30  -5.210  16.010 -11.822
  229    HB2  ASP  30           HB2      ASP  30  -6.109  13.843 -11.023
  230    HB3  ASP  30           HB1      ASP  30  -5.322  14.076  -9.465
  231    H    ILE  31           HN       ILE  31  -2.513  15.650  -9.681
  232    HA   ILE  31           HA       ILE  31  -3.048  18.294  -8.430
  233    HB   ILE  31           HB       ILE  31  -1.407  16.015  -7.199
  234   HG12  ILE  31          HG12      ILE  31  -4.070  17.203  -6.315
  235   HG13  ILE  31          HG11      ILE  31  -3.827  15.585  -6.960
  236   HG21  ILE  31          HG21      ILE  31  -1.987  18.781  -6.060
  237   HG22  ILE  31          HG22      ILE  31  -0.433  18.245  -6.702
  238   HG23  ILE  31          HG23      ILE  31  -1.091  17.496  -5.248
  239   HD11  ILE  31          HD11      ILE  31  -2.824  16.652  -4.319
  240   HD12  ILE  31          HD12      ILE  31  -2.476  15.042  -4.955
  241   HD13  ILE  31          HD13      ILE  31  -4.134  15.503  -4.574
  242    H    ASP  32           HN       ASP  32  -1.981  19.552  -9.831
  243    HA   ASP  32           HA       ASP  32   0.411  18.964 -11.219
  244    HB2  ASP  32           HB2      ASP  32  -1.155  20.709 -11.975
  245    HB3  ASP  32           HB1      ASP  32  -0.832  21.661 -10.530
  246    H    ALA  33           HN       ALA  33  -0.214  20.305  -8.050
  247    HA   ALA  33           HA       ALA  33   2.457  21.255  -7.522
  248    HB1  ALA  33           HB1      ALA  33   0.451  22.274  -6.518
  249    HB2  ALA  33           HB2      ALA  33   1.576  21.719  -5.279
  250    HB3  ALA  33           HB3      ALA  33   0.123  20.782  -5.635
  251    H    TRP  34           HN       TRP  34   1.608  18.124  -7.918
  252    HA   TRP  34           HA       TRP  34   3.239  17.060  -5.682
  253    HB2  TRP  34           HB2      TRP  34   0.853  16.294  -5.938
  254    HB3  TRP  34           HB1      TRP  34   1.262  15.621  -7.503
  255    HD1  TRP  34           HD1      TRP  34   4.159  14.547  -5.638
  256    HE1  TRP  34           HE1      TRP  34   3.815  12.253  -4.549
  257    HE3  TRP  34           HE3      TRP  34  -0.918  14.228  -6.014
  258    HZ2  TRP  34           HZ2      TRP  34   1.696  10.529  -3.930
  259    HZ3  TRP  34           HZ3      TRP  34  -2.028  12.215  -5.163
  260    HH2  TRP  34           HH2      TRP  34  -0.746  10.396  -4.139
  261    H    ASP  35           HN       ASP  35   5.132  16.171  -6.133
  262    HA   ASP  35           HA       ASP  35   5.915  15.399  -8.886
  263    HB2  ASP  35           HB2      ASP  35   7.741  16.657  -6.779
  264    HB3  ASP  35           HB1      ASP  35   8.173  16.253  -8.440
  265    H    SER  36           HN       SER  36   7.789  13.823  -8.850
  266    HA   SER  36           HA       SER  36   7.562  11.762  -6.917
  267    HB2  SER  36           HB2      SER  36   9.553  10.741  -8.135
  268    HB3  SER  36           HB1      SER  36   8.125  11.040  -9.118
  269    H    LEU  37           HN       LEU  37   9.504  14.610  -7.077
  270    HA   LEU  37           HA       LEU  37  11.300  13.981  -4.954
  271    HB2  LEU  37           HB2      LEU  37  10.092  16.683  -5.706
  272    HB3  LEU  37           HB1      LEU  37  11.400  16.461  -4.562
  273    HG   LEU  37           HG       LEU  37  12.438  17.233  -6.531
  274   HD11  LEU  37          HD11      LEU  37  13.916  15.454  -7.240
  275   HD12  LEU  37          HD12      LEU  37  12.810  14.234  -6.604
  276   HD13  LEU  37          HD13      LEU  37  13.619  15.355  -5.507
  277   HD21  LEU  37          HD21      LEU  37  10.595  16.959  -8.103
  278   HD22  LEU  37          HD22      LEU  37  10.884  15.221  -8.181
  279   HD23  LEU  37          HD23      LEU  37  12.099  16.349  -8.790
  280    H    SER  38           HN       SER  38   8.017  15.251  -5.100
  281    HA   SER  38           HA       SER  38   7.608  15.605  -2.302
  282    HB2  SER  38           HB2      SER  38   5.547  15.333  -4.519
  283    HB3  SER  38           HB1      SER  38   5.299  16.065  -2.932
  284    HG   SER  38           HG       SER  38   6.259  17.824  -3.584
  285    H    HIS  39           HN       HIS  39   7.125  12.892  -4.536
  286    HA   HIS  39           HA       HIS  39   5.600  11.146  -2.970
  287    HB2  HIS  39           HB2      HIS  39   7.746  10.652  -5.041
  288    HB3  HIS  39           HB1      HIS  39   7.152   9.288  -4.117
  289    HD2  HIS  39           HD2      HIS  39   6.681   9.856  -7.400
  290    HE1  HIS  39           HE1      HIS  39   2.669   9.782  -6.118
  291    HE2  HIS  39           HE2      HIS  39   4.243   9.308  -8.033
  292    H    MET  40           HN       MET  40   9.086  11.788  -2.879
  293    HA   MET  40           HA       MET  40   9.833   9.879  -0.955
  294    HB2  MET  40           HB2      MET  40  11.071  12.586  -1.586
  295    HB3  MET  40           HB1      MET  40  11.827  11.373  -0.560
  296    HG2  MET  40           HG2      MET  40  11.092  10.773  -3.430
  297    HG3  MET  40           HG1      MET  40  12.611  11.547  -2.999
  298    HE1  MET  40           HE1      MET  40  10.623   8.209  -3.240
  299    HE2  MET  40           HE2      MET  40  10.558   8.315  -1.480
  300    HE3  MET  40           HE3      MET  40  11.559   7.086  -2.254
  301    H    ASN  41           HN       ASN  41   8.937  13.292  -0.586
  302    HA   ASN  41           HA       ASN  41   9.099  13.524   2.213
  303    HB2  ASN  41           HB2      ASN  41   7.233  14.985   0.288
  304    HB3  ASN  41           HB1      ASN  41   7.555  15.480   1.948
  305   HD21  ASN  41          HD21      ASN  41   8.299  17.476   1.253
  306   HD22  ASN  41          HD22      ASN  41   9.822  17.684   0.463
  307    H    LEU  42           HN       LEU  42   6.384  12.654   0.126
  308    HA   LEU  42           HA       LEU  42   4.345  12.583   2.060
  309    HB2  LEU  42           HB2      LEU  42   4.224  12.744  -0.526
  310    HB3  LEU  42           HB1      LEU  42   4.378  11.002  -0.544
  311    HG   LEU  42           HG       LEU  42   2.040  11.859  -0.847
  312   HD11  LEU  42          HD11      LEU  42   2.384   9.577  -0.054
  313   HD12  LEU  42          HD12      LEU  42   0.914  10.284   0.609
  314   HD13  LEU  42          HD13      LEU  42   2.356  10.142   1.618
  315   HD21  LEU  42          HD21      LEU  42   2.186  13.807   0.644
  316   HD22  LEU  42          HD22      LEU  42   2.243  12.738   2.049
  317   HD23  LEU  42          HD23      LEU  42   0.803  12.790   1.032
  318    H    ILE  43           HN       ILE  43   6.227   9.937   0.587
  319    HA   ILE  43           HA       ILE  43   4.937   7.813   1.921
  320    HB   ILE  43           HB       ILE  43   7.392   8.076   0.218
  321   HG12  ILE  43          HG12      ILE  43   6.342   6.206  -1.052
  322   HG13  ILE  43          HG11      ILE  43   5.103   6.046   0.184
  323   HG21  ILE  43          HG21      ILE  43   8.153   5.749   0.587
  324   HG22  ILE  43          HG22      ILE  43   7.040   5.610   1.951
  325   HG23  ILE  43          HG23      ILE  43   8.376   6.762   2.014
  326   HD11  ILE  43          HD11      ILE  43   4.259   7.163  -1.783
  327   HD12  ILE  43          HD12      ILE  43   5.500   8.410  -1.647
  328   HD13  ILE  43          HD13      ILE  43   4.250   8.268  -0.408
  329    H    VAL  44           HN       VAL  44   7.994   9.579   2.740
  330    HA   VAL  44           HA       VAL  44   8.617   7.917   4.957
  331    HB   VAL  44           HB       VAL  44  10.214   9.623   5.672
  332   HG11  VAL  44          HG11      VAL  44  10.905   8.063   3.916
  333   HG12  VAL  44          HG12      VAL  44  11.651   9.640   3.652
  334   HG13  VAL  44          HG13      VAL  44  10.268   9.145   2.674
  335   HG21  VAL  44          HG21      VAL  44  10.520  11.745   4.444
  336   HG22  VAL  44          HG22      VAL  44   8.934  11.677   5.214
  337   HG23  VAL  44          HG23      VAL  44   9.084  11.393   3.478
  338    H    SER  45           HN       SER  45   6.545  10.749   4.670
  339    HA   SER  45           HA       SER  45   6.009  11.224   7.401
  340    HB2  SER  45           HB2      SER  45   4.063  11.481   5.069
  341    HB3  SER  45           HB1      SER  45   3.920  12.282   6.634
  342    HG   SER  45           HG       SER  45   5.326  13.008   4.450
  343    H    LEU  46           HN       LEU  46   4.579   8.907   5.086
  344    HA   LEU  46           HA       LEU  46   2.589   7.870   6.878
  345    HB2  LEU  46           HB2      LEU  46   3.753   6.520   4.413
  346    HB3  LEU  46           HB1      LEU  46   2.218   6.149   5.187
  347    HG   LEU  46           HG       LEU  46   2.913   8.685   3.654
  348   HD11  LEU  46          HD11      LEU  46   0.929   6.485   3.012
  349   HD12  LEU  46          HD12      LEU  46   2.472   6.776   2.209
  350   HD13  LEU  46          HD13      LEU  46   1.182   7.965   2.081
  351   HD21  LEU  46          HD21      LEU  46   1.492   9.259   5.567
  352   HD22  LEU  46          HD22      LEU  46   0.315   8.038   5.078
  353   HD23  LEU  46          HD23      LEU  46   0.620   9.438   4.047
  354    H    GLU  47           HN       GLU  47   5.905   6.985   6.120
  355    HA   GLU  47           HA       GLU  47   6.071   4.430   7.285
  356    HB2  GLU  47           HB2      GLU  47   8.264   6.542   7.109
  357    HB3  GLU  47           HB1      GLU  47   8.520   4.817   7.368
  358    HG2  GLU  47           HG2      GLU  47   7.274   5.997   4.867
  359    HG3  GLU  47           HG1      GLU  47   8.990   5.660   5.043
  360    H    VAL  48           HN       VAL  48   6.896   7.624   8.641
  361    HA   VAL  48           HA       VAL  48   7.508   6.650  11.236
  362    HB   VAL  48           HB       VAL  48   7.639   9.004  11.928
  363   HG11  VAL  48          HG11      VAL  48   9.478   9.691  10.421
  364   HG12  VAL  48          HG12      VAL  48   8.962   8.482   9.244
  365   HG13  VAL  48          HG13      VAL  48   9.572   7.974  10.818
  366   HG21  VAL  48          HG21      VAL  48   7.248  10.864  10.327
  367   HG22  VAL  48          HG22      VAL  48   5.763   9.976  10.663
  368   HG23  VAL  48          HG23      VAL  48   6.618   9.708   9.145
  369    H    HIS  49           HN       HIS  49   4.561   8.081   9.865
  370    HA   HIS  49           HA       HIS  49   3.131   8.396  12.292
  371    HB2  HIS  49           HB2      HIS  49   2.370   8.396   9.370
  372    HB3  HIS  49           HB1      HIS  49   1.070   8.260  10.547
  373    HD1  HIS  49           HD1      HIS  49   0.109  10.432  11.192
  374    HD2  HIS  49           HD2      HIS  49   4.102  10.804  10.124
  375    HE1  HIS  49           HE1      HIS  49   0.631  12.881  11.380
  376    HE2  HIS  49           HE2      HIS  49   3.021  13.092  10.623
  377    H    TYR  50           HN       TYR  50   2.877   5.805   9.824
  378    HA   TYR  50           HA       TYR  50   1.055   4.300  11.578
  379    HB2  TYR  50           HB2      TYR  50   1.877   3.702   8.710
  380    HB3  TYR  50           HB1      TYR  50   0.601   2.902   9.614
  381    HD1  TYR  50           HD1      TYR  50  -1.357   4.507  10.485
  382    HD2  TYR  50           HD2      TYR  50   1.292   5.469   7.268
  383    HE1  TYR  50           HE1      TYR  50  -3.000   6.119   9.610
  384    HE2  TYR  50           HE2      TYR  50  -0.356   7.064   6.401
  385    HH   TYR  50           HH       TYR  50  -2.841   7.396   6.518
  386    H    LYS  51           HN       LYS  51   4.345   4.490  11.176
  387    HA   LYS  51           HA       LYS  51   6.136   3.239  11.696
  388    HB2  LYS  51           HB2      LYS  51   4.026   1.781  13.308
  389    HB3  LYS  51           HB1      LYS  51   5.669   1.167  13.269
  390    HG2  LYS  51           HG2      LYS  51   5.339   2.499  15.257
  391    HG3  LYS  51           HG1      LYS  51   6.507   3.285  14.194
  392    HD2  LYS  51           HD2      LYS  51   4.767   4.861  13.437
  393    HD3  LYS  51           HD1      LYS  51   3.572   4.050  14.453
  394    HE2  LYS  51           HE2      LYS  51   6.054   5.481  15.448
  395    HE3  LYS  51           HE1      LYS  51   4.409   6.116  15.502
  396    HZ1  LYS  51           HZ1      LYS  51   3.794   4.333  16.988
  397    HZ2  LYS  51           HZ2      LYS  51   5.113   5.173  17.624
  398    HZ3  LYS  51           HZ3      LYS  51   5.345   3.664  16.904
  399    H    ILE  52           HN       ILE  52   5.009   2.816   9.191
  400    HA   ILE  52           HA       ILE  52   5.112  -0.110   8.677
  401    HB   ILE  52           HB       ILE  52   3.784   0.348   6.639
  402   HG12  ILE  52          HG12      ILE  52   3.713   3.252   7.614
  403   HG13  ILE  52          HG11      ILE  52   4.543   2.677   6.171
  404   HG21  ILE  52          HG21      ILE  52   2.530   1.447   9.178
  405   HG22  ILE  52          HG22      ILE  52   2.621  -0.251   8.709
  406   HG23  ILE  52          HG23      ILE  52   1.639   0.871   7.765
  407   HD11  ILE  52          HD11      ILE  52   1.561   2.693   6.629
  408   HD12  ILE  52          HD12      ILE  52   2.373   2.076   5.186
  409   HD13  ILE  52          HD13      ILE  52   2.482   3.787   5.599
  410    H    LYS  53           HN       LYS  53   5.723  -0.434   6.204
  411    HA   LYS  53           HA       LYS  53   8.086   1.156   5.487
  412    HB2  LYS  53           HB2      LYS  53   8.657  -0.846   7.048
  413    HB3  LYS  53           HB1      LYS  53   8.227  -1.888   5.700
  414    HG2  LYS  53           HG2      LYS  53  10.407   0.226   5.581
  415    HG3  LYS  53           HG1      LYS  53  10.697  -1.455   6.031
  416    HD2  LYS  53           HD2      LYS  53   9.858  -2.162   3.778
  417    HD3  LYS  53           HD1      LYS  53   9.658  -0.462   3.346
  418    HE2  LYS  53           HE2      LYS  53  11.750  -1.362   2.431
  419    HE3  LYS  53           HE1      LYS  53  12.077  -0.100   3.619
  420    HZ1  LYS  53           HZ1      LYS  53  12.199  -3.016   4.147
  421    HZ2  LYS  53           HZ2      LYS  53  12.572  -1.785   5.247
  422    HZ3  LYS  53           HZ3      LYS  53  13.529  -2.015   3.874
  423    H    PHE  54           HN       PHE  54   7.269   1.840   3.539
  424    HA   PHE  54           HA       PHE  54   6.158   0.011   1.583
  425    HB2  PHE  54           HB2      PHE  54   7.078   2.911   1.305
  426    HB3  PHE  54           HB1      PHE  54   6.312   1.981   0.024
  427    HD1  PHE  54           HD2      PHE  54   4.008   0.734   0.982
  428    HD2  PHE  54           HD1      PHE  54   5.632   4.464   2.302
  429    HE1  PHE  54           HE2      PHE  54   1.778   1.455   1.728
  430    HE2  PHE  54           HE1      PHE  54   3.403   5.163   3.041
  431    HZ   PHE  54           HZ       PHE  54   1.473   3.667   2.750
  432    H    ALA  55           HN       ALA  55   7.261  -1.055   0.089
  433    HA   ALA  55           HA       ALA  55  10.165  -0.805  -0.186
  434    HB1  ALA  55           HB1      ALA  55   8.199  -2.853  -1.292
  435    HB2  ALA  55           HB2      ALA  55   9.212  -3.066   0.134
  436    HB3  ALA  55           HB3      ALA  55   9.956  -2.927  -1.459
  437    H    LEU  56           HN       LEU  56  11.090  -0.366  -2.312
  438    HA   LEU  56           HA       LEU  56   9.815   1.506  -3.958
  439    HB2  LEU  56           HB2      LEU  56  12.345   0.887  -3.726
  440    HB3  LEU  56           HB1      LEU  56  12.049  -0.346  -4.925
  441    HG   LEU  56           HG       LEU  56  13.114   1.808  -5.762
  442   HD11  LEU  56          HD11      LEU  56  11.869   1.961  -7.849
  443   HD12  LEU  56          HD12      LEU  56  10.529   1.063  -7.131
  444   HD13  LEU  56          HD13      LEU  56  12.094   0.284  -7.356
  445   HD21  LEU  56          HD21      LEU  56  11.733   3.776  -6.113
  446   HD22  LEU  56          HD22      LEU  56  11.810   3.374  -4.398
  447   HD23  LEU  56          HD23      LEU  56  10.360   2.987  -5.330
  448    H    GLY  57           HN       GLY  57   9.803  -2.033  -4.117
  449    HA2  GLY  57           HA2      GLY  57   8.599  -2.443  -6.632
  450    HA3  GLY  57           HA1      GLY  57   8.446  -3.506  -5.239
  451    H    GLU  58           HN       GLU  58   7.190  -1.702  -3.481
  452    HA   GLU  58           HA       GLU  58   4.437  -1.823  -4.339
  453    HB2  GLU  58           HB2      GLU  58   5.610  -0.619  -1.788
  454    HB3  GLU  58           HB1      GLU  58   3.916  -1.028  -2.064
  455    HG2  GLU  58           HG2      GLU  58   4.555  -3.421  -2.290
  456    HG3  GLU  58           HG1      GLU  58   6.228  -2.994  -1.937
  457    H    LEU  59           HN       LEU  59   6.929   0.634  -4.164
  458    HA   LEU  59           HA       LEU  59   5.311   2.936  -4.624
  459    HB2  LEU  59           HB2      LEU  59   8.244   2.289  -4.823
  460    HB3  LEU  59           HB1      LEU  59   7.696   3.714  -5.670
  461    HG   LEU  59           HG       LEU  59   8.683   4.114  -3.359
  462   HD11  LEU  59          HD11      LEU  59   7.332   5.792  -4.471
  463   HD12  LEU  59          HD12      LEU  59   7.051   5.815  -2.734
  464   HD13  LEU  59          HD13      LEU  59   5.855   5.087  -3.810
  465   HD21  LEU  59          HD21      LEU  59   7.686   2.213  -2.170
  466   HD22  LEU  59          HD22      LEU  59   6.074   2.904  -2.374
  467   HD23  LEU  59          HD23      LEU  59   7.281   3.737  -1.388
  468    H    GLN  60           HN       GLN  60   6.985   0.651  -6.807
  469    HA   GLN  60           HA       GLN  60   6.212   1.714  -9.276
  470    HB2  GLN  60           HB2      GLN  60   6.536  -1.223  -8.529
  471    HB3  GLN  60           HB1      GLN  60   6.504  -0.602 -10.173
  472    HG2  GLN  60           HG2      GLN  60   8.629   0.037  -8.101
  473    HG3  GLN  60           HG1      GLN  60   8.778  -1.173  -9.369
  474   HE21  GLN  60          HE21      GLN  60  10.573  -0.199 -10.300
  475   HE22  GLN  60          HE22      GLN  60  10.500   1.306 -11.146
  476    H    LYS  61           HN       LYS  61   4.224   0.221  -6.876
  477    HA   LYS  61           HA       LYS  61   1.995  -0.295  -8.725
  478    HB2  LYS  61           HB2      LYS  61   2.291  -0.841  -5.738
  479    HB3  LYS  61           HB1      LYS  61   0.855  -1.226  -6.681
  480    HG2  LYS  61           HG2      LYS  61   3.613  -2.454  -6.973
  481    HG3  LYS  61           HG1      LYS  61   2.140  -3.232  -6.379
  482    HD2  LYS  61           HD2      LYS  61   1.136  -2.763  -8.710
  483    HD3  LYS  61           HD1      LYS  61   2.777  -2.351  -9.220
  484    HE2  LYS  61           HE2      LYS  61   2.345  -4.646  -9.833
  485    HE3  LYS  61           HE1      LYS  61   3.497  -4.655  -8.500
  486    HZ1  LYS  61           HZ1      LYS  61   1.788  -6.310  -8.187
  487    HZ2  LYS  61           HZ2      LYS  61   0.575  -5.140  -8.276
  488    HZ3  LYS  61           HZ3      LYS  61   1.667  -5.132  -6.985
  489    H    LEU  62           HN       LEU  62   3.108   2.453  -7.248
  490    HA   LEU  62           HA       LEU  62   0.453   3.439  -6.376
  491    HB2  LEU  62           HB2      LEU  62   3.192   4.742  -6.022
  492    HB3  LEU  62           HB1      LEU  62   1.671   5.324  -5.352
  493    HG   LEU  62           HG       LEU  62   3.152   2.782  -4.571
  494   HD11  LEU  62          HD11      LEU  62   2.591   5.287  -2.958
  495   HD12  LEU  62          HD12      LEU  62   4.145   4.808  -3.647
  496   HD13  LEU  62          HD13      LEU  62   3.411   3.829  -2.382
  497   HD21  LEU  62          HD21      LEU  62   1.390   2.432  -2.870
  498   HD22  LEU  62          HD22      LEU  62   0.772   2.307  -4.514
  499   HD23  LEU  62          HD23      LEU  62   0.460   3.765  -3.567
  500    H    LYS  63           HN       LYS  63  -0.531   3.797  -8.363
  501    HA   LYS  63           HA       LYS  63   0.644   5.799 -10.201
  502    HB2  LYS  63           HB2      LYS  63  -0.263   3.478 -10.981
  503    HB3  LYS  63           HB1      LYS  63  -1.867   4.135 -10.718
  504    HG2  LYS  63           HG2      LYS  63   0.148   5.460 -12.554
  505    HG3  LYS  63           HG1      LYS  63  -0.915   4.171 -13.113
  506    HD2  LYS  63           HD2      LYS  63  -2.887   5.539 -12.658
  507    HD3  LYS  63           HD1      LYS  63  -1.897   6.797 -11.919
  508    HE2  LYS  63           HE2      LYS  63  -0.799   7.206 -14.102
  509    HE3  LYS  63           HE1      LYS  63  -1.804   5.956 -14.840
  510    HZ1  LYS  63           HZ1      LYS  63  -2.794   8.451 -13.582
  511    HZ2  LYS  63           HZ2      LYS  63  -3.751   7.268 -14.317
  512    HZ3  LYS  63           HZ3      LYS  63  -2.665   8.168 -15.242
  513    H    ASN  64           HN       ASN  64  -2.042   5.186  -8.014
  514    HA   ASN  64           HA       ASN  64  -2.719   8.077  -8.081
  515    HB2  ASN  64           HB2      ASN  64  -4.754   5.767  -8.001
  516    HB3  ASN  64           HB1      ASN  64  -5.159   7.454  -7.714
  517   HD21  ASN  64          HD21      ASN  64  -6.236   5.659  -9.696
  518   HD22  ASN  64          HD22      ASN  64  -5.913   6.367 -11.238
  519    H    VAL  65           HN       VAL  65  -3.953   8.689  -6.092
  520    HA   VAL  65           HA       VAL  65  -2.878   7.768  -3.644
  521    HB   VAL  65           HB       VAL  65  -5.482   9.335  -3.961
  522   HG11  VAL  65          HG11      VAL  65  -5.090   8.462  -1.679
  523   HG12  VAL  65          HG12      VAL  65  -4.979  10.222  -1.715
  524   HG13  VAL  65          HG13      VAL  65  -3.508   9.247  -1.644
  525   HG21  VAL  65          HG21      VAL  65  -3.697  10.471  -5.213
  526   HG22  VAL  65          HG22      VAL  65  -2.671  10.453  -3.777
  527   HG23  VAL  65          HG23      VAL  65  -4.164  11.398  -3.784
  528    H    GLY  66           HN       GLY  66  -5.529   6.684  -5.613
  529    HA2  GLY  66           HA2      GLY  66  -7.016   5.204  -3.687
  530    HA3  GLY  66           HA1      GLY  66  -7.002   4.936  -5.426
  531    H    ASP  67           HN       ASP  67  -4.343   4.346  -5.917
  532    HA   ASP  67           HA       ASP  67  -3.934   1.673  -5.101
  533    HB2  ASP  67           HB2      ASP  67  -1.916   3.711  -6.173
  534    HB3  ASP  67           HB1      ASP  67  -1.571   1.993  -5.974
  535    H    LEU  68           HN       LEU  68  -2.587   4.740  -3.922
  536    HA   LEU  68           HA       LEU  68  -0.932   3.627  -1.897
  537    HB2  LEU  68           HB2      LEU  68  -0.622   5.897  -2.865
  538    HB3  LEU  68           HB1      LEU  68  -2.108   6.423  -2.095
  539    HG   LEU  68           HG       LEU  68  -1.083   6.070   0.148
  540   HD11  LEU  68          HD11      LEU  68   1.475   5.393  -1.350
  541   HD12  LEU  68          HD12      LEU  68   0.505   4.273  -0.390
  542   HD13  LEU  68          HD13      LEU  68   1.319   5.623   0.393
  543   HD21  LEU  68          HD21      LEU  68   0.557   7.864  -1.670
  544   HD22  LEU  68          HD22      LEU  68   0.457   7.979   0.090
  545   HD23  LEU  68          HD23      LEU  68  -0.973   8.285  -0.892
  546    H    ALA  69           HN       ALA  69  -4.333   4.487  -1.971
  547    HA   ALA  69           HA       ALA  69  -4.829   4.449   0.846
  548    HB1  ALA  69           HB1      ALA  69  -7.211   4.351   0.233
  549    HB2  ALA  69           HB2      ALA  69  -6.777   4.006  -1.444
  550    HB3  ALA  69           HB3      ALA  69  -6.365   5.564  -0.732
  551    H    ASP  70           HN       ASP  70  -5.069   2.072  -1.768
  552    HA   ASP  70           HA       ASP  70  -5.914  -0.164  -0.249
  553    HB2  ASP  70           HB2      ASP  70  -4.207  -0.127  -2.774
  554    HB3  ASP  70           HB1      ASP  70  -4.946  -1.571  -2.083
  555    H    LEU  71           HN       LEU  71  -2.707   1.113  -1.086
  556    HA   LEU  71           HA       LEU  71  -1.182  -1.064  -0.129
  557    HB2  LEU  71           HB2      LEU  71  -0.602   1.228  -1.605
  558    HB3  LEU  71           HB1      LEU  71   0.203   1.584  -0.098
  559    HG   LEU  71           HG       LEU  71   1.855   0.619  -1.522
  560   HD11  LEU  71          HD11      LEU  71   1.986  -0.214   0.761
  561   HD12  LEU  71          HD12      LEU  71   2.574  -1.411  -0.389
  562   HD13  LEU  71          HD13      LEU  71   0.975  -1.598   0.339
  563   HD21  LEU  71          HD21      LEU  71  -0.049  -1.671  -2.112
  564   HD22  LEU  71          HD22      LEU  71   1.606  -1.513  -2.712
  565   HD23  LEU  71          HD23      LEU  71   0.379  -0.354  -3.208
  566    H    VAL  72           HN       VAL  72  -1.853   2.130   1.351
  567    HA   VAL  72           HA       VAL  72  -0.692   1.720   3.864
  568    HB   VAL  72           HB       VAL  72  -3.051   3.504   3.088
  569   HG11  VAL  72          HG11      VAL  72  -1.452   3.528   5.686
  570   HG12  VAL  72          HG12      VAL  72  -3.158   3.110   5.519
  571   HG13  VAL  72          HG13      VAL  72  -2.622   4.763   5.211
  572   HG21  VAL  72          HG21      VAL  72  -0.918   4.078   1.952
  573   HG22  VAL  72          HG22      VAL  72  -0.111   4.187   3.517
  574   HG23  VAL  72          HG23      VAL  72  -1.383   5.336   3.102
  575    H    ASP  73           HN       ASP  73  -3.951   0.909   2.642
  576    HA   ASP  73           HA       ASP  73  -5.103   0.063   5.103
  577    HB2  ASP  73           HB2      ASP  73  -6.374   0.617   2.973
  578    HB3  ASP  73           HB1      ASP  73  -5.851  -0.928   2.314
  579    H    LYS  74           HN       LYS  74  -3.220  -1.577   2.669
  580    HA   LYS  74           HA       LYS  74  -3.442  -4.251   3.669
  581    HB2  LYS  74           HB2      LYS  74  -1.294  -2.971   1.940
  582    HB3  LYS  74           HB1      LYS  74  -1.340  -4.690   2.307
  583    HG2  LYS  74           HG2      LYS  74  -3.453  -3.135   0.780
  584    HG3  LYS  74           HG1      LYS  74  -2.247  -4.214   0.075
  585    HD2  LYS  74           HD2      LYS  74  -4.447  -5.060   2.013
  586    HD3  LYS  74           HD1      LYS  74  -4.513  -5.252   0.261
  587    HE2  LYS  74           HE2      LYS  74  -2.522  -6.735   0.366
  588    HE3  LYS  74           HE1      LYS  74  -2.509  -6.571   2.125
  589    HZ1  LYS  74           HZ1      LYS  74  -3.595  -8.596   1.429
  590    HZ2  LYS  74           HZ2      LYS  74  -4.710  -7.726   0.506
  591    HZ3  LYS  74           HZ3      LYS  74  -4.700  -7.569   2.188
  592    H    LYS  75           HN       LYS  75  -1.240  -1.567   4.305
  593    HA   LYS  75           HA       LYS  75   0.574  -2.963   6.023
  594    HB2  LYS  75           HB2      LYS  75  -0.057   0.013   5.764
  595    HB3  LYS  75           HB1      LYS  75   1.300  -0.657   6.667
  596    HG2  LYS  75           HG2      LYS  75   0.878  -0.884   3.671
  597    HG3  LYS  75           HG1      LYS  75   1.993   0.223   4.478
  598    HD2  LYS  75           HD2      LYS  75   3.268  -1.705   5.367
  599    HD3  LYS  75           HD1      LYS  75   2.142  -2.819   4.582
  600    HE2  LYS  75           HE2      LYS  75   2.828  -1.937   2.373
  601    HE3  LYS  75           HE1      LYS  75   3.955  -0.834   3.170
  602    HZ1  LYS  75           HZ1      LYS  75   4.059  -3.788   3.388
  603    HZ2  LYS  75           HZ2      LYS  75   5.188  -2.685   3.997
  604    HZ3  LYS  75           HZ3      LYS  75   4.999  -2.866   2.328
  605    H    LEU  76           HN       LEU  76  -2.381  -1.082   6.504
  606    HA   LEU  76           HA       LEU  76  -2.340  -1.117   9.372
  607    HB2  LEU  76           HB2      LEU  76  -4.634  -0.512   7.470
  608    HB3  LEU  76           HB1      LEU  76  -4.662  -0.235   9.206
  609    HG   LEU  76           HG       LEU  76  -2.952   1.211   7.152
  610   HD11  LEU  76          HD11      LEU  76  -4.197   3.214   7.813
  611   HD12  LEU  76          HD12      LEU  76  -5.198   2.247   8.903
  612   HD13  LEU  76          HD13      LEU  76  -5.258   1.965   7.159
  613   HD21  LEU  76          HD21      LEU  76  -2.884   1.543  10.170
  614   HD22  LEU  76          HD22      LEU  76  -2.080   2.594   9.000
  615   HD23  LEU  76          HD23      LEU  76  -1.591   0.910   9.143
  616    H    ALA  77           HN       ALA  77  -3.553  -3.233   6.872
  617    HA   ALA  77           HA       ALA  77  -5.086  -5.000   8.455
  618    HB1  ALA  77           HB1      ALA  77  -4.724  -6.657   6.661
  619    HB2  ALA  77           HB2      ALA  77  -3.443  -5.650   5.981
  620    HB3  ALA  77           HB3      ALA  77  -5.109  -5.071   5.985
  621    H    ARG  78           HN       ARG  78  -1.613  -4.903   7.654
  622    HA   ARG  78           HA       ARG  78  -0.846  -7.232   9.137
  623    HB2  ARG  78           HB2      ARG  78   0.946  -4.873   8.376
  624    HB3  ARG  78           HB1      ARG  78   1.472  -6.505   8.801
  625    HG2  ARG  78           HG2      ARG  78  -0.039  -5.648   6.317
  626    HG3  ARG  78           HG1      ARG  78   1.633  -6.204   6.405
  627    HD2  ARG  78           HD2      ARG  78   0.880  -8.450   7.021
  628    HD3  ARG  78           HD1      ARG  78  -0.801  -7.907   7.080
  629    HE   ARG  78           HE       ARG  78   0.684  -7.654   4.553
  630   HH11  ARG  78          HH11      ARG  78  -1.847  -9.324   6.334
  631   HH12  ARG  78          HH12      ARG  78  -2.559  -9.999   4.905
  632   HH21  ARG  78          HH21      ARG  78  -0.255  -8.542   2.711
  633   HH22  ARG  78          HH22      ARG  78  -1.645  -9.569   2.851
  634    H    LYS  79           HN       LYS  79  -1.192  -3.838   9.948
  635    HA   LYS  79           HA       LYS  79   0.136  -3.951  12.509
  636    HB2  LYS  79           HB2      LYS  79  -1.531  -1.852  11.077
  637    HB3  LYS  79           HB1      LYS  79  -1.198  -1.660  12.792
  638    HG2  LYS  79           HG2      LYS  79   0.903  -1.875  10.609
  639    HG3  LYS  79           HG1      LYS  79   0.386  -0.384  11.412
  640    HD2  LYS  79           HD2      LYS  79   1.153  -1.352  13.602
  641    HD3  LYS  79           HD1      LYS  79   1.753  -2.767  12.732
  642    HE2  LYS  79           HE2      LYS  79   2.728   0.086  12.402
  643    HE3  LYS  79           HE1      LYS  79   3.570  -1.220  13.233
  644    HZ1  LYS  79           HZ1      LYS  79   2.897  -1.174  10.346
  645    HZ2  LYS  79           HZ2      LYS  79   3.721  -2.412  11.150
  646    HZ3  LYS  79           HZ3      LYS  79   4.422  -0.885  11.009
  647    H    LEU  80           HN       LEU  80  -3.244  -3.443  11.579
  648    HA   LEU  80           HA       LEU  80  -5.234  -3.642  12.499
  649    HB2  LEU  80           HB2      LEU  80  -4.307  -6.095  12.703
  650    HB3  LEU  80           HB1      LEU  80  -4.242  -5.762  14.420
  651    HG   LEU  80           HG       LEU  80  -6.269  -7.015  13.722
  652   HD11  LEU  80          HD11      LEU  80  -6.386  -5.717  15.773
  653   HD12  LEU  80          HD12      LEU  80  -7.945  -5.754  14.957
  654   HD13  LEU  80          HD13      LEU  80  -6.940  -4.304  14.869
  655   HD21  LEU  80          HD21      LEU  80  -7.049  -4.519  12.195
  656   HD22  LEU  80          HD22      LEU  80  -8.070  -5.939  12.453
  657   HD23  LEU  80          HD23      LEU  80  -6.595  -6.077  11.497
  658    H    GLU  81           HN       GLU  81  -3.018  -4.128  15.263
  659    HA   GLU  81           HA       GLU  81  -2.375  -2.864  16.970
  660    HB2  GLU  81           HB2      GLU  81  -3.934  -0.674  15.556
  661    HB3  GLU  81           HB1      GLU  81  -3.101  -0.395  17.078
  662    HG2  GLU  81           HG2      GLU  81  -1.838  -1.189  14.434
  663    HG3  GLU  81           HG1      GLU  81  -1.742   0.387  15.218
  664    H    HIS  82           HN       HIS  82  -3.499  -1.228  18.717
  665    HA   HIS  82           HA       HIS  82  -5.136  -3.146  20.134
  666    HB2  HIS  82           HB2      HIS  82  -4.146  -0.445  21.153
  667    HB3  HIS  82           HB1      HIS  82  -4.650  -1.834  22.117
  668    HD1  HIS  82           HD1      HIS  82  -2.991  -4.087  21.287
  669    HD2  HIS  82           HD2      HIS  82  -1.459  -0.229  21.237
  670    HE1  HIS  82           HE1      HIS  82  -0.497  -4.354  21.289
  671    HE2  HIS  82           HE2      HIS  82   0.403  -2.013  21.362
  672    H    HIS  83           HN       HIS  83  -7.052  -2.949  18.825
  673    HA   HIS  83           HA       HIS  83  -8.702  -0.569  18.997
  674    HB2  HIS  83           HB2      HIS  83  -9.409  -3.443  18.223
  675    HB3  HIS  83           HB1      HIS  83 -10.509  -2.073  18.093
  676    HD1  HIS  83           HD1      HIS  83 -10.137  -3.476  15.565
  677    HD2  HIS  83           HD2      HIS  83  -7.460  -0.542  16.776
  678    HE1  HIS  83           HE1      HIS  83  -9.047  -2.650  13.453
  679    HE2  HIS  83           HE2      HIS  83  -7.267  -1.058  14.255
  680    H    HIS  84           HN       HIS  84  -8.280  -3.595  20.665
  681    HA   HIS  84           HA       HIS  84 -10.156  -2.868  22.833
  682    HB2  HIS  84           HB2      HIS  84 -10.684  -4.936  21.402
  683    HB3  HIS  84           HB1      HIS  84  -9.214  -5.666  22.031
  684    HD1  HIS  84           HD1      HIS  84  -9.602  -7.125  24.018
  685    HD2  HIS  84           HD2      HIS  84 -12.579  -4.257  23.607
  686    HE1  HIS  84           HE1      HIS  84 -11.273  -7.624  25.824
  687    HE2  HIS  84           HE2      HIS  84 -13.133  -5.957  25.464
  688    H    HIS  85           HN       HIS  85  -9.398  -3.930  24.987
  689    HA   HIS  85           HA       HIS  85  -6.845  -2.873  25.641
  690    HB2  HIS  85           HB2      HIS  85  -7.286  -3.601  27.936
  691    HB3  HIS  85           HB1      HIS  85  -8.714  -2.855  27.245
  692    HD1  HIS  85           HD1      HIS  85 -10.777  -4.023  27.884
  693    HD2  HIS  85           HD2      HIS  85  -7.559  -6.642  27.715
  694    HE1  HIS  85           HE1      HIS  85 -11.658  -6.230  28.691
  695    HE2  HIS  85           HE2      HIS  85  -9.660  -7.762  28.708
  696    H    HIS  86           HN       HIS  86  -5.199  -4.128  26.971
  697    HA   HIS  86           HA       HIS  86  -4.102  -6.184  25.227
  698    HB2  HIS  86           HB2      HIS  86  -2.939  -4.891  27.737
  699    HB3  HIS  86           HB1      HIS  86  -2.065  -5.981  26.666
  700    HD1  HIS  86           HD1      HIS  86  -0.370  -4.533  25.590
  701    HD2  HIS  86           HD2      HIS  86  -4.101  -2.708  25.631
  702    HE1  HIS  86           HE1      HIS  86  -0.075  -2.376  24.361
  703    HE2  HIS  86           HE2      HIS  86  -2.259  -1.173  24.669
  704    H    HIS  87           HN       HIS  87  -2.844  -7.992  26.374
  705    HA   HIS  87           HA       HIS  87  -3.103 -10.128  26.957
  706    HB2  HIS  87           HB2      HIS  87  -3.234 -10.508  29.456
  707    HB3  HIS  87           HB1      HIS  87  -1.990  -9.403  28.923
  708    HD1  HIS  87           HD1      HIS  87  -2.070  -7.010  29.785
  709    HD2  HIS  87           HD2      HIS  87  -5.292  -9.318  31.031
  710    HE1  HIS  87           HE1      HIS  87  -3.197  -5.678  31.590
  711    HE2  HIS  87           HE2      HIS  87  -5.208  -7.044  32.256
  712   H282  PNS  88          H282      PNS  88   6.342  13.705 -10.270
  713   H281  PNS  88          H281      PNS  88   6.543  13.794 -12.024
  714   H303  PNS  88          H303      PNS  88   3.122  12.280 -11.365
  715   H302  PNS  88          H302      PNS  88   3.926  13.571 -10.470
  716   H301  PNS  88          H301      PNS  88   3.933  13.594 -12.237
  717   H313  PNS  88          H313      PNS  88   6.154  10.570 -10.129
  718   H312  PNS  88          H312      PNS  88   5.178  11.732  -9.229
  719   H311  PNS  88          H311      PNS  88   4.391  10.509 -10.227
  720    H32  PNS  88           H32      PNS  88   5.911  11.993 -13.466
  721    H33  PNS  88           H33      PNS  88   5.993   9.464 -13.011
  722    H36  PNS  88           H36      PNS  88   3.681   9.724 -11.657
  723   H372  PNS  88          H372      PNS  88   1.451  10.253 -13.362
  724   H371  PNS  88          H371      PNS  88   2.271   8.775 -13.866
  725   H382  PNS  88          H382      PNS  88   0.435   8.198 -12.413
  726   H381  PNS  88          H381      PNS  88   1.953   7.851 -11.583
  727    H41  PNS  88           H41      PNS  88   2.031   8.477  -9.514
  728   H422  PNS  88          H422      PNS  88   1.921  10.042  -7.740
  729   H421  PNS  88          H421      PNS  88   0.630  10.893  -8.570
  730   H431  PNS  88          H431      PNS  88  -0.809   8.838  -8.150
  731   H432  PNS  88          H432      PNS  88  -0.434   9.827  -6.745
  732    H44  PNS  88           H44      PNS  88  -0.143   6.688  -6.929
  Start of MODEL   14
    1    H1   MET   1           HT1      MET   1 -14.576   3.036   4.244
    2    H2   MET   1           HT2      MET   1 -14.331   2.956   5.906
    3    H3   MET   1           HT3      MET   1 -14.218   1.555   4.972
    4    HA   MET   1           HA       MET   1 -12.047   2.363   5.612
    5    HB2  MET   1           HB2      MET   1 -12.319   2.933   2.634
    6    HB3  MET   1           HB1      MET   1 -11.001   2.129   3.483
    7    HG2  MET   1           HG2      MET   1 -13.755   0.991   2.949
    8    HG3  MET   1           HG1      MET   1 -12.258   0.538   2.135
    9    HE1  MET   1           HE1      MET   1 -10.071   0.045   4.265
   10    HE2  MET   1           HE2      MET   1 -10.531  -1.174   3.076
   11    HE3  MET   1           HE3      MET   1 -10.405  -1.607   4.782
   12    HA   PRO   2           HA       PRO   2 -12.228   6.980   5.511
   13    HB2  PRO   2           HB2      PRO   2 -11.414   7.457   8.004
   14    HB3  PRO   2           HB1      PRO   2 -12.983   6.679   7.737
   15    HG2  PRO   2           HG2      PRO   2 -10.403   5.470   8.663
   16    HG3  PRO   2           HG1      PRO   2 -12.066   5.028   9.093
   17    HD2  PRO   2           HD2      PRO   2 -10.386   3.815   7.068
   18    HD3  PRO   2           HD1      PRO   2 -12.079   3.414   7.452
   19    H    THR   3           HN       THR   3 -10.108   5.354   4.351
   20    HA   THR   3           HA       THR   3  -7.563   5.800   5.466
   21    HB   THR   3           HB       THR   3  -7.957   5.205   2.510
   22    HG1  THR   3           HG1      THR   3  -8.165   2.926   3.503
   23   HG21  THR   3          HG21      THR   3  -5.640   5.270   3.398
   24   HG22  THR   3          HG22      THR   3  -6.082   3.639   2.895
   25   HG23  THR   3          HG23      THR   3  -6.060   4.053   4.610
   26    H    LEU   4           HN       LEU   4  -8.970   7.084   2.423
   27    HA   LEU   4           HA       LEU   4  -7.039   9.015   1.827
   28    HB2  LEU   4           HB2      LEU   4 -10.018   9.075   1.164
   29    HB3  LEU   4           HB1      LEU   4  -8.801  10.094   0.410
   30    HG   LEU   4           HG       LEU   4  -9.020   7.066   0.146
   31   HD11  LEU   4          HD11      LEU   4  -9.518   7.520  -2.219
   32   HD12  LEU   4          HD12      LEU   4  -9.452   9.259  -1.915
   33   HD13  LEU   4          HD13      LEU   4 -10.710   8.275  -1.161
   34   HD21  LEU   4          HD21      LEU   4  -6.969   8.943  -1.072
   35   HD22  LEU   4          HD22      LEU   4  -7.152   7.228  -1.450
   36   HD23  LEU   4          HD23      LEU   4  -6.664   7.721   0.169
   37    H    ASP   5           HN       ASP   5  -9.914   9.189   3.866
   38    HA   ASP   5           HA       ASP   5 -10.034  11.948   4.391
   39    HB2  ASP   5           HB2      ASP   5 -11.882  10.411   4.893
   40    HB3  ASP   5           HB1      ASP   5 -10.898   9.568   6.085
   41    H    ALA   6           HN       ALA   6  -8.408   9.349   6.183
   42    HA   ALA   6           HA       ALA   6  -7.202  10.999   8.182
   43    HB1  ALA   6           HB1      ALA   6  -5.913   8.977   8.757
   44    HB2  ALA   6           HB2      ALA   6  -6.455   8.198   7.265
   45    HB3  ALA   6           HB3      ALA   6  -7.621   8.596   8.529
   46    H    LEU   7           HN       LEU   7  -6.273   9.964   4.977
   47    HA   LEU   7           HA       LEU   7  -3.475  10.609   5.195
   48    HB2  LEU   7           HB2      LEU   7  -5.197   9.933   2.778
   49    HB3  LEU   7           HB1      LEU   7  -3.464  10.186   2.708
   50    HG   LEU   7           HG       LEU   7  -4.880   7.920   4.165
   51   HD11  LEU   7          HD11      LEU   7  -3.170   7.854   1.656
   52   HD12  LEU   7          HD12      LEU   7  -4.924   7.655   1.732
   53   HD13  LEU   7          HD13      LEU   7  -3.872   6.455   2.478
   54   HD21  LEU   7          HD21      LEU   7  -2.879   8.550   5.405
   55   HD22  LEU   7          HD22      LEU   7  -1.903   8.458   3.935
   56   HD23  LEU   7          HD23      LEU   7  -2.638   6.997   4.605
   57    H    THR   8           HN       THR   8  -6.400  12.363   4.224
   58    HA   THR   8           HA       THR   8  -5.339  14.130   2.344
   59    HB   THR   8           HB       THR   8  -7.678  14.666   4.221
   60    HG1  THR   8           HG1      THR   8  -7.386  12.971   2.211
   61   HG21  THR   8          HG21      THR   8  -8.459  16.288   2.521
   62   HG22  THR   8          HG22      THR   8  -6.974  16.052   1.596
   63   HG23  THR   8          HG23      THR   8  -6.909  16.793   3.198
   64    HA   PRO   9           HA       PRO   9  -4.252  17.356   5.950
   65    HB2  PRO   9           HB2      PRO   9  -3.762  15.436   8.221
   66    HB3  PRO   9           HB1      PRO   9  -4.450  17.066   8.256
   67    HG2  PRO   9           HG2      PRO   9  -6.027  14.950   8.551
   68    HG3  PRO   9           HG1      PRO   9  -6.572  16.325   7.559
   69    HD2  PRO   9           HD2      PRO   9  -5.404  13.676   6.666
   70    HD3  PRO   9           HD1      PRO   9  -6.812  14.554   6.023
   71    H    ILE  10           HN       ILE  10  -2.871  14.084   5.777
   72    HA   ILE  10           HA       ILE  10  -0.165  14.770   6.418
   73    HB   ILE  10           HB       ILE  10  -1.102  12.380   4.757
   74   HG12  ILE  10          HG12      ILE  10  -2.218  12.437   7.005
   75   HG13  ILE  10          HG11      ILE  10  -1.157  11.050   6.815
   76   HG21  ILE  10          HG21      ILE  10   1.033  11.305   5.513
   77   HG22  ILE  10          HG22      ILE  10   1.514  12.829   6.257
   78   HG23  ILE  10          HG23      ILE  10   1.301  12.732   4.509
   79   HD11  ILE  10          HD11      ILE  10  -1.012  12.033   9.034
   80   HD12  ILE  10          HD12      ILE  10  -0.482  13.564   8.341
   81   HD13  ILE  10          HD13      ILE  10   0.532  12.125   8.191
   82    H    PHE  11           HN       PHE  11  -1.943  14.351   3.351
   83    HA   PHE  11           HA       PHE  11   0.246  14.922   1.599
   84    HB2  PHE  11           HB2      PHE  11  -2.770  14.897   1.166
   85    HB3  PHE  11           HB1      PHE  11  -1.643  15.287  -0.128
   86    HD1  PHE  11           HD1      PHE  11  -1.932  12.584   2.491
   87    HD2  PHE  11           HD2      PHE  11  -1.297  13.521  -1.625
   88    HE1  PHE  11           HE1      PHE  11  -1.780  10.193   1.970
   89    HE2  PHE  11           HE2      PHE  11  -1.147  11.122  -2.128
   90    HZ   PHE  11           HZ       PHE  11  -1.390   9.458  -0.342
   91    H    ARG  12           HN       ARG  12  -2.352  16.910   3.018
   92    HA   ARG  12           HA       ARG  12  -1.693  19.335   1.673
   93    HB2  ARG  12           HB2      ARG  12  -3.257  18.757   4.215
   94    HB3  ARG  12           HB1      ARG  12  -3.052  20.393   3.585
   95    HG2  ARG  12           HG2      ARG  12  -4.155  19.706   1.469
   96    HG3  ARG  12           HG1      ARG  12  -4.390  18.084   2.128
   97    HD2  ARG  12           HD2      ARG  12  -5.859  18.955   3.864
   98    HD3  ARG  12           HD1      ARG  12  -5.543  20.619   3.350
   99    HE   ARG  12           HE       ARG  12  -6.508  19.313   1.130
  100   HH11  ARG  12          HH11      ARG  12  -7.801  20.027   4.320
  101   HH12  ARG  12          HH12      ARG  12  -9.439  20.105   3.758
  102   HH21  ARG  12          HH21      ARG  12  -8.633  19.383   0.426
  103   HH22  ARG  12          HH22      ARG  12  -9.910  19.741   1.544
  104    H    GLN  13           HN       GLN  13  -0.348  17.760   4.504
  105    HA   GLN  13           HA       GLN  13   1.173  20.003   5.447
  106    HB2  GLN  13           HB2      GLN  13   0.551  18.151   6.955
  107    HB3  GLN  13           HB1      GLN  13   1.434  17.004   5.961
  108    HG2  GLN  13           HG2      GLN  13   2.679  17.523   7.988
  109    HG3  GLN  13           HG1      GLN  13   3.558  18.101   6.574
  110   HE21  GLN  13          HE21      GLN  13   3.799  20.338   6.263
  111   HE22  GLN  13          HE22      GLN  13   3.462  21.483   7.512
  112    H    VAL  14           HN       VAL  14   2.059  16.979   3.758
  113    HA   VAL  14           HA       VAL  14   4.773  17.495   3.335
  114    HB   VAL  14           HB       VAL  14   2.859  15.642   1.842
  115   HG11  VAL  14          HG11      VAL  14   4.752  16.091   0.342
  116   HG12  VAL  14          HG12      VAL  14   4.869  14.448   0.971
  117   HG13  VAL  14          HG13      VAL  14   5.898  15.720   1.634
  118   HG21  VAL  14          HG21      VAL  14   3.158  15.102   4.229
  119   HG22  VAL  14          HG22      VAL  14   4.912  15.067   4.021
  120   HG23  VAL  14          HG23      VAL  14   3.904  13.862   3.214
  121    H    PHE  15           HN       PHE  15   2.061  17.854   1.045
  122    HA   PHE  15           HA       PHE  15   3.757  19.036  -0.994
  123    HB2  PHE  15           HB2      PHE  15   0.755  18.484  -0.958
  124    HB3  PHE  15           HB1      PHE  15   1.634  19.122  -2.348
  125    HD1  PHE  15           HD1      PHE  15   3.324  17.705  -3.531
  126    HD2  PHE  15           HD2      PHE  15   0.900  16.111  -0.390
  127    HE1  PHE  15           HE1      PHE  15   3.940  15.424  -4.198
  128    HE2  PHE  15           HE2      PHE  15   1.522  13.837  -1.069
  129    HZ   PHE  15           HZ       PHE  15   3.047  13.492  -2.969
  130    H    ASP  16           HN       ASP  16   2.011  20.218   1.696
  131    HA   ASP  16           HA       ASP  16   1.577  22.260   2.533
  132    HB2  ASP  16           HB2      ASP  16   3.959  22.692   2.166
  133    HB3  ASP  16           HB1      ASP  16   3.669  23.127   0.486
  134    H    ASP  17           HN       ASP  17  -0.615  22.169   1.873
  135    HA   ASP  17           HA       ASP  17  -1.510  24.146  -0.002
  136    HB2  ASP  17           HB2      ASP  17  -0.689  22.144  -1.458
  137    HB3  ASP  17           HB1      ASP  17  -2.070  21.252  -0.829
  138    H    ASP  18           HN       ASP  18  -4.013  23.794  -0.376
  139    HA   ASP  18           HA       ASP  18  -5.334  22.688   2.045
  140    HB2  ASP  18           HB2      ASP  18  -4.938  25.159   2.307
  141    HB3  ASP  18           HB1      ASP  18  -5.862  25.446   0.838
  142    H    SER  19           HN       SER  19  -5.401  23.431  -1.349
  143    HA   SER  19           HA       SER  19  -8.227  22.874  -1.761
  144    HB2  SER  19           HB2      SER  19  -6.016  23.400  -3.801
  145    HB3  SER  19           HB1      SER  19  -7.749  23.364  -4.140
  146    HG   SER  19           HG       SER  19  -7.745  25.060  -2.345
  147    H    ILE  20           HN       ILE  20  -5.303  20.995  -1.674
  148    HA   ILE  20           HA       ILE  20  -6.014  18.933  -3.516
  149    HB   ILE  20           HB       ILE  20  -4.110  18.862  -1.126
  150   HG12  ILE  20          HG12      ILE  20  -3.543  19.016  -4.130
  151   HG13  ILE  20          HG11      ILE  20  -3.430  20.367  -3.009
  152   HG21  ILE  20          HG21      ILE  20  -3.198  16.738  -2.049
  153   HG22  ILE  20          HG22      ILE  20  -4.469  16.726  -3.272
  154   HG23  ILE  20          HG23      ILE  20  -4.886  16.560  -1.567
  155   HD11  ILE  20          HD11      ILE  20  -1.573  19.244  -1.858
  156   HD12  ILE  20          HD12      ILE  20  -1.241  19.494  -3.571
  157   HD13  ILE  20          HD13      ILE  20  -1.693  17.892  -2.991
  158    H    VAL  21           HN       VAL  21  -7.882  17.881  -3.322
  159    HA   VAL  21           HA       VAL  21  -8.767  16.803  -0.700
  160    HB   VAL  21           HB       VAL  21 -10.499  17.367  -3.175
  161   HG11  VAL  21          HG11      VAL  21 -12.422  16.918  -1.688
  162   HG12  VAL  21          HG12      VAL  21 -11.321  16.565  -0.356
  163   HG13  VAL  21          HG13      VAL  21 -11.351  15.516  -1.774
  164   HG21  VAL  21          HG21      VAL  21  -9.762  19.503  -2.191
  165   HG22  VAL  21          HG22      VAL  21 -10.338  18.991  -0.602
  166   HG23  VAL  21          HG23      VAL  21 -11.490  19.255  -1.915
  167    H    LEU  22           HN       LEU  22  -8.239  14.650  -0.648
  168    HA   LEU  22           HA       LEU  22  -7.016  13.431  -2.890
  169    HB2  LEU  22           HB2      LEU  22  -7.918  12.186  -0.271
  170    HB3  LEU  22           HB1      LEU  22  -6.909  11.378  -1.470
  171    HG   LEU  22           HG       LEU  22  -6.175  13.794   0.224
  172   HD11  LEU  22          HD11      LEU  22  -4.420  12.339   1.091
  173   HD12  LEU  22          HD12      LEU  22  -4.973  11.016   0.064
  174   HD13  LEU  22          HD13      LEU  22  -6.012  11.633   1.353
  175   HD21  LEU  22          HD21      LEU  22  -4.562  12.574  -2.053
  176   HD22  LEU  22          HD22      LEU  22  -3.984  13.798  -0.919
  177   HD23  LEU  22          HD23      LEU  22  -5.293  14.184  -2.030
  178    H    THR  23           HN       THR  23  -7.770  12.215  -4.425
  179    HA   THR  23           HA       THR  23 -10.378  10.836  -4.187
  180    HB   THR  23           HB       THR  23 -10.783  11.187  -6.590
  181    HG1  THR  23           HG1      THR  23  -9.086  12.991  -7.381
  182   HG21  THR  23          HG21      THR  23 -10.100  13.854  -5.281
  183   HG22  THR  23          HG22      THR  23 -11.632  12.988  -5.115
  184   HG23  THR  23          HG23      THR  23 -11.146  13.629  -6.686
  185    H    ARG  24           HN       ARG  24 -10.411   8.944  -5.664
  186    HA   ARG  24           HA       ARG  24  -8.178   7.256  -5.388
  187    HB2  ARG  24           HB2      ARG  24 -10.566   6.925  -7.242
  188    HB3  ARG  24           HB1      ARG  24  -9.486   5.642  -6.693
  189    HG2  ARG  24           HG2      ARG  24 -10.259   5.945  -4.378
  190    HG3  ARG  24           HG1      ARG  24 -11.294   7.288  -4.878
  191    HD2  ARG  24           HD2      ARG  24 -12.538   5.663  -6.362
  192    HD3  ARG  24           HD1      ARG  24 -11.578   4.360  -5.651
  193    HE   ARG  24           HE       ARG  24 -13.345   6.118  -4.045
  194   HH11  ARG  24          HH11      ARG  24 -12.136   2.903  -4.755
  195   HH12  ARG  24          HH12      ARG  24 -13.199   2.133  -3.623
  196   HH21  ARG  24          HH21      ARG  24 -14.701   5.116  -2.551
  197   HH22  ARG  24          HH22      ARG  24 -14.679   3.391  -2.390
  198    H    GLU  25           HN       GLU  25  -8.801   9.677  -7.753
  199    HA   GLU  25           HA       GLU  25  -6.939   8.491  -9.726
  200    HB2  GLU  25           HB2      GLU  25  -7.984  10.070 -11.359
  201    HB3  GLU  25           HB1      GLU  25  -9.131   8.925 -10.667
  202    HG2  GLU  25           HG2      GLU  25  -9.962  10.659  -9.122
  203    HG3  GLU  25           HG1      GLU  25  -8.813  11.820  -9.796
  204    H    THR  26           HN       THR  26  -7.018  10.842  -7.257
  205    HA   THR  26           HA       THR  26  -5.455  12.946  -8.257
  206    HB   THR  26           HB       THR  26  -5.409  11.734  -5.449
  207    HG1  THR  26           HG1      THR  26  -7.163  13.360  -6.777
  208   HG21  THR  26          HG21      THR  26  -4.434  14.469  -6.360
  209   HG22  THR  26          HG22      THR  26  -3.414  13.146  -5.780
  210   HG23  THR  26          HG23      THR  26  -4.557  13.922  -4.684
  211    H    SER  27           HN       SER  27  -3.246  13.189  -8.646
  212    HA   SER  27           HA       SER  27  -1.200  11.310  -7.966
  213    HB2  SER  27           HB2      SER  27  -0.805  10.494 -10.334
  214    HB3  SER  27           HB1      SER  27  -2.310   9.894  -9.634
  215    HG   SER  27           HG       SER  27  -3.377  10.901 -11.119
  216    H    ALA  28           HN       ALA  28   0.779  11.806  -9.731
  217    HA   ALA  28           HA       ALA  28   1.152  14.660  -9.851
  218    HB1  ALA  28           HB1      ALA  28   3.247  14.118 -10.995
  219    HB2  ALA  28           HB2      ALA  28   2.741  12.431 -11.122
  220    HB3  ALA  28           HB3      ALA  28   3.022  13.148  -9.539
  221    H    ASN  29           HN       ASN  29  -0.912  12.901 -11.664
  222    HA   ASN  29           HA       ASN  29  -0.473  14.358 -14.186
  223    HB2  ASN  29           HB2      ASN  29  -0.991  11.900 -14.316
  224    HB3  ASN  29           HB1      ASN  29  -2.517  12.190 -13.490
  225   HD21  ASN  29          HD21      ASN  29  -1.031  14.187 -16.042
  226   HD22  ASN  29          HD22      ASN  29  -2.275  13.924 -17.212
  227    H    ASP  30           HN       ASP  30  -2.786  13.809 -11.539
  228    HA   ASP  30           HA       ASP  30  -4.581  15.943 -12.180
  229    HB2  ASP  30           HB2      ASP  30  -5.308  14.039 -10.821
  230    HB3  ASP  30           HB1      ASP  30  -4.094  14.389  -9.601
  231    H    ILE  31           HN       ILE  31  -1.554  15.740 -10.414
  232    HA   ILE  31           HA       ILE  31  -1.825  18.528  -9.446
  233    HB   ILE  31           HB       ILE  31  -0.496  16.236  -7.906
  234   HG12  ILE  31          HG12      ILE  31  -3.024  17.839  -7.270
  235   HG13  ILE  31          HG11      ILE  31  -2.970  16.142  -7.738
  236   HG21  ILE  31          HG21      ILE  31  -0.734  19.188  -7.157
  237   HG22  ILE  31          HG22      ILE  31   0.752  18.356  -7.620
  238   HG23  ILE  31          HG23      ILE  31  -0.070  17.921  -6.123
  239   HD11  ILE  31          HD11      ILE  31  -3.359  16.406  -5.364
  240   HD12  ILE  31          HD12      ILE  31  -1.861  17.317  -5.187
  241   HD13  ILE  31          HD13      ILE  31  -1.810  15.612  -5.646
  242    H    ASP  32           HN       ASP  32  -0.634  19.489 -10.878
  243    HA   ASP  32           HA       ASP  32   1.608  18.464 -12.266
  244    HB2  ASP  32           HB2      ASP  32   0.238  20.267 -13.206
  245    HB3  ASP  32           HB1      ASP  32   0.673  21.341 -11.881
  246    H    ALA  33           HN       ALA  33   1.337  20.070  -9.177
  247    HA   ALA  33           HA       ALA  33   4.150  20.733  -8.899
  248    HB1  ALA  33           HB1      ALA  33   3.530  21.489  -6.651
  249    HB2  ALA  33           HB2      ALA  33   1.936  20.744  -6.818
  250    HB3  ALA  33           HB3      ALA  33   2.386  22.106  -7.846
  251    H    TRP  34           HN       TRP  34   2.571  17.774  -8.722
  252    HA   TRP  34           HA       TRP  34   3.869  16.662  -6.367
  253    HB2  TRP  34           HB2      TRP  34   1.574  15.978  -7.170
  254    HB3  TRP  34           HB1      TRP  34   2.317  15.235  -8.568
  255    HD1  TRP  34           HD1      TRP  34   4.578  13.439  -7.277
  256    HE1  TRP  34           HE1      TRP  34   3.963  11.477  -5.748
  257    HE3  TRP  34           HE3      TRP  34  -0.149  14.873  -5.923
  258    HZ2  TRP  34           HZ2      TRP  34   1.822  10.630  -4.185
  259    HZ3  TRP  34           HZ3      TRP  34  -1.422  13.408  -4.405
  260    HH2  TRP  34           HH2      TRP  34  -0.448  11.329  -3.559
  261    H    ASP  35           HN       ASP  35   6.075  17.191  -7.055
  262    HA   ASP  35           HA       ASP  35   7.415  15.573  -9.007
  263    HB2  ASP  35           HB2      ASP  35   8.521  17.018  -6.547
  264    HB3  ASP  35           HB1      ASP  35   9.508  16.288  -7.813
  265    H    SER  36           HN       SER  36   9.004  13.911  -8.509
  266    HA   SER  36           HA       SER  36   8.013  11.872  -6.805
  267    HB2  SER  36           HB2      SER  36  10.384  10.773  -7.391
  268    HB3  SER  36           HB1      SER  36   9.056  10.802  -8.540
  269    H    LEU  37           HN       LEU  37  10.355  14.382  -6.370
  270    HA   LEU  37           HA       LEU  37  11.649  13.530  -4.002
  271    HB2  LEU  37           HB2      LEU  37  10.896  16.358  -4.873
  272    HB3  LEU  37           HB1      LEU  37  11.923  16.000  -3.500
  273    HG   LEU  37           HG       LEU  37  13.385  16.661  -5.241
  274   HD11  LEU  37          HD11      LEU  37  14.816  14.738  -5.631
  275   HD12  LEU  37          HD12      LEU  37  13.507  13.639  -5.189
  276   HD13  LEU  37          HD13      LEU  37  14.189  14.732  -3.982
  277   HD21  LEU  37          HD21      LEU  37  12.036  14.727  -7.148
  278   HD22  LEU  37          HD22      LEU  37  13.415  15.769  -7.514
  279   HD23  LEU  37          HD23      LEU  37  11.849  16.483  -7.140
  280    H    SER  38           HN       SER  38   8.642  15.294  -4.540
  281    HA   SER  38           HA       SER  38   7.947  15.658  -1.767
  282    HB2  SER  38           HB2      SER  38   6.190  15.972  -4.240
  283    HB3  SER  38           HB1      SER  38   5.926  16.701  -2.652
  284    HG   SER  38           HG       SER  38   8.289  17.499  -3.288
  285    H    HIS  39           HN       HIS  39   7.233  13.379  -4.311
  286    HA   HIS  39           HA       HIS  39   5.135  11.858  -3.224
  287    HB2  HIS  39           HB2      HIS  39   5.811  11.706  -5.584
  288    HB3  HIS  39           HB1      HIS  39   7.396  11.103  -5.130
  289    HD2  HIS  39           HD2      HIS  39   7.559   8.396  -4.644
  290    HE1  HIS  39           HE1      HIS  39   3.568   7.563  -5.725
  291    HE2  HIS  39           HE2      HIS  39   5.860   6.578  -5.348
  292    H    MET  40           HN       MET  40   8.682  11.454  -3.011
  293    HA   MET  40           HA       MET  40   8.616   9.070  -1.430
  294    HB2  MET  40           HB2      MET  40  10.835  11.083  -1.949
  295    HB3  MET  40           HB1      MET  40  11.066   9.643  -0.963
  296    HG2  MET  40           HG2      MET  40  10.305   9.686  -3.890
  297    HG3  MET  40           HG1      MET  40  11.888   9.278  -3.220
  298    HE1  MET  40           HE1      MET  40  11.023   5.912  -1.285
  299    HE2  MET  40           HE2      MET  40  10.990   7.539  -0.606
  300    HE3  MET  40           HE3      MET  40  12.310   7.054  -1.677
  301    H    ASN  41           HN       ASN  41   8.964  12.529  -0.678
  302    HA   ASN  41           HA       ASN  41   9.288  12.425   2.109
  303    HB2  ASN  41           HB2      ASN  41   7.868  14.517   0.399
  304    HB3  ASN  41           HB1      ASN  41   8.252  14.747   2.104
  305   HD21  ASN  41          HD21      ASN  41   9.132  16.254  -0.228
  306   HD22  ASN  41          HD22      ASN  41  10.856  16.204  -0.210
  307    H    LEU  42           HN       LEU  42   6.378  12.247   0.110
  308    HA   LEU  42           HA       LEU  42   4.457  12.364   2.185
  309    HB2  LEU  42           HB2      LEU  42   4.020  12.837  -0.221
  310    HB3  LEU  42           HB1      LEU  42   4.252  11.145  -0.605
  311    HG   LEU  42           HG       LEU  42   1.838  12.059  -0.498
  312   HD11  LEU  42          HD11      LEU  42   2.470   9.569   1.109
  313   HD12  LEU  42          HD12      LEU  42   2.278   9.672  -0.643
  314   HD13  LEU  42          HD13      LEU  42   0.905   9.988   0.410
  315   HD21  LEU  42          HD21      LEU  42   0.766  12.148   1.696
  316   HD22  LEU  42          HD22      LEU  42   2.057  13.338   1.586
  317   HD23  LEU  42          HD23      LEU  42   2.310  11.844   2.496
  318    H    ILE  43           HN       ILE  43   5.876   9.598   0.431
  319    HA   ILE  43           HA       ILE  43   4.368   7.580   1.704
  320    HB   ILE  43           HB       ILE  43   6.810   7.611  -0.053
  321   HG12  ILE  43          HG12      ILE  43   5.452   5.971  -1.393
  322   HG13  ILE  43          HG11      ILE  43   4.191   6.032  -0.171
  323   HG21  ILE  43          HG21      ILE  43   7.180   5.163   0.133
  324   HG22  ILE  43          HG22      ILE  43   6.082   5.116   1.516
  325   HG23  ILE  43          HG23      ILE  43   7.592   6.024   1.617
  326   HD11  ILE  43          HD11      ILE  43   5.078   8.263  -1.982
  327   HD12  ILE  43          HD12      ILE  43   3.867   8.421  -0.709
  328   HD13  ILE  43          HD13      ILE  43   3.580   7.339  -2.070
  329    H    VAL  44           HN       VAL  44   7.625   8.883   2.473
  330    HA   VAL  44           HA       VAL  44   8.110   7.070   4.617
  331    HB   VAL  44           HB       VAL  44  10.006   8.468   5.224
  332   HG11  VAL  44          HG11      VAL  44  11.282   8.344   3.109
  333   HG12  VAL  44          HG12      VAL  44   9.774   8.153   2.210
  334   HG13  VAL  44          HG13      VAL  44  10.285   6.905   3.350
  335   HG21  VAL  44          HG21      VAL  44   9.003  10.493   3.195
  336   HG22  VAL  44          HG22      VAL  44  10.556  10.573   4.035
  337   HG23  VAL  44          HG23      VAL  44   9.050  10.710   4.945
  338    H    SER  45           HN       SER  45   6.532  10.231   4.432
  339    HA   SER  45           HA       SER  45   6.177  10.681   7.210
  340    HB2  SER  45           HB2      SER  45   4.468  11.543   4.845
  341    HB3  SER  45           HB1      SER  45   4.152  12.063   6.500
  342    HG   SER  45           HG       SER  45   6.626  12.448   5.167
  343    H    LEU  46           HN       LEU  46   4.265   8.763   4.869
  344    HA   LEU  46           HA       LEU  46   2.160   8.061   6.655
  345    HB2  LEU  46           HB2      LEU  46   3.195   6.429   4.299
  346    HB3  LEU  46           HB1      LEU  46   1.621   6.273   5.069
  347    HG   LEU  46           HG       LEU  46   2.590   8.620   3.388
  348   HD11  LEU  46          HD11      LEU  46   0.839   7.946   1.808
  349   HD12  LEU  46          HD12      LEU  46   0.427   6.569   2.834
  350   HD13  LEU  46          HD13      LEU  46   2.011   6.653   2.060
  351   HD21  LEU  46          HD21      LEU  46   0.329   9.568   3.658
  352   HD22  LEU  46          HD22      LEU  46   1.192   9.474   5.189
  353   HD23  LEU  46          HD23      LEU  46  -0.066   8.294   4.818
  354    H    GLU  47           HN       GLU  47   5.292   6.619   5.896
  355    HA   GLU  47           HA       GLU  47   5.037   4.194   7.299
  356    HB2  GLU  47           HB2      GLU  47   7.494   5.790   6.488
  357    HB3  GLU  47           HB1      GLU  47   7.573   4.170   7.179
  358    HG2  GLU  47           HG2      GLU  47   6.226   3.311   5.278
  359    HG3  GLU  47           HG1      GLU  47   6.197   4.931   4.586
  360    H    VAL  48           HN       VAL  48   6.635   7.251   8.342
  361    HA   VAL  48           HA       VAL  48   7.287   6.238  10.920
  362    HB   VAL  48           HB       VAL  48   7.931   8.564  11.506
  363   HG11  VAL  48          HG11      VAL  48   9.786   8.784   9.905
  364   HG12  VAL  48          HG12      VAL  48   8.984   7.659   8.807
  365   HG13  VAL  48          HG13      VAL  48   9.551   7.101  10.384
  366   HG21  VAL  48          HG21      VAL  48   6.935   9.329   8.734
  367   HG22  VAL  48          HG22      VAL  48   7.849  10.377   9.822
  368   HG23  VAL  48          HG23      VAL  48   6.229   9.845  10.268
  369    H    HIS  49           HN       HIS  49   4.575   8.250   9.751
  370    HA   HIS  49           HA       HIS  49   3.456   8.889  12.275
  371    HB2  HIS  49           HB2      HIS  49   2.329   8.893   9.463
  372    HB3  HIS  49           HB1      HIS  49   1.272   9.209  10.832
  373    HD1  HIS  49           HD1      HIS  49   0.936  11.621  11.131
  374    HD2  HIS  49           HD2      HIS  49   4.769  10.798   9.772
  375    HE1  HIS  49           HE1      HIS  49   2.062  13.850  10.906
  376    HE2  HIS  49           HE2      HIS  49   4.324  13.336   9.936
  377    H    TYR  50           HN       TYR  50   2.487   6.360   9.926
  378    HA   TYR  50           HA       TYR  50   0.523   5.284  11.802
  379    HB2  TYR  50           HB2      TYR  50   1.185   4.497   8.939
  380    HB3  TYR  50           HB1      TYR  50  -0.135   3.821   9.880
  381    HD1  TYR  50           HD1      TYR  50  -2.101   5.297  10.519
  382    HD2  TYR  50           HD2      TYR  50   0.934   6.659   7.838
  383    HE1  TYR  50           HE1      TYR  50  -3.585   7.102   9.754
  384    HE2  TYR  50           HE2      TYR  50  -0.550   8.459   7.073
  385    HH   TYR  50           HH       TYR  50  -3.031   8.908   6.978
  386    H    LYS  51           HN       LYS  51   3.762   4.815  11.440
  387    HA   LYS  51           HA       LYS  51   5.300   3.305  12.113
  388    HB2  LYS  51           HB2      LYS  51   2.953   2.088  13.635
  389    HB3  LYS  51           HB1      LYS  51   4.578   1.442  13.747
  390    HG2  LYS  51           HG2      LYS  51   4.205   2.797  15.683
  391    HG3  LYS  51           HG1      LYS  51   5.346   3.661  14.643
  392    HD2  LYS  51           HD2      LYS  51   3.488   5.083  13.812
  393    HD3  LYS  51           HD1      LYS  51   2.357   4.209  14.851
  394    HE2  LYS  51           HE2      LYS  51   3.507   5.048  16.840
  395    HE3  LYS  51           HE1      LYS  51   4.719   5.841  15.834
  396    HZ1  LYS  51           HZ1      LYS  51   1.830   6.483  15.907
  397    HZ2  LYS  51           HZ2      LYS  51   2.968   7.229  14.906
  398    HZ3  LYS  51           HZ3      LYS  51   3.070   7.400  16.583
  399    H    ILE  52           HN       ILE  52   4.127   3.008   9.586
  400    HA   ILE  52           HA       ILE  52   4.009   0.083   9.109
  401    HB   ILE  52           HB       ILE  52   2.732   0.596   7.056
  402   HG12  ILE  52          HG12      ILE  52   2.863   3.512   7.977
  403   HG13  ILE  52          HG11      ILE  52   3.583   2.847   6.513
  404   HG21  ILE  52          HG21      ILE  52   1.506   1.839   9.545
  405   HG22  ILE  52          HG22      ILE  52   1.529   0.121   9.145
  406   HG23  ILE  52          HG23      ILE  52   0.613   1.243   8.143
  407   HD11  ILE  52          HD11      ILE  52   1.587   4.093   5.992
  408   HD12  ILE  52          HD12      ILE  52   0.633   3.107   7.099
  409   HD13  ILE  52          HD13      ILE  52   1.322   2.384   5.642
  410    H    LYS  53           HN       LYS  53   4.590  -0.106   6.468
  411    HA   LYS  53           HA       LYS  53   7.005   1.396   5.831
  412    HB2  LYS  53           HB2      LYS  53   7.701  -0.406   7.472
  413    HB3  LYS  53           HB1      LYS  53   7.200  -1.616   6.306
  414    HG2  LYS  53           HG2      LYS  53   9.255   0.456   5.524
  415    HG3  LYS  53           HG1      LYS  53   9.738  -0.899   6.538
  416    HD2  LYS  53           HD2      LYS  53   8.504  -1.126   3.760
  417    HD3  LYS  53           HD1      LYS  53  10.223  -1.292   4.143
  418    HE2  LYS  53           HE2      LYS  53   9.672  -3.252   5.586
  419    HE3  LYS  53           HE1      LYS  53   7.976  -3.095   5.114
  420    HZ1  LYS  53           HZ1      LYS  53   9.040  -4.760   3.816
  421    HZ2  LYS  53           HZ2      LYS  53  10.260  -3.702   3.328
  422    HZ3  LYS  53           HZ3      LYS  53   8.668  -3.457   2.814
  423    H    PHE  54           HN       PHE  54   6.861   1.782   3.725
  424    HA   PHE  54           HA       PHE  54   5.730  -0.208   1.841
  425    HB2  PHE  54           HB2      PHE  54   6.394   2.738   1.354
  426    HB3  PHE  54           HB1      PHE  54   5.602   1.649   0.222
  427    HD1  PHE  54           HD2      PHE  54   3.233   0.901   0.638
  428    HD2  PHE  54           HD1      PHE  54   5.155   3.824   3.113
  429    HE1  PHE  54           HE2      PHE  54   1.059   1.618   1.518
  430    HE2  PHE  54           HE1      PHE  54   2.966   4.523   3.966
  431    HZ   PHE  54           HZ       PHE  54   0.920   3.419   3.169
  432    H    ALA  55           HN       ALA  55   7.026  -0.997   0.199
  433    HA   ALA  55           HA       ALA  55   9.924  -0.424   0.298
  434    HB1  ALA  55           HB1      ALA  55   8.435  -2.756  -0.970
  435    HB2  ALA  55           HB2      ALA  55   9.274  -2.791   0.584
  436    HB3  ALA  55           HB3      ALA  55  10.189  -2.555  -0.908
  437    H    LEU  56           HN       LEU  56  11.045  -0.040  -1.711
  438    HA   LEU  56           HA       LEU  56   9.968   1.939  -3.294
  439    HB2  LEU  56           HB2      LEU  56  12.415   1.353  -2.848
  440    HB3  LEU  56           HB1      LEU  56  12.296   0.160  -4.121
  441    HG   LEU  56           HG       LEU  56  13.404   2.409  -4.702
  442   HD11  LEU  56          HD11      LEU  56  12.512   2.554  -6.964
  443   HD12  LEU  56          HD12      LEU  56  11.131   1.555  -6.503
  444   HD13  LEU  56          HD13      LEU  56  12.760   0.881  -6.471
  445   HD21  LEU  56          HD21      LEU  56  10.550   3.435  -4.729
  446   HD22  LEU  56          HD22      LEU  56  11.999   4.311  -5.238
  447   HD23  LEU  56          HD23      LEU  56  11.795   3.865  -3.548
  448    H    GLY  57           HN       GLY  57  10.029  -1.528  -3.965
  449    HA2  GLY  57           HA2      GLY  57   9.225  -1.537  -6.666
  450    HA3  GLY  57           HA1      GLY  57   8.933  -2.834  -5.511
  451    H    GLU  58           HN       GLU  58   7.303  -1.571  -3.663
  452    HA   GLU  58           HA       GLU  58   4.714  -1.652  -4.864
  453    HB2  GLU  58           HB2      GLU  58   5.491  -0.560  -2.126
  454    HB3  GLU  58           HB1      GLU  58   3.865  -1.015  -2.639
  455    HG2  GLU  58           HG2      GLU  58   4.593  -3.363  -2.835
  456    HG3  GLU  58           HG1      GLU  58   6.218  -2.907  -2.309
  457    H    LEU  59           HN       LEU  59   6.968   0.942  -4.126
  458    HA   LEU  59           HA       LEU  59   5.140   3.127  -4.258
  459    HB2  LEU  59           HB2      LEU  59   8.138   3.205  -4.784
  460    HB3  LEU  59           HB1      LEU  59   7.106   4.578  -4.402
  461    HG   LEU  59           HG       LEU  59   7.966   2.327  -2.558
  462   HD11  LEU  59          HD11      LEU  59   8.345   5.324  -2.342
  463   HD12  LEU  59          HD12      LEU  59   9.571   4.142  -2.797
  464   HD13  LEU  59          HD13      LEU  59   8.891   4.114  -1.176
  465   HD21  LEU  59          HD21      LEU  59   5.823   4.396  -2.017
  466   HD22  LEU  59          HD22      LEU  59   6.556   3.348  -0.802
  467   HD23  LEU  59          HD23      LEU  59   5.618   2.645  -2.114
  468    H    GLN  60           HN       GLN  60   7.228   1.536  -6.635
  469    HA   GLN  60           HA       GLN  60   6.545   3.157  -8.863
  470    HB2  GLN  60           HB2      GLN  60   7.488   0.260  -8.905
  471    HB3  GLN  60           HB1      GLN  60   7.588   1.413 -10.233
  472    HG2  GLN  60           HG2      GLN  60   9.204   1.344  -7.672
  473    HG3  GLN  60           HG1      GLN  60   9.782   1.247  -9.335
  474   HE21  GLN  60          HE21      GLN  60   8.823   3.340  -6.750
  475   HE22  GLN  60          HE22      GLN  60   9.220   4.842  -7.505
  476    H    LYS  61           HN       LYS  61   4.629   0.910  -7.167
  477    HA   LYS  61           HA       LYS  61   2.799   0.429  -9.428
  478    HB2  LYS  61           HB2      LYS  61   2.414  -0.542  -6.565
  479    HB3  LYS  61           HB1      LYS  61   1.656  -1.163  -8.028
  480    HG2  LYS  61           HG2      LYS  61   4.523  -1.516  -7.124
  481    HG3  LYS  61           HG1      LYS  61   3.279  -2.760  -7.287
  482    HD2  LYS  61           HD2      LYS  61   3.327  -2.468  -9.752
  483    HD3  LYS  61           HD1      LYS  61   4.544  -1.195  -9.584
  484    HE2  LYS  61           HE2      LYS  61   6.068  -2.900  -8.522
  485    HE3  LYS  61           HE1      LYS  61   4.868  -4.140  -8.899
  486    HZ1  LYS  61           HZ1      LYS  61   5.106  -3.574 -11.243
  487    HZ2  LYS  61           HZ2      LYS  61   6.582  -4.049 -10.565
  488    HZ3  LYS  61           HZ3      LYS  61   6.278  -2.415 -10.853
  489    H    LEU  62           HN       LEU  62   3.302   2.781  -7.039
  490    HA   LEU  62           HA       LEU  62   0.510   3.375  -6.461
  491    HB2  LEU  62           HB2      LEU  62   3.023   4.968  -5.788
  492    HB3  LEU  62           HB1      LEU  62   1.406   5.303  -5.185
  493    HG   LEU  62           HG       LEU  62   3.070   2.838  -4.529
  494   HD11  LEU  62          HD11      LEU  62   2.363   5.224  -2.792
  495   HD12  LEU  62          HD12      LEU  62   3.949   4.858  -3.469
  496   HD13  LEU  62          HD13      LEU  62   3.241   3.781  -2.272
  497   HD21  LEU  62          HD21      LEU  62   1.313   2.298  -2.887
  498   HD22  LEU  62          HD22      LEU  62   0.696   2.276  -4.536
  499   HD23  LEU  62          HD23      LEU  62   0.338   3.646  -3.482
  500    H    LYS  63           HN       LYS  63  -0.288   3.770  -8.610
  501    HA   LYS  63           HA       LYS  63   0.893   5.852 -10.248
  502    HB2  LYS  63           HB2      LYS  63  -0.217   3.830 -11.243
  503    HB3  LYS  63           HB1      LYS  63  -1.767   4.414 -10.635
  504    HG2  LYS  63           HG2      LYS  63  -1.442   6.504 -11.989
  505    HG3  LYS  63           HG1      LYS  63   0.025   5.791 -12.662
  506    HD2  LYS  63           HD2      LYS  63  -1.359   3.944 -13.624
  507    HD3  LYS  63           HD1      LYS  63  -2.808   4.729 -12.980
  508    HE2  LYS  63           HE2      LYS  63  -0.912   5.869 -15.071
  509    HE3  LYS  63           HE1      LYS  63  -2.561   5.296 -15.339
  510    HZ1  LYS  63           HZ1      LYS  63  -1.819   7.605 -13.618
  511    HZ2  LYS  63           HZ2      LYS  63  -3.387   7.073 -13.953
  512    HZ3  LYS  63           HZ3      LYS  63  -2.434   7.713 -15.185
  513    H    ASN  64           HN       ASN  64  -1.703   5.516  -7.967
  514    HA   ASN  64           HA       ASN  64  -2.298   8.393  -8.008
  515    HB2  ASN  64           HB2      ASN  64  -4.532   6.293  -8.042
  516    HB3  ASN  64           HB1      ASN  64  -4.723   8.046  -8.028
  517   HD21  ASN  64          HD21      ASN  64  -4.014   5.256  -9.961
  518   HD22  ASN  64          HD22      ASN  64  -4.108   6.037 -11.496
  519    H    VAL  65           HN       VAL  65  -3.788   8.899  -6.109
  520    HA   VAL  65           HA       VAL  65  -2.817   7.801  -3.654
  521    HB   VAL  65           HB       VAL  65  -5.157   9.734  -4.054
  522   HG11  VAL  65          HG11      VAL  65  -4.692  10.468  -1.742
  523   HG12  VAL  65          HG12      VAL  65  -3.396   9.274  -1.609
  524   HG13  VAL  65          HG13      VAL  65  -5.069   8.748  -1.784
  525   HG21  VAL  65          HG21      VAL  65  -2.208  10.383  -3.627
  526   HG22  VAL  65          HG22      VAL  65  -3.528  11.559  -3.700
  527   HG23  VAL  65          HG23      VAL  65  -3.111  10.610  -5.128
  528    H    GLY  66           HN       GLY  66  -5.346   6.921  -5.797
  529    HA2  GLY  66           HA2      GLY  66  -7.050   5.464  -4.053
  530    HA3  GLY  66           HA1      GLY  66  -6.803   5.154  -5.774
  531    H    ASP  67           HN       ASP  67  -3.999   4.712  -5.737
  532    HA   ASP  67           HA       ASP  67  -3.717   2.024  -4.889
  533    HB2  ASP  67           HB2      ASP  67  -1.559   4.057  -5.617
  534    HB3  ASP  67           HB1      ASP  67  -1.269   2.331  -5.384
  535    H    LEU  68           HN       LEU  68  -2.709   5.144  -3.430
  536    HA   LEU  68           HA       LEU  68  -1.444   4.041  -1.145
  537    HB2  LEU  68           HB2      LEU  68  -2.612   6.778  -1.691
  538    HB3  LEU  68           HB1      LEU  68  -2.117   6.370  -0.065
  539    HG   LEU  68           HG       LEU  68  -0.321   7.582  -1.021
  540   HD11  LEU  68          HD11      LEU  68   0.461   4.662  -1.112
  541   HD12  LEU  68          HD12      LEU  68   0.370   5.677   0.329
  542   HD13  LEU  68          HD13      LEU  68   1.555   6.039  -0.925
  543   HD21  LEU  68          HD21      LEU  68  -0.913   7.401  -3.388
  544   HD22  LEU  68          HD22      LEU  68  -0.372   5.720  -3.419
  545   HD23  LEU  68          HD23      LEU  68   0.791   7.021  -3.138
  546    H    ALA  69           HN       ALA  69  -4.848   4.735  -1.836
  547    HA   ALA  69           HA       ALA  69  -5.888   4.497   0.767
  548    HB1  ALA  69           HB1      ALA  69  -8.042   3.995  -0.309
  549    HB2  ALA  69           HB2      ALA  69  -7.218   3.694  -1.842
  550    HB3  ALA  69           HB3      ALA  69  -7.217   5.313  -1.145
  551    H    ASP  70           HN       ASP  70  -5.512   2.044  -1.788
  552    HA   ASP  70           HA       ASP  70  -6.220  -0.239  -0.276
  553    HB2  ASP  70           HB2      ASP  70  -4.519   0.063  -2.785
  554    HB3  ASP  70           HB1      ASP  70  -4.925  -1.509  -2.093
  555    H    LEU  71           HN       LEU  71  -3.008   1.145  -1.012
  556    HA   LEU  71           HA       LEU  71  -1.463  -0.929   0.103
  557    HB2  LEU  71           HB2      LEU  71  -0.906   1.706  -1.096
  558    HB3  LEU  71           HB1      LEU  71   0.179   1.387   0.232
  559    HG   LEU  71           HG       LEU  71   1.203   0.720  -1.886
  560   HD11  LEU  71          HD11      LEU  71   0.542  -1.700  -0.194
  561   HD12  LEU  71          HD12      LEU  71   1.843  -0.544   0.093
  562   HD13  LEU  71          HD13      LEU  71   1.878  -1.565  -1.342
  563   HD21  LEU  71          HD21      LEU  71  -0.820   0.249  -3.174
  564   HD22  LEU  71          HD22      LEU  71  -1.108  -1.213  -2.226
  565   HD23  LEU  71          HD23      LEU  71   0.317  -1.096  -3.264
  566    H    VAL  72           HN       VAL  72  -2.186   2.320   1.484
  567    HA   VAL  72           HA       VAL  72  -1.053   1.934   4.000
  568    HB   VAL  72           HB       VAL  72  -3.468   3.689   3.320
  569   HG11  VAL  72          HG11      VAL  72  -1.637   3.811   5.752
  570   HG12  VAL  72          HG12      VAL  72  -3.328   3.314   5.754
  571   HG13  VAL  72          HG13      VAL  72  -2.905   4.980   5.365
  572   HG21  VAL  72          HG21      VAL  72  -1.848   5.554   3.168
  573   HG22  VAL  72          HG22      VAL  72  -1.460   4.299   1.988
  574   HG23  VAL  72          HG23      VAL  72  -0.516   4.439   3.476
  575    H    ASP  73           HN       ASP  73  -4.362   1.097   2.846
  576    HA   ASP  73           HA       ASP  73  -5.425   0.160   5.296
  577    HB2  ASP  73           HB2      ASP  73  -6.103  -0.520   2.422
  578    HB3  ASP  73           HB1      ASP  73  -6.891  -1.385   3.738
  579    H    LYS  74           HN       LYS  74  -3.427  -1.449   2.893
  580    HA   LYS  74           HA       LYS  74  -3.658  -4.096   3.988
  581    HB2  LYS  74           HB2      LYS  74  -1.497  -2.955   2.165
  582    HB3  LYS  74           HB1      LYS  74  -1.691  -4.663   2.552
  583    HG2  LYS  74           HG2      LYS  74  -3.597  -2.914   0.970
  584    HG3  LYS  74           HG1      LYS  74  -2.620  -4.256   0.368
  585    HD2  LYS  74           HD2      LYS  74  -3.942  -5.846   1.695
  586    HD3  LYS  74           HD1      LYS  74  -4.876  -4.523   2.399
  587    HE2  LYS  74           HE2      LYS  74  -5.738  -3.959   0.140
  588    HE3  LYS  74           HE1      LYS  74  -4.844  -5.327  -0.528
  589    HZ1  LYS  74           HZ1      LYS  74  -6.137  -6.799   0.895
  590    HZ2  LYS  74           HZ2      LYS  74  -7.130  -5.904  -0.136
  591    HZ3  LYS  74           HZ3      LYS  74  -7.011  -5.479   1.494
  592    H    LYS  75           HN       LYS  75  -1.385  -1.424   4.425
  593    HA   LYS  75           HA       LYS  75   0.478  -2.811   6.076
  594    HB2  LYS  75           HB2      LYS  75  -0.040   0.186   5.858
  595    HB3  LYS  75           HB1      LYS  75   1.398  -0.578   6.529
  596    HG2  LYS  75           HG2      LYS  75   0.514  -0.650   3.633
  597    HG3  LYS  75           HG1      LYS  75   1.831   0.315   4.301
  598    HD2  LYS  75           HD2      LYS  75   3.092  -1.714   4.838
  599    HD3  LYS  75           HD1      LYS  75   1.747  -2.730   4.306
  600    HE2  LYS  75           HE2      LYS  75   2.020  -1.935   2.004
  601    HE3  LYS  75           HE1      LYS  75   3.295  -0.827   2.519
  602    HZ1  LYS  75           HZ1      LYS  75   4.099  -2.899   1.514
  603    HZ2  LYS  75           HZ2      LYS  75   3.450  -3.765   2.810
  604    HZ3  LYS  75           HZ3      LYS  75   4.681  -2.639   3.080
  605    H    LEU  76           HN       LEU  76  -2.395  -0.828   6.675
  606    HA   LEU  76           HA       LEU  76  -2.116  -0.770   9.537
  607    HB2  LEU  76           HB2      LEU  76  -4.497  -0.036   7.797
  608    HB3  LEU  76           HB1      LEU  76  -4.411   0.226   9.532
  609    HG   LEU  76           HG       LEU  76  -2.779   1.622   7.378
  610   HD11  LEU  76          HD11      LEU  76  -3.822   3.667   8.205
  611   HD12  LEU  76          HD12      LEU  76  -4.731   2.743   9.408
  612   HD13  LEU  76          HD13      LEU  76  -5.039   2.502   7.685
  613   HD21  LEU  76          HD21      LEU  76  -1.261   1.150   9.220
  614   HD22  LEU  76          HD22      LEU  76  -2.397   1.848  10.376
  615   HD23  LEU  76          HD23      LEU  76  -1.631   2.871   9.159
  616    H    ALA  77           HN       ALA  77  -3.708  -2.846   7.201
  617    HA   ALA  77           HA       ALA  77  -5.223  -4.438   9.003
  618    HB1  ALA  77           HB1      ALA  77  -5.214  -6.147   7.216
  619    HB2  ALA  77           HB2      ALA  77  -3.957  -5.248   6.357
  620    HB3  ALA  77           HB3      ALA  77  -5.560  -4.542   6.564
  621    H    ARG  78           HN       ARG  78  -1.847  -4.561   7.909
  622    HA   ARG  78           HA       ARG  78  -1.043  -6.849   9.435
  623    HB2  ARG  78           HB2      ARG  78   0.668  -4.531   8.427
  624    HB3  ARG  78           HB1      ARG  78   1.279  -6.080   9.008
  625    HG2  ARG  78           HG2      ARG  78  -0.445  -5.680   6.535
  626    HG3  ARG  78           HG1      ARG  78   1.304  -5.910   6.536
  627    HD2  ARG  78           HD2      ARG  78  -0.720  -7.940   7.556
  628    HD3  ARG  78           HD1      ARG  78   0.035  -7.981   5.961
  629    HE   ARG  78           HE       ARG  78   1.507  -8.267   8.522
  630   HH11  ARG  78          HH11      ARG  78   1.162  -9.127   5.123
  631   HH12  ARG  78          HH12      ARG  78   2.475 -10.258   5.166
  632   HH21  ARG  78          HH21      ARG  78   3.217  -9.769   8.536
  633   HH22  ARG  78          HH22      ARG  78   3.621 -10.620   7.083
  634    H    LYS  79           HN       LYS  79  -1.458  -3.441  10.181
  635    HA   LYS  79           HA       LYS  79   0.024  -3.342  12.616
  636    HB2  LYS  79           HB2      LYS  79  -2.116  -1.531  11.464
  637    HB3  LYS  79           HB1      LYS  79  -1.382  -1.212  13.031
  638    HG2  LYS  79           HG2      LYS  79   0.113  -1.378  10.390
  639    HG3  LYS  79           HG1      LYS  79  -0.364   0.120  11.198
  640    HD2  LYS  79           HD2      LYS  79   1.548  -1.979  12.326
  641    HD3  LYS  79           HD1      LYS  79   2.031  -0.448  11.581
  642    HE2  LYS  79           HE2      LYS  79   0.960   0.812  13.370
  643    HE3  LYS  79           HE1      LYS  79   0.285  -0.663  14.068
  644    HZ1  LYS  79           HZ1      LYS  79   3.181  -0.133  13.796
  645    HZ2  LYS  79           HZ2      LYS  79   2.450  -1.410  14.627
  646    HZ3  LYS  79           HZ3      LYS  79   2.283   0.175  15.191
  647    H    LEU  80           HN       LEU  80  -2.926  -4.929  11.995
  648    HA   LEU  80           HA       LEU  80  -3.966  -4.892  14.686
  649    HB2  LEU  80           HB2      LEU  80  -4.397  -6.722  12.298
  650    HB3  LEU  80           HB1      LEU  80  -5.015  -7.184  13.869
  651    HG   LEU  80           HG       LEU  80  -6.779  -6.174  12.507
  652   HD11  LEU  80          HD11      LEU  80  -7.639  -4.526  14.073
  653   HD12  LEU  80          HD12      LEU  80  -6.047  -4.363  14.816
  654   HD13  LEU  80          HD13      LEU  80  -6.918  -5.893  14.924
  655   HD21  LEU  80          HD21      LEU  80  -5.422  -4.724  11.083
  656   HD22  LEU  80          HD22      LEU  80  -5.111  -3.645  12.447
  657   HD23  LEU  80          HD23      LEU  80  -6.752  -3.836  11.819
  658    H    GLU  81           HN       GLU  81  -1.655  -5.003  15.471
  659    HA   GLU  81           HA       GLU  81  -0.805  -7.569  16.382
  660    HB2  GLU  81           HB2      GLU  81   0.099  -7.154  13.876
  661    HB3  GLU  81           HB1      GLU  81   1.255  -6.098  14.676
  662    HG2  GLU  81           HG2      GLU  81   0.877  -9.064  15.186
  663    HG3  GLU  81           HG1      GLU  81   2.168  -8.347  14.227
  664    H    HIS  82           HN       HIS  82   0.582  -7.274  18.171
  665    HA   HIS  82           HA       HIS  82   0.176  -4.932  19.660
  666    HB2  HIS  82           HB2      HIS  82   2.111  -7.227  20.115
  667    HB3  HIS  82           HB1      HIS  82   1.822  -5.954  21.295
  668    HD1  HIS  82           HD1      HIS  82   0.648  -9.232  20.360
  669    HD2  HIS  82           HD2      HIS  82  -1.066  -5.864  22.075
  670    HE1  HIS  82           HE1      HIS  82  -1.466 -10.039  21.454
  671    HE2  HIS  82           HE2      HIS  82  -2.561  -7.949  22.328
  672    H    HIS  83           HN       HIS  83   3.404  -6.182  18.510
  673    HA   HIS  83           HA       HIS  83   4.269  -3.687  17.496
  674    HB2  HIS  83           HB2      HIS  83   5.992  -3.049  19.216
  675    HB3  HIS  83           HB1      HIS  83   4.344  -2.854  19.776
  676    HD1  HIS  83           HD1      HIS  83   3.477  -4.813  21.439
  677    HD2  HIS  83           HD2      HIS  83   7.589  -4.528  20.909
  678    HE1  HIS  83           HE1      HIS  83   4.489  -6.149  23.306
  679    HE2  HIS  83           HE2      HIS  83   6.960  -6.078  22.884
  680    H    HIS  84           HN       HIS  84   5.584  -6.593  19.174
  681    HA   HIS  84           HA       HIS  84   7.572  -7.621  19.112
  682    HB2  HIS  84           HB2      HIS  84   7.135  -7.277  16.131
  683    HB3  HIS  84           HB1      HIS  84   8.508  -8.169  16.775
  684    HD1  HIS  84           HD1      HIS  84   5.086  -8.656  15.742
  685    HD2  HIS  84           HD2      HIS  84   7.617 -10.408  18.531
  686    HE1  HIS  84           HE1      HIS  84   4.066 -10.894  16.265
  687    HE2  HIS  84           HE2      HIS  84   5.653 -11.964  17.888
  688    H    HIS  85           HN       HIS  85   8.247  -5.306  16.425
  689    HA   HIS  85           HA       HIS  85  10.815  -4.619  17.566
  690    HB2  HIS  85           HB2      HIS  85  10.496  -4.816  15.111
  691    HB3  HIS  85           HB1      HIS  85   9.375  -3.463  15.136
  692    HD1  HIS  85           HD1      HIS  85  13.044  -4.211  15.769
  693    HD2  HIS  85           HD2      HIS  85  10.577  -1.001  14.837
  694    HE1  HIS  85           HE1      HIS  85  14.593  -2.286  15.299
  695    HE2  HIS  85           HE2      HIS  85  13.077  -0.401  14.602
  696    H    HIS  86           HN       HIS  86   9.874  -3.817  19.614
  697    HA   HIS  86           HA       HIS  86  10.143  -0.935  19.574
  698    HB2  HIS  86           HB2      HIS  86   7.557  -2.197  20.524
  699    HB3  HIS  86           HB1      HIS  86   8.188  -0.839  21.443
  700    HD1  HIS  86           HD1      HIS  86   5.497  -0.894  19.670
  701    HD2  HIS  86           HD2      HIS  86   9.096   0.927  18.695
  702    HE1  HIS  86           HE1      HIS  86   4.914   0.885  17.998
  703    HE2  HIS  86           HE2      HIS  86   7.077   2.111  17.611
  704    H    HIS  87           HN       HIS  87  12.090  -2.250  20.176
  705    HA   HIS  87           HA       HIS  87  12.658  -1.715  22.907
  706    HB2  HIS  87           HB2      HIS  87  13.544  -4.052  23.470
  707    HB3  HIS  87           HB1      HIS  87  11.798  -3.893  23.441
  708    HD1  HIS  87           HD1      HIS  87  14.635  -5.423  21.488
  709    HD2  HIS  87           HD2      HIS  87  10.490  -5.521  21.627
  710    HE1  HIS  87           HE1      HIS  87  13.964  -7.388  20.072
  711    HE2  HIS  87           HE2      HIS  87  11.450  -7.308  20.028
  712   H282  PNS  88          H282      PNS  88   7.359  13.168 -10.912
  713   H281  PNS  88          H281      PNS  88   7.896  12.198 -12.290
  714   H303  PNS  88          H303      PNS  88   6.090  11.596  -8.934
  715   H302  PNS  88          H302      PNS  88   5.215  12.728  -9.972
  716   H301  PNS  88          H301      PNS  88   4.614  11.079  -9.772
  717   H313  PNS  88          H313      PNS  88   7.343   9.384 -11.615
  718   H312  PNS  88          H312      PNS  88   7.411   9.756  -9.889
  719   H311  PNS  88          H311      PNS  88   5.898   9.172 -10.601
  720    H32  PNS  88           H32      PNS  88   5.258  12.372 -12.611
  721    H33  PNS  88           H33      PNS  88   5.725  10.698 -14.273
  722    H36  PNS  88           H36      PNS  88   5.172   8.799 -12.274
  723   H372  PNS  88          H372      PNS  88   2.283   8.739 -12.812
  724   H371  PNS  88          H371      PNS  88   3.401   7.373 -12.864
  725   H382  PNS  88          H382      PNS  88   2.002   7.069 -10.952
  726   H381  PNS  88          H381      PNS  88   3.599   7.518 -10.365
  727    H41  PNS  88           H41      PNS  88   2.172   7.856  -8.404
  728   H422  PNS  88          H422      PNS  88   2.103  10.202  -7.280
  729   H421  PNS  88          H421      PNS  88   0.714  10.429  -8.346
  730   H431  PNS  88          H431      PNS  88  -0.304   8.368  -7.287
  731   H432  PNS  88          H432      PNS  88  -0.149   9.757  -6.215
  732    H44  PNS  88           H44      PNS  88   2.034   8.811  -4.843
  Start of MODEL   15
    1    H1   MET   1           HT1      MET   1 -10.092   1.090   5.457
    2    H2   MET   1           HT2      MET   1  -9.825   1.491   3.841
    3    H3   MET   1           HT3      MET   1 -10.674   0.084   4.230
    4    HA   MET   1           HA       MET   1 -12.133   1.781   3.455
    5    HB2  MET   1           HB2      MET   1 -12.432   1.068   6.395
    6    HB3  MET   1           HB1      MET   1 -13.691   1.895   5.489
    7    HG2  MET   1           HG2      MET   1 -13.871  -0.001   3.957
    8    HG3  MET   1           HG1      MET   1 -12.570  -0.835   4.810
    9    HE1  MET   1           HE1      MET   1 -14.232  -1.650   8.279
   10    HE2  MET   1           HE2      MET   1 -13.138  -0.333   7.862
   11    HE3  MET   1           HE3      MET   1 -12.839  -1.962   7.247
   12    HA   PRO   2           HA       PRO   2 -11.669   5.791   5.990
   13    HB2  PRO   2           HB2      PRO   2 -10.552   5.989   8.393
   14    HB3  PRO   2           HB1      PRO   2 -12.029   5.033   8.204
   15    HG2  PRO   2           HG2      PRO   2  -9.180   4.089   8.446
   16    HG3  PRO   2           HG1      PRO   2 -10.647   3.423   9.196
   17    HD2  PRO   2           HD2      PRO   2  -9.445   2.488   6.801
   18    HD3  PRO   2           HD1      PRO   2 -11.084   2.096   7.363
   19    H    THR   3           HN       THR   3  -9.453   4.615   4.368
   20    HA   THR   3           HA       THR   3  -6.942   5.438   5.445
   21    HB   THR   3           HB       THR   3  -7.521   4.425   2.632
   22    HG1  THR   3           HG1      THR   3  -6.636   2.442   3.987
   23   HG21  THR   3          HG21      THR   3  -5.186   3.620   2.732
   24   HG22  THR   3          HG22      THR   3  -4.992   4.356   4.323
   25   HG23  THR   3          HG23      THR   3  -5.263   5.374   2.907
   26    H    LEU   4           HN       LEU   4  -8.860   6.540   2.546
   27    HA   LEU   4           HA       LEU   4  -7.076   8.537   1.664
   28    HB2  LEU   4           HB2      LEU   4 -10.113   8.440   1.404
   29    HB3  LEU   4           HB1      LEU   4  -9.086   9.571   0.539
   30    HG   LEU   4           HG       LEU   4  -9.101   6.547   0.182
   31   HD11  LEU   4          HD11      LEU   4 -11.061   7.642  -0.827
   32   HD12  LEU   4          HD12      LEU   4  -9.974   7.018  -2.062
   33   HD13  LEU   4          HD13      LEU   4 -10.005   8.749  -1.712
   34   HD21  LEU   4          HD21      LEU   4  -7.426   8.642  -1.237
   35   HD22  LEU   4          HD22      LEU   4  -7.510   6.927  -1.653
   36   HD23  LEU   4          HD23      LEU   4  -6.838   7.421  -0.103
   37    H    ASP   5           HN       ASP   5  -9.792   8.655   3.925
   38    HA   ASP   5           HA       ASP   5  -9.887  11.349   4.627
   39    HB2  ASP   5           HB2      ASP   5 -11.603   9.801   5.372
   40    HB3  ASP   5           HB1      ASP   5 -10.433   8.832   6.258
   41    H    ALA   6           HN       ALA   6  -7.993   8.724   6.083
   42    HA   ALA   6           HA       ALA   6  -6.706  10.255   8.097
   43    HB1  ALA   6           HB1      ALA   6  -5.855   7.618   6.860
   44    HB2  ALA   6           HB2      ALA   6  -6.960   7.807   8.220
   45    HB3  ALA   6           HB3      ALA   6  -5.270   8.282   8.392
   46    H    LEU   7           HN       LEU   7  -5.809   9.419   4.771
   47    HA   LEU   7           HA       LEU   7  -3.065  10.246   4.988
   48    HB2  LEU   7           HB2      LEU   7  -4.704   9.626   2.498
   49    HB3  LEU   7           HB1      LEU   7  -2.966   9.889   2.522
   50    HG   LEU   7           HG       LEU   7  -4.475   7.541   3.730
   51   HD11  LEU   7          HD11      LEU   7  -2.461   7.638   1.466
   52   HD12  LEU   7          HD12      LEU   7  -4.207   7.425   1.306
   53   HD13  LEU   7          HD13      LEU   7  -3.244   6.189   2.110
   54   HD21  LEU   7          HD21      LEU   7  -2.654   8.106   5.251
   55   HD22  LEU   7          HD22      LEU   7  -1.503   8.110   3.914
   56   HD23  LEU   7          HD23      LEU   7  -2.294   6.609   4.395
   57    H    THR   8           HN       THR   8  -6.078  11.854   4.175
   58    HA   THR   8           HA       THR   8  -5.152  13.831   2.425
   59    HB   THR   8           HB       THR   8  -7.510  13.988   4.350
   60    HG1  THR   8           HG1      THR   8  -7.165  12.482   2.306
   61   HG21  THR   8          HG21      THR   8  -8.402  15.780   2.890
   62   HG22  THR   8          HG22      THR   8  -6.908  15.776   1.951
   63   HG23  THR   8          HG23      THR   8  -6.887  16.282   3.642
   64    HA   PRO   9           HA       PRO   9  -4.159  16.788   6.295
   65    HB2  PRO   9           HB2      PRO   9  -3.730  14.667   8.411
   66    HB3  PRO   9           HB1      PRO   9  -4.350  16.319   8.588
   67    HG2  PRO   9           HG2      PRO   9  -6.042  14.290   8.674
   68    HG3  PRO   9           HG1      PRO   9  -6.475  15.741   7.739
   69    HD2  PRO   9           HD2      PRO   9  -5.387  13.095   6.732
   70    HD3  PRO   9           HD1      PRO   9  -6.743  14.057   6.103
   71    H    ILE  10           HN       ILE  10  -2.699  13.561   5.812
   72    HA   ILE  10           HA       ILE  10  -0.034  14.318   6.612
   73    HB   ILE  10           HB       ILE  10  -0.614  12.031   4.676
   74   HG12  ILE  10          HG12      ILE  10  -2.162  11.728   6.573
   75   HG13  ILE  10          HG11      ILE  10  -0.895  10.510   6.613
   76   HG21  ILE  10          HG21      ILE  10   1.408  11.017   5.735
   77   HG22  ILE  10          HG22      ILE  10   1.600  12.464   6.724
   78   HG23  ILE  10          HG23      ILE  10   1.753  12.570   4.970
   79   HD11  ILE  10          HD11      ILE  10  -1.385  11.300   8.823
   80   HD12  ILE  10          HD12      ILE  10  -1.067  12.967   8.349
   81   HD13  ILE  10          HD13      ILE  10   0.247  11.786   8.372
   82    H    PHE  11           HN       PHE  11  -1.719  14.060   3.491
   83    HA   PHE  11           HA       PHE  11   0.409  14.933   1.814
   84    HB2  PHE  11           HB2      PHE  11  -2.615  14.855   1.467
   85    HB3  PHE  11           HB1      PHE  11  -1.577  15.548   0.231
   86    HD1  PHE  11           HD1      PHE  11  -1.551  12.365   2.288
   87    HD2  PHE  11           HD2      PHE  11  -1.278  14.143  -1.594
   88    HE1  PHE  11           HE1      PHE  11  -1.311  10.138   1.275
   89    HE2  PHE  11           HE2      PHE  11  -1.032  11.916  -2.589
   90    HZ   PHE  11           HZ       PHE  11  -1.050   9.908  -1.166
   91    H    ARG  12           HN       ARG  12  -2.334  16.615   3.367
   92    HA   ARG  12           HA       ARG  12  -1.751  19.230   2.465
   93    HB2  ARG  12           HB2      ARG  12  -3.334  18.243   4.864
   94    HB3  ARG  12           HB1      ARG  12  -3.205  19.949   4.443
   95    HG2  ARG  12           HG2      ARG  12  -4.265  19.459   2.242
   96    HG3  ARG  12           HG1      ARG  12  -4.451  17.770   2.726
   97    HD2  ARG  12           HD2      ARG  12  -5.940  18.398   4.543
   98    HD3  ARG  12           HD1      ARG  12  -5.658  20.116   4.242
   99    HE   ARG  12           HE       ARG  12  -6.649  19.163   1.873
  100   HH11  ARG  12          HH11      ARG  12  -7.847  19.114   5.174
  101   HH12  ARG  12          HH12      ARG  12  -9.512  19.201   4.696
  102   HH21  ARG  12          HH21      ARG  12  -8.823  19.288   1.263
  103   HH22  ARG  12          HH22      ARG  12 -10.065  19.311   2.473
  104    H    GLN  13           HN       GLN  13  -0.337  17.357   5.095
  105    HA   GLN  13           HA       GLN  13   1.059  19.489   6.366
  106    HB2  GLN  13           HB2      GLN  13   0.770  17.319   7.482
  107    HB3  GLN  13           HB1      GLN  13   1.627  16.494   6.188
  108    HG2  GLN  13           HG2      GLN  13   3.677  17.916   6.861
  109    HG3  GLN  13           HG1      GLN  13   2.768  18.327   8.315
  110   HE21  GLN  13          HE21      GLN  13   4.426  15.780   6.578
  111   HE22  GLN  13          HE22      GLN  13   4.512  14.666   7.897
  112    H    VAL  14           HN       VAL  14   2.122  16.987   4.044
  113    HA   VAL  14           HA       VAL  14   4.778  17.780   3.726
  114    HB   VAL  14           HB       VAL  14   2.959  16.184   1.862
  115   HG11  VAL  14          HG11      VAL  14   5.997  16.423   1.708
  116   HG12  VAL  14          HG12      VAL  14   4.841  17.019   0.512
  117   HG13  VAL  14          HG13      VAL  14   5.008  15.285   0.785
  118   HG21  VAL  14          HG21      VAL  14   3.283  15.198   4.095
  119   HG22  VAL  14          HG22      VAL  14   5.034  15.271   3.887
  120   HG23  VAL  14          HG23      VAL  14   4.067  14.219   2.854
  121    H    PHE  15           HN       PHE  15   2.028  18.408   1.562
  122    HA   PHE  15           HA       PHE  15   3.607  20.083  -0.209
  123    HB2  PHE  15           HB2      PHE  15   0.624  19.446  -0.331
  124    HB3  PHE  15           HB1      PHE  15   1.601  20.135  -1.622
  125    HD1  PHE  15           HD2      PHE  15   3.555  18.675  -2.551
  126    HD2  PHE  15           HD1      PHE  15   0.372  17.094  -0.189
  127    HE1  PHE  15           HE2      PHE  15   4.043  16.410  -3.361
  128    HE2  PHE  15           HE1      PHE  15   0.885  14.838  -0.999
  129    HZ   PHE  15           HZ       PHE  15   2.725  14.494  -2.588
  130    H    ASP  16           HN       ASP  16   1.427  20.477   2.467
  131    HA   ASP  16           HA       ASP  16   0.513  22.192   3.594
  132    HB2  ASP  16           HB2      ASP  16   2.913  22.959   3.651
  133    HB3  ASP  16           HB1      ASP  16   2.589  23.973   2.258
  134    H    ASP  17           HN       ASP  17  -1.455  22.056   2.550
  135    HA   ASP  17           HA       ASP  17  -2.323  24.225   0.873
  136    HB2  ASP  17           HB2      ASP  17  -1.147  22.844  -0.818
  137    HB3  ASP  17           HB1      ASP  17  -2.073  21.428  -0.343
  138    H    ASP  18           HN       ASP  18  -4.690  23.761   0.147
  139    HA   ASP  18           HA       ASP  18  -6.131  22.432   2.382
  140    HB2  ASP  18           HB2      ASP  18  -7.828  24.244   2.303
  141    HB3  ASP  18           HB1      ASP  18  -6.236  24.864   2.715
  142    H    SER  19           HN       SER  19  -5.787  22.946  -1.005
  143    HA   SER  19           HA       SER  19  -8.459  22.134  -1.801
  144    HB2  SER  19           HB2      SER  19  -5.976  22.610  -3.509
  145    HB3  SER  19           HB1      SER  19  -7.646  22.524  -4.082
  146    HG   SER  19           HG       SER  19  -7.556  24.331  -2.147
  147    H    ILE  20           HN       ILE  20  -5.625  20.473  -0.879
  148    HA   ILE  20           HA       ILE  20  -5.820  18.138  -2.503
  149    HB   ILE  20           HB       ILE  20  -4.645  18.443   0.302
  150   HG12  ILE  20          HG12      ILE  20  -3.214  18.444  -2.401
  151   HG13  ILE  20          HG11      ILE  20  -3.528  19.872  -1.427
  152   HG21  ILE  20          HG21      ILE  20  -4.311  16.163  -1.691
  153   HG22  ILE  20          HG22      ILE  20  -5.132  16.085  -0.131
  154   HG23  ILE  20          HG23      ILE  20  -3.392  16.341  -0.194
  155   HD11  ILE  20          HD11      ILE  20  -2.077  19.011   0.332
  156   HD12  ILE  20          HD12      ILE  20  -1.235  19.122  -1.213
  157   HD13  ILE  20          HD13      ILE  20  -1.778  17.555  -0.621
  158    H    VAL  21           HN       VAL  21  -7.849  17.345  -2.606
  159    HA   VAL  21           HA       VAL  21  -9.011  16.158  -0.148
  160    HB   VAL  21           HB       VAL  21 -10.580  17.180  -2.573
  161   HG11  VAL  21          HG11      VAL  21 -12.599  16.688  -1.210
  162   HG12  VAL  21          HG12      VAL  21 -11.576  16.006   0.056
  163   HG13  VAL  21          HG13      VAL  21 -11.659  15.228  -1.527
  164   HG21  VAL  21          HG21      VAL  21 -11.464  18.944  -1.095
  165   HG22  VAL  21          HG22      VAL  21  -9.708  19.064  -1.231
  166   HG23  VAL  21          HG23      VAL  21 -10.437  18.378   0.225
  167    H    LEU  22           HN       LEU  22  -8.263  14.120  -0.344
  168    HA   LEU  22           HA       LEU  22  -7.311  13.066  -2.800
  169    HB2  LEU  22           HB2      LEU  22  -7.697  11.716  -0.100
  170    HB3  LEU  22           HB1      LEU  22  -6.838  10.999  -1.461
  171    HG   LEU  22           HG       LEU  22  -6.009  13.523   0.031
  172   HD11  LEU  22          HD11      LEU  22  -4.111  12.205   0.813
  173   HD12  LEU  22          HD12      LEU  22  -4.732  10.775  -0.014
  174   HD13  LEU  22          HD13      LEU  22  -5.635  11.485   1.327
  175   HD21  LEU  22          HD21      LEU  22  -5.402  13.717  -2.334
  176   HD22  LEU  22          HD22      LEU  22  -4.626  12.132  -2.294
  177   HD23  LEU  22          HD23      LEU  22  -3.963  13.468  -1.350
  178    H    THR  23           HN       THR  23  -8.107  11.618  -4.165
  179    HA   THR  23           HA       THR  23 -10.593  10.152  -3.592
  180    HB   THR  23           HB       THR  23 -11.388  10.555  -5.935
  181    HG1  THR  23           HG1      THR  23  -9.238  12.416  -6.000
  182   HG21  THR  23          HG21      THR  23 -12.340  11.966  -4.147
  183   HG22  THR  23          HG22      THR  23 -12.213  12.867  -5.660
  184   HG23  THR  23          HG23      THR  23 -11.035  13.134  -4.372
  185    H    ARG  24           HN       ARG  24 -10.828   8.459  -5.467
  186    HA   ARG  24           HA       ARG  24  -8.676   6.705  -5.150
  187    HB2  ARG  24           HB2      ARG  24 -11.097   6.603  -6.974
  188    HB3  ARG  24           HB1      ARG  24  -9.950   5.271  -6.843
  189    HG2  ARG  24           HG2      ARG  24 -10.434   5.155  -4.385
  190    HG3  ARG  24           HG1      ARG  24 -11.675   6.394  -4.605
  191    HD2  ARG  24           HD2      ARG  24 -12.637   4.118  -4.546
  192    HD3  ARG  24           HD1      ARG  24 -12.919   4.902  -6.104
  193    HE   ARG  24           HE       ARG  24 -10.574   3.182  -5.901
  194   HH11  ARG  24          HH11      ARG  24 -13.889   3.469  -7.019
  195   HH12  ARG  24          HH12      ARG  24 -13.781   2.084  -8.057
  196   HH21  ARG  24          HH21      ARG  24 -10.426   1.412  -7.293
  197   HH22  ARG  24          HH22      ARG  24 -11.811   0.916  -8.206
  198    H    GLU  25           HN       GLU  25  -9.514   8.728  -7.979
  199    HA   GLU  25           HA       GLU  25  -7.394   7.473  -9.575
  200    HB2  GLU  25           HB2      GLU  25  -9.450   9.583 -10.330
  201    HB3  GLU  25           HB1      GLU  25  -8.313   8.826 -11.446
  202    HG2  GLU  25           HG2      GLU  25  -9.354   6.628 -11.035
  203    HG3  GLU  25           HG1      GLU  25 -10.472   7.364  -9.889
  204    H    THR  26           HN       THR  26  -7.374   9.929  -7.341
  205    HA   THR  26           HA       THR  26  -5.970  12.054  -8.482
  206    HB   THR  26           HB       THR  26  -5.756  10.968  -5.638
  207    HG1  THR  26           HG1      THR  26  -7.418  12.921  -6.859
  208   HG21  THR  26          HG21      THR  26  -4.967  13.709  -6.709
  209   HG22  THR  26          HG22      THR  26  -3.859  12.475  -6.093
  210   HG23  THR  26          HG23      THR  26  -5.015  13.247  -5.009
  211    H    SER  27           HN       SER  27  -4.296  11.558  -9.850
  212    HA   SER  27           HA       SER  27  -2.062   9.854  -8.975
  213    HB2  SER  27           HB2      SER  27  -1.287  10.114 -11.330
  214    HB3  SER  27           HB1      SER  27  -2.944   9.512 -11.252
  215    HG   SER  27           HG       SER  27  -3.440  11.156 -12.449
  216    H    ALA  28           HN       ALA  28   0.171  10.673  -9.416
  217    HA   ALA  28           HA       ALA  28   0.916  13.182  -8.475
  218    HB1  ALA  28           HB1      ALA  28   2.367  11.433 -10.484
  219    HB2  ALA  28           HB2      ALA  28   2.430  11.266  -8.730
  220    HB3  ALA  28           HB3      ALA  28   3.095  12.709  -9.498
  221    H    ASN  29           HN       ASN  29  -0.308  12.311 -11.606
  222    HA   ASN  29           HA       ASN  29   0.497  14.712 -13.006
  223    HB2  ASN  29           HB2      ASN  29   0.105  12.533 -14.171
  224    HB3  ASN  29           HB1      ASN  29  -1.593  12.605 -13.741
  225   HD21  ASN  29          HD21      ASN  29  -2.953  14.060 -14.841
  226   HD22  ASN  29          HD22      ASN  29  -2.484  14.819 -16.319
  227    H    ASP  30           HN       ASP  30  -2.281  13.623 -11.107
  228    HA   ASP  30           HA       ASP  30  -4.138  15.678 -11.800
  229    HB2  ASP  30           HB2      ASP  30  -4.880  13.515 -10.895
  230    HB3  ASP  30           HB1      ASP  30  -4.001  13.796  -9.399
  231    H    ILE  31           HN       ILE  31  -1.488  15.444  -9.536
  232    HA   ILE  31           HA       ILE  31  -2.148  18.085  -8.334
  233    HB   ILE  31           HB       ILE  31  -0.599  15.812  -6.975
  234   HG12  ILE  31          HG12      ILE  31  -3.396  16.877  -6.380
  235   HG13  ILE  31          HG11      ILE  31  -3.016  15.286  -7.033
  236   HG21  ILE  31          HG21      ILE  31  -0.602  17.271  -4.962
  237   HG22  ILE  31          HG22      ILE  31  -1.391  18.545  -5.893
  238   HG23  ILE  31          HG23      ILE  31   0.245  18.032  -6.312
  239   HD11  ILE  31          HD11      ILE  31  -2.345  16.307  -4.271
  240   HD12  ILE  31          HD12      ILE  31  -1.881  14.726  -4.905
  241   HD13  ILE  31          HD13      ILE  31  -3.586  15.130  -4.696
  242    H    ASP  32           HN       ASP  32  -0.860  19.452  -9.430
  243    HA   ASP  32           HA       ASP  32   1.541  18.863 -10.789
  244    HB2  ASP  32           HB2      ASP  32   0.154  20.871 -11.300
  245    HB3  ASP  32           HB1      ASP  32   0.601  21.581  -9.752
  246    H    ALA  33           HN       ALA  33   0.920  20.014  -7.534
  247    HA   ALA  33           HA       ALA  33   3.556  20.662  -6.728
  248    HB1  ALA  33           HB1      ALA  33   2.626  20.640  -4.455
  249    HB2  ALA  33           HB2      ALA  33   1.183  19.807  -5.044
  250    HB3  ALA  33           HB3      ALA  33   1.531  21.453  -5.575
  251    H    TRP  34           HN       TRP  34   2.111  17.568  -7.242
  252    HA   TRP  34           HA       TRP  34   3.802  16.151  -5.324
  253    HB2  TRP  34           HB2      TRP  34   1.304  15.675  -5.771
  254    HB3  TRP  34           HB1      TRP  34   1.810  14.950  -7.288
  255    HD1  TRP  34           HD1      TRP  34   4.387  13.910  -4.891
  256    HE1  TRP  34           HE1      TRP  34   3.851  11.599  -3.908
  257    HE3  TRP  34           HE3      TRP  34  -0.495  13.521  -6.337
  258    HZ2  TRP  34           HZ2      TRP  34   1.664   9.849  -3.744
  259    HZ3  TRP  34           HZ3      TRP  34  -1.743  11.491  -5.733
  260    HH2  TRP  34           HH2      TRP  34  -0.684   9.690  -4.460
  261    H    ASP  35           HN       ASP  35   5.576  17.222  -6.804
  262    HA   ASP  35           HA       ASP  35   6.463  15.777  -9.128
  263    HB2  ASP  35           HB2      ASP  35   7.897  17.625  -7.171
  264    HB3  ASP  35           HB1      ASP  35   8.708  16.912  -8.561
  265    H    SER  36           HN       SER  36   8.462  14.415  -9.198
  266    HA   SER  36           HA       SER  36   8.570  12.147  -7.728
  267    HB2  SER  36           HB2      SER  36  11.124  13.489  -8.702
  268    HB3  SER  36           HB1      SER  36  10.768  11.760  -8.634
  269    H    LEU  37           HN       LEU  37  10.217  15.116  -6.997
  270    HA   LEU  37           HA       LEU  37  11.793  14.343  -4.775
  271    HB2  LEU  37           HB2      LEU  37  10.683  17.102  -5.456
  272    HB3  LEU  37           HB1      LEU  37  11.956  16.786  -4.299
  273    HG   LEU  37           HG       LEU  37  13.034  17.663  -6.211
  274   HD11  LEU  37          HD11      LEU  37  14.513  15.884  -6.985
  275   HD12  LEU  37          HD12      LEU  37  13.405  14.664  -6.353
  276   HD13  LEU  37          HD13      LEU  37  14.224  15.774  -5.249
  277   HD21  LEU  37          HD21      LEU  37  11.601  15.684  -8.011
  278   HD22  LEU  37          HD22      LEU  37  12.755  16.924  -8.503
  279   HD23  LEU  37          HD23      LEU  37  11.195  17.397  -7.836
  280    H    SER  38           HN       SER  38   8.590  15.778  -5.091
  281    HA   SER  38           HA       SER  38   8.011  16.111  -2.323
  282    HB2  SER  38           HB2      SER  38   6.098  15.978  -4.692
  283    HB3  SER  38           HB1      SER  38   5.784  16.718  -3.116
  284    HG   SER  38           HG       SER  38   7.509  18.184  -3.578
  285    H    HIS  39           HN       HIS  39   7.490  13.470  -4.633
  286    HA   HIS  39           HA       HIS  39   5.809  11.771  -3.152
  287    HB2  HIS  39           HB2      HIS  39   8.001  11.140  -5.165
  288    HB3  HIS  39           HB1      HIS  39   7.122   9.844  -4.365
  289    HD2  HIS  39           HD2      HIS  39   6.605  12.539  -7.081
  290    HE1  HIS  39           HE1      HIS  39   3.273   9.974  -7.027
  291    HE2  HIS  39           HE2      HIS  39   4.287  12.043  -8.067
  292    H    MET  40           HN       MET  40   9.354  12.086  -3.125
  293    HA   MET  40           HA       MET  40   9.943   9.968  -1.400
  294    HB2  MET  40           HB2      MET  40  11.467  12.577  -1.822
  295    HB3  MET  40           HB1      MET  40  12.114  11.165  -0.987
  296    HG2  MET  40           HG2      MET  40  11.321  11.343  -3.903
  297    HG3  MET  40           HG1      MET  40  12.950  11.188  -3.246
  298    HE1  MET  40           HE1      MET  40  12.451   8.961  -0.899
  299    HE2  MET  40           HE2      MET  40  13.830   8.902  -2.000
  300    HE3  MET  40           HE3      MET  40  12.810   7.479  -1.792
  301    H    ASN  41           HN       ASN  41   9.335  13.395  -0.653
  302    HA   ASN  41           HA       ASN  41   9.564  13.198   2.179
  303    HB2  ASN  41           HB2      ASN  41   8.162  15.268   0.432
  304    HB3  ASN  41           HB1      ASN  41   8.308  15.420   2.182
  305   HD21  ASN  41          HD21      ASN  41  10.029  15.468  -0.857
  306   HD22  ASN  41          HD22      ASN  41  11.480  16.177  -0.251
  307    H    LEU  42           HN       LEU  42   6.831  12.884  -0.049
  308    HA   LEU  42           HA       LEU  42   4.732  12.898   1.830
  309    HB2  LEU  42           HB2      LEU  42   4.527  13.281  -0.647
  310    HB3  LEU  42           HB1      LEU  42   4.808  11.578  -0.927
  311    HG   LEU  42           HG       LEU  42   2.383  12.484  -1.077
  312   HD11  LEU  42          HD11      LEU  42   2.849  10.100  -1.114
  313   HD12  LEU  42          HD12      LEU  42   1.374  10.430  -0.212
  314   HD13  LEU  42          HD13      LEU  42   2.867  10.045   0.648
  315   HD21  LEU  42          HD21      LEU  42   1.107  12.624   0.991
  316   HD22  LEU  42          HD22      LEU  42   2.401  13.816   0.980
  317   HD23  LEU  42          HD23      LEU  42   2.564  12.347   1.947
  318    H    ILE  43           HN       ILE  43   6.455  10.183   0.319
  319    HA   ILE  43           HA       ILE  43   4.971   8.109   1.542
  320    HB   ILE  43           HB       ILE  43   7.503   8.220  -0.091
  321   HG12  ILE  43          HG12      ILE  43   6.289   6.561  -1.519
  322   HG13  ILE  43          HG11      ILE  43   4.958   6.557  -0.373
  323   HG21  ILE  43          HG21      ILE  43   7.937   5.798   0.131
  324   HG22  ILE  43          HG22      ILE  43   6.735   5.698   1.418
  325   HG23  ILE  43          HG23      ILE  43   8.199   6.656   1.651
  326   HD11  ILE  43          HD11      ILE  43   4.506   8.901  -0.920
  327   HD12  ILE  43          HD12      ILE  43   4.450   7.857  -2.340
  328   HD13  ILE  43          HD13      ILE  43   5.853   8.885  -2.062
  329    H    VAL  44           HN       VAL  44   8.153   9.601   2.409
  330    HA   VAL  44           HA       VAL  44   8.583   7.857   4.622
  331    HB   VAL  44           HB       VAL  44  10.354   9.371   5.343
  332   HG11  VAL  44          HG11      VAL  44  11.817   9.227   3.357
  333   HG12  VAL  44          HG12      VAL  44  10.407   8.908   2.343
  334   HG13  VAL  44          HG13      VAL  44  10.881   7.745   3.585
  335   HG21  VAL  44          HG21      VAL  44   9.340  11.548   4.888
  336   HG22  VAL  44          HG22      VAL  44   9.437  11.255   3.153
  337   HG23  VAL  44          HG23      VAL  44  10.917  11.436   4.099
  338    H    SER  45           HN       SER  45   6.803  10.874   4.286
  339    HA   SER  45           HA       SER  45   6.311  11.332   7.059
  340    HB2  SER  45           HB2      SER  45   4.752  12.174   4.590
  341    HB3  SER  45           HB1      SER  45   4.310  12.669   6.225
  342    HG   SER  45           HG       SER  45   6.818  13.161   4.978
  343    H    LEU  46           HN       LEU  46   4.604   9.383   4.598
  344    HA   LEU  46           HA       LEU  46   2.460   8.507   6.235
  345    HB2  LEU  46           HB2      LEU  46   3.814   6.994   3.968
  346    HB3  LEU  46           HB1      LEU  46   2.234   6.624   4.641
  347    HG   LEU  46           HG       LEU  46   2.940   9.144   3.072
  348   HD11  LEU  46          HD11      LEU  46   1.545   8.208   1.279
  349   HD12  LEU  46          HD12      LEU  46   1.290   6.737   2.222
  350   HD13  LEU  46          HD13      LEU  46   2.905   7.145   1.639
  351   HD21  LEU  46          HD21      LEU  46   0.237   8.222   4.088
  352   HD22  LEU  46          HD22      LEU  46   0.557   9.658   3.111
  353   HD23  LEU  46          HD23      LEU  46   1.184   9.552   4.751
  354    H    GLU  47           HN       GLU  47   5.777   7.400   5.804
  355    HA   GLU  47           HA       GLU  47   5.582   4.945   7.212
  356    HB2  GLU  47           HB2      GLU  47   8.053   6.634   6.624
  357    HB3  GLU  47           HB1      GLU  47   8.080   4.973   7.223
  358    HG2  GLU  47           HG2      GLU  47   6.817   4.307   5.133
  359    HG3  GLU  47           HG1      GLU  47   7.078   5.941   4.536
  360    H    VAL  48           HN       VAL  48   6.795   8.169   8.260
  361    HA   VAL  48           HA       VAL  48   7.426   7.271  10.896
  362    HB   VAL  48           HB       VAL  48   7.723   9.666  11.479
  363   HG11  VAL  48          HG11      VAL  48   9.651  10.100   9.993
  364   HG12  VAL  48          HG12      VAL  48   9.084   8.850   8.882
  365   HG13  VAL  48          HG13      VAL  48   9.602   8.416  10.514
  366   HG21  VAL  48          HG21      VAL  48   6.848  10.258   8.626
  367   HG22  VAL  48          HG22      VAL  48   7.535  11.432   9.753
  368   HG23  VAL  48          HG23      VAL  48   5.974  10.694  10.095
  369    H    HIS  49           HN       HIS  49   4.571   8.953   9.543
  370    HA   HIS  49           HA       HIS  49   3.224   9.392  11.986
  371    HB2  HIS  49           HB2      HIS  49   2.305   9.258   9.104
  372    HB3  HIS  49           HB1      HIS  49   1.096   9.319  10.377
  373    HD1  HIS  49           HD1      HIS  49   0.549  11.573  11.326
  374    HD2  HIS  49           HD2      HIS  49   4.023  11.632   9.054
  375    HE1  HIS  49           HE1      HIS  49   1.148  13.995  11.085
  376    HE2  HIS  49           HE2      HIS  49   3.370  13.980   9.906
  377    H    TYR  50           HN       TYR  50   2.734   6.721   9.612
  378    HA   TYR  50           HA       TYR  50   0.873   5.390  11.455
  379    HB2  TYR  50           HB2      TYR  50   1.662   4.712   8.586
  380    HB3  TYR  50           HB1      TYR  50   0.403   3.897   9.508
  381    HD1  TYR  50           HD1      TYR  50  -1.755   5.047   9.985
  382    HD2  TYR  50           HD2      TYR  50   1.278   6.967   7.667
  383    HE1  TYR  50           HE1      TYR  50  -3.379   6.742   9.255
  384    HE2  TYR  50           HE2      TYR  50  -0.350   8.651   6.937
  385    HH   TYR  50           HH       TYR  50  -2.774   8.898   6.710
  386    H    LYS  51           HN       LYS  51   4.161   5.328  11.085
  387    HA   LYS  51           HA       LYS  51   5.887   3.926  11.381
  388    HB2  LYS  51           HB2      LYS  51   3.942   2.647  13.341
  389    HB3  LYS  51           HB1      LYS  51   5.633   2.183  13.223
  390    HG2  LYS  51           HG2      LYS  51   5.580   3.682  15.040
  391    HG3  LYS  51           HG1      LYS  51   6.194   4.651  13.700
  392    HD2  LYS  51           HD2      LYS  51   3.831   5.516  13.362
  393    HD3  LYS  51           HD1      LYS  51   3.378   4.672  14.848
  394    HE2  LYS  51           HE2      LYS  51   5.397   6.924  14.580
  395    HE3  LYS  51           HE1      LYS  51   3.804   7.021  15.330
  396    HZ1  LYS  51           HZ1      LYS  51   6.131   5.446  16.309
  397    HZ2  LYS  51           HZ2      LYS  51   4.587   5.405  16.996
  398    HZ3  LYS  51           HZ3      LYS  51   5.478   6.840  17.012
  399    H    ILE  52           HN       ILE  52   4.830   3.461   9.054
  400    HA   ILE  52           HA       ILE  52   4.613   0.520   8.695
  401    HB   ILE  52           HB       ILE  52   3.332   0.977   6.597
  402   HG12  ILE  52          HG12      ILE  52   3.361   3.886   7.548
  403   HG13  ILE  52          HG11      ILE  52   4.105   3.269   6.078
  404   HG21  ILE  52          HG21      ILE  52   1.194   1.566   7.694
  405   HG22  ILE  52          HG22      ILE  52   2.081   2.148   9.106
  406   HG23  ILE  52          HG23      ILE  52   2.145   0.442   8.666
  407   HD11  ILE  52          HD11      ILE  52   1.148   3.404   6.670
  408   HD12  ILE  52          HD12      ILE  52   1.860   2.734   5.199
  409   HD13  ILE  52          HD13      ILE  52   2.058   4.446   5.578
  410    H    LYS  53           HN       LYS  53   5.539  -0.290   6.682
  411    HA   LYS  53           HA       LYS  53   8.014   1.152   5.893
  412    HB2  LYS  53           HB2      LYS  53   8.177  -1.032   7.263
  413    HB3  LYS  53           HB1      LYS  53   7.520  -1.877   5.875
  414    HG2  LYS  53           HG2      LYS  53  10.130  -0.312   5.836
  415    HG3  LYS  53           HG1      LYS  53  10.024  -2.034   6.189
  416    HD2  LYS  53           HD2      LYS  53   9.240  -0.700   3.563
  417    HD3  LYS  53           HD1      LYS  53  10.725  -1.603   3.853
  418    HE2  LYS  53           HE2      LYS  53   7.920  -2.777   3.973
  419    HE3  LYS  53           HE1      LYS  53   9.028  -2.919   2.609
  420    HZ1  LYS  53           HZ1      LYS  53   9.448  -4.006   5.333
  421    HZ2  LYS  53           HZ2      LYS  53  10.592  -4.060   4.095
  422    HZ3  LYS  53           HZ3      LYS  53   9.126  -4.896   3.932
  423    H    PHE  54           HN       PHE  54   7.704   2.001   3.863
  424    HA   PHE  54           HA       PHE  54   6.309   0.439   1.788
  425    HB2  PHE  54           HB2      PHE  54   7.494   3.247   1.779
  426    HB3  PHE  54           HB1      PHE  54   6.859   2.475   0.332
  427    HD1  PHE  54           HD1      PHE  54   5.979   4.002   3.554
  428    HD2  PHE  54           HD2      PHE  54   4.422   2.170   0.023
  429    HE1  PHE  54           HE1      PHE  54   3.755   4.866   4.083
  430    HE2  PHE  54           HE2      PHE  54   2.196   3.059   0.567
  431    HZ   PHE  54           HZ       PHE  54   1.858   4.401   2.592
  432    H    ALA  55           HN       ALA  55   7.405  -0.860   0.494
  433    HA   ALA  55           HA       ALA  55  10.329  -0.711   0.200
  434    HB1  ALA  55           HB1      ALA  55  10.093  -2.898  -0.937
  435    HB2  ALA  55           HB2      ALA  55   8.337  -2.801  -0.769
  436    HB3  ALA  55           HB3      ALA  55   9.356  -2.929   0.667
  437    H    LEU  56           HN       LEU  56  11.279  -0.415  -1.888
  438    HA   LEU  56           HA       LEU  56  10.136   1.511  -3.527
  439    HB2  LEU  56           HB2      LEU  56  12.617   0.805  -3.237
  440    HB3  LEU  56           HB1      LEU  56  12.315  -0.384  -4.481
  441    HG   LEU  56           HG       LEU  56  13.463   1.791  -5.198
  442   HD11  LEU  56          HD11      LEU  56  12.528   0.318  -6.875
  443   HD12  LEU  56          HD12      LEU  56  12.320   2.005  -7.338
  444   HD13  LEU  56          HD13      LEU  56  10.947   1.084  -6.711
  445   HD21  LEU  56          HD21      LEU  56  12.084   3.328  -3.865
  446   HD22  LEU  56          HD22      LEU  56  10.691   2.977  -4.892
  447   HD23  LEU  56          HD23      LEU  56  12.115   3.772  -5.567
  448    H    GLY  57           HN       GLY  57  10.139  -2.007  -3.889
  449    HA2  GLY  57           HA2      GLY  57   8.981  -2.326  -6.411
  450    HA3  GLY  57           HA1      GLY  57   8.767  -3.430  -5.056
  451    H    GLU  58           HN       GLU  58   7.365  -2.041  -3.234
  452    HA   GLU  58           HA       GLU  58   4.682  -2.129  -4.093
  453    HB2  GLU  58           HB2      GLU  58   5.828  -0.738  -1.631
  454    HB3  GLU  58           HB1      GLU  58   4.123  -1.115  -1.882
  455    HG2  GLU  58           HG2      GLU  58   4.710  -3.535  -1.927
  456    HG3  GLU  58           HG1      GLU  58   6.385  -3.114  -1.570
  457    H    LEU  59           HN       LEU  59   6.956   0.559  -3.840
  458    HA   LEU  59           HA       LEU  59   5.106   2.692  -4.201
  459    HB2  LEU  59           HB2      LEU  59   8.109   2.604  -4.695
  460    HB3  LEU  59           HB1      LEU  59   7.139   4.075  -4.670
  461    HG   LEU  59           HG       LEU  59   7.610   2.207  -2.310
  462   HD11  LEU  59          HD11      LEU  59   8.631   5.023  -2.790
  463   HD12  LEU  59          HD12      LEU  59   9.586   3.538  -2.832
  464   HD13  LEU  59          HD13      LEU  59   8.859   4.070  -1.318
  465   HD21  LEU  59          HD21      LEU  59   5.369   3.118  -2.166
  466   HD22  LEU  59          HD22      LEU  59   5.965   4.754  -2.459
  467   HD23  LEU  59          HD23      LEU  59   6.394   3.909  -0.971
  468    H    GLN  60           HN       GLN  60   7.097   0.808  -6.462
  469    HA   GLN  60           HA       GLN  60   6.237   2.198  -8.820
  470    HB2  GLN  60           HB2      GLN  60   7.414  -0.597  -8.563
  471    HB3  GLN  60           HB1      GLN  60   7.266   0.315 -10.063
  472    HG2  GLN  60           HG2      GLN  60   8.977   1.120  -7.688
  473    HG3  GLN  60           HG1      GLN  60   9.568   0.292  -9.124
  474   HE21  GLN  60          HE21      GLN  60  11.024   1.922  -9.635
  475   HE22  GLN  60          HE22      GLN  60  10.546   3.478 -10.201
  476    H    LYS  61           HN       LYS  61   4.806  -0.316  -6.869
  477    HA   LYS  61           HA       LYS  61   2.859  -1.132  -8.868
  478    HB2  LYS  61           HB2      LYS  61   2.835  -1.678  -5.865
  479    HB3  LYS  61           HB1      LYS  61   1.783  -2.433  -7.059
  480    HG2  LYS  61           HG2      LYS  61   4.771  -2.808  -6.735
  481    HG3  LYS  61           HG1      LYS  61   3.507  -4.007  -6.473
  482    HD2  LYS  61           HD2      LYS  61   4.234  -2.771  -9.167
  483    HD3  LYS  61           HD1      LYS  61   4.767  -4.355  -8.605
  484    HE2  LYS  61           HE2      LYS  61   2.508  -5.211  -8.661
  485    HE3  LYS  61           HE1      LYS  61   1.845  -3.602  -8.955
  486    HZ1  LYS  61           HZ1      LYS  61   2.870  -3.564 -11.093
  487    HZ2  LYS  61           HZ2      LYS  61   1.970  -4.986 -10.949
  488    HZ3  LYS  61           HZ3      LYS  61   3.654  -5.039 -10.809
  489    H    LEU  62           HN       LEU  62   3.167   1.568  -6.799
  490    HA   LEU  62           HA       LEU  62   0.340   2.184  -6.579
  491    HB2  LEU  62           HB2      LEU  62   2.772   3.995  -6.217
  492    HB3  LEU  62           HB1      LEU  62   1.121   4.381  -5.741
  493    HG   LEU  62           HG       LEU  62   2.821   2.157  -4.524
  494   HD11  LEU  62          HD11      LEU  62   3.690   4.360  -3.915
  495   HD12  LEU  62          HD12      LEU  62   2.955   3.574  -2.522
  496   HD13  LEU  62          HD13      LEU  62   2.090   4.866  -3.360
  497   HD21  LEU  62          HD21      LEU  62   1.033   1.964  -2.830
  498   HD22  LEU  62          HD22      LEU  62   0.439   1.590  -4.444
  499   HD23  LEU  62          HD23      LEU  62   0.062   3.151  -3.711
  500    H    LYS  63           HN       LYS  63  -0.848   3.400  -8.023
  501    HA   LYS  63           HA       LYS  63   0.518   4.701 -10.310
  502    HB2  LYS  63           HB2      LYS  63  -0.716   2.735 -11.029
  503    HB3  LYS  63           HB1      LYS  63  -2.158   3.233 -10.166
  504    HG2  LYS  63           HG2      LYS  63  -1.104   4.974 -12.390
  505    HG3  LYS  63           HG1      LYS  63  -1.957   3.483 -12.793
  506    HD2  LYS  63           HD2      LYS  63  -3.883   4.280 -11.383
  507    HD3  LYS  63           HD1      LYS  63  -3.043   5.816 -11.170
  508    HE2  LYS  63           HE2      LYS  63  -3.133   6.189 -13.613
  509    HE3  LYS  63           HE1      LYS  63  -3.982   4.651 -13.818
  510    HZ1  LYS  63           HZ1      LYS  63  -5.748   5.547 -12.355
  511    HZ2  LYS  63           HZ2      LYS  63  -5.569   6.420 -13.789
  512    HZ3  LYS  63           HZ3      LYS  63  -4.954   7.041 -12.343
  513    H    ASN  64           HN       ASN  64  -2.039   4.855  -7.883
  514    HA   ASN  64           HA       ASN  64  -1.941   7.751  -7.807
  515    HB2  ASN  64           HB2      ASN  64  -4.461   7.980  -8.077
  516    HB3  ASN  64           HB1      ASN  64  -3.576   7.622  -9.545
  517   HD21  ASN  64          HD21      ASN  64  -4.466   5.152  -7.139
  518   HD22  ASN  64          HD22      ASN  64  -5.599   4.359  -8.149
  519    H    VAL  65           HN       VAL  65  -3.944   8.414  -6.127
  520    HA   VAL  65           HA       VAL  65  -3.056   7.307  -3.632
  521    HB   VAL  65           HB       VAL  65  -5.419   9.215  -4.013
  522   HG11  VAL  65          HG11      VAL  65  -4.965   9.923  -1.702
  523   HG12  VAL  65          HG12      VAL  65  -3.608   8.798  -1.597
  524   HG13  VAL  65          HG13      VAL  65  -5.252   8.186  -1.749
  525   HG21  VAL  65          HG21      VAL  65  -2.504   9.936  -3.573
  526   HG22  VAL  65          HG22      VAL  65  -3.858  11.068  -3.656
  527   HG23  VAL  65          HG23      VAL  65  -3.398  10.142  -5.081
  528    H    GLY  66           HN       GLY  66  -5.628   6.465  -5.789
  529    HA2  GLY  66           HA2      GLY  66  -7.323   5.039  -3.984
  530    HA3  GLY  66           HA1      GLY  66  -7.173   4.761  -5.717
  531    H    ASP  67           HN       ASP  67  -4.372   4.204  -5.755
  532    HA   ASP  67           HA       ASP  67  -4.183   1.502  -4.876
  533    HB2  ASP  67           HB2      ASP  67  -2.010   3.440  -5.775
  534    HB3  ASP  67           HB1      ASP  67  -1.711   1.740  -5.417
  535    H    LEU  68           HN       LEU  68  -2.978   4.616  -3.550
  536    HA   LEU  68           HA       LEU  68  -1.718   3.546  -1.239
  537    HB2  LEU  68           HB2      LEU  68  -2.798   6.304  -1.901
  538    HB3  LEU  68           HB1      LEU  68  -2.246   5.955  -0.283
  539    HG   LEU  68           HG       LEU  68  -0.498   7.112  -1.430
  540   HD11  LEU  68          HD11      LEU  68   0.258   4.195  -1.201
  541   HD12  LEU  68          HD12      LEU  68   0.220   5.376   0.111
  542   HD13  LEU  68          HD13      LEU  68   1.371   5.568  -1.210
  543   HD21  LEU  68          HD21      LEU  68  -0.616   4.994  -3.598
  544   HD22  LEU  68          HD22      LEU  68   0.566   6.303  -3.495
  545   HD23  LEU  68          HD23      LEU  68  -1.139   6.674  -3.744
  546    H    ALA  69           HN       ALA  69  -5.090   4.215  -1.962
  547    HA   ALA  69           HA       ALA  69  -6.086   4.262   0.700
  548    HB1  ALA  69           HB1      ALA  69  -8.297   3.860  -0.299
  549    HB2  ALA  69           HB2      ALA  69  -7.544   3.410  -1.833
  550    HB3  ALA  69           HB3      ALA  69  -7.413   5.063  -1.238
  551    H    ASP  70           HN       ASP  70  -5.965   1.759  -1.761
  552    HA   ASP  70           HA       ASP  70  -6.804  -0.422  -0.168
  553    HB2  ASP  70           HB2      ASP  70  -6.826  -0.353  -2.694
  554    HB3  ASP  70           HB1      ASP  70  -5.074  -0.518  -2.685
  555    H    LEU  71           HN       LEU  71  -3.579   0.841  -0.965
  556    HA   LEU  71           HA       LEU  71  -2.068  -1.371  -0.003
  557    HB2  LEU  71           HB2      LEU  71  -1.364   0.183  -1.846
  558    HB3  LEU  71           HB1      LEU  71  -1.106   1.446  -0.670
  559    HG   LEU  71           HG       LEU  71   0.979   0.334  -1.570
  560   HD11  LEU  71          HD11      LEU  71   2.204   0.236   0.520
  561   HD12  LEU  71          HD12      LEU  71   0.692   0.160   1.427
  562   HD13  LEU  71          HD13      LEU  71   1.089   1.603   0.494
  563   HD21  LEU  71          HD21      LEU  71   1.689  -1.836  -0.757
  564   HD22  LEU  71          HD22      LEU  71   0.187  -1.980  -1.671
  565   HD23  LEU  71          HD23      LEU  71   0.153  -2.057   0.093
  566    H    VAL  72           HN       VAL  72  -2.394   2.003   1.303
  567    HA   VAL  72           HA       VAL  72  -1.012   1.436   3.714
  568    HB   VAL  72           HB       VAL  72  -3.030   3.670   3.227
  569   HG11  VAL  72          HG11      VAL  72  -2.581   3.362   5.636
  570   HG12  VAL  72          HG12      VAL  72  -1.887   4.879   5.063
  571   HG13  VAL  72          HG13      VAL  72  -0.844   3.480   5.339
  572   HG21  VAL  72          HG21      VAL  72  -1.050   5.097   2.718
  573   HG22  VAL  72          HG22      VAL  72  -1.262   3.789   1.553
  574   HG23  VAL  72          HG23      VAL  72  -0.021   3.662   2.806
  575    H    ASP  73           HN       ASP  73  -4.422   0.995   2.778
  576    HA   ASP  73           HA       ASP  73  -5.330   0.285   5.415
  577    HB2  ASP  73           HB2      ASP  73  -6.891   0.899   3.538
  578    HB3  ASP  73           HB1      ASP  73  -6.506  -0.629   2.753
  579    H    LYS  74           HN       LYS  74  -3.719  -1.442   2.821
  580    HA   LYS  74           HA       LYS  74  -3.958  -4.093   3.910
  581    HB2  LYS  74           HB2      LYS  74  -1.801  -3.011   2.042
  582    HB3  LYS  74           HB1      LYS  74  -1.964  -4.702   2.498
  583    HG2  LYS  74           HG2      LYS  74  -3.866  -3.058   0.822
  584    HG3  LYS  74           HG1      LYS  74  -2.873  -4.416   0.305
  585    HD2  LYS  74           HD2      LYS  74  -4.231  -5.910   1.793
  586    HD3  LYS  74           HD1      LYS  74  -5.255  -4.526   2.197
  587    HE2  LYS  74           HE2      LYS  74  -5.824  -4.311  -0.241
  588    HE3  LYS  74           HE1      LYS  74  -4.899  -5.785  -0.546
  589    HZ1  LYS  74           HZ1      LYS  74  -7.293  -5.549   1.185
  590    HZ2  LYS  74           HZ2      LYS  74  -6.404  -6.967   0.938
  591    HZ3  LYS  74           HZ3      LYS  74  -7.231  -6.254  -0.351
  592    H    LYS  75           HN       LYS  75  -1.685  -1.415   4.384
  593    HA   LYS  75           HA       LYS  75   0.211  -2.723   6.018
  594    HB2  LYS  75           HB2      LYS  75  -0.655   0.206   5.978
  595    HB3  LYS  75           HB1      LYS  75   0.775  -0.404   6.805
  596    HG2  LYS  75           HG2      LYS  75   0.289  -0.457   3.810
  597    HG3  LYS  75           HG1      LYS  75   1.356   0.654   4.674
  598    HD2  LYS  75           HD2      LYS  75   2.755  -1.269   5.391
  599    HD3  LYS  75           HD1      LYS  75   1.690  -2.371   4.514
  600    HE2  LYS  75           HE2      LYS  75   2.308  -1.229   2.389
  601    HE3  LYS  75           HE1      LYS  75   3.405  -0.178   3.294
  602    HZ1  LYS  75           HZ1      LYS  75   3.594  -3.132   3.151
  603    HZ2  LYS  75           HZ2      LYS  75   4.666  -2.099   3.957
  604    HZ3  LYS  75           HZ3      LYS  75   4.543  -2.043   2.275
  605    H    LEU  76           HN       LEU  76  -2.718  -0.847   6.769
  606    HA   LEU  76           HA       LEU  76  -2.700  -1.225   9.591
  607    HB2  LEU  76           HB2      LEU  76  -5.016  -0.570   7.726
  608    HB3  LEU  76           HB1      LEU  76  -5.063  -0.423   9.478
  609    HG   LEU  76           HG       LEU  76  -3.296   1.210   7.603
  610   HD11  LEU  76          HD11      LEU  76  -5.643   1.851   7.424
  611   HD12  LEU  76          HD12      LEU  76  -4.708   3.119   8.206
  612   HD13  LEU  76          HD13      LEU  76  -5.746   2.069   9.176
  613   HD21  LEU  76          HD21      LEU  76  -3.586   1.435  10.621
  614   HD22  LEU  76          HD22      LEU  76  -2.671   2.534   9.586
  615   HD23  LEU  76          HD23      LEU  76  -2.163   0.857   9.748
  616    H    ALA  77           HN       ALA  77  -3.822  -3.181   6.923
  617    HA   ALA  77           HA       ALA  77  -5.394  -5.070   8.431
  618    HB1  ALA  77           HB1      ALA  77  -5.792  -4.667   6.019
  619    HB2  ALA  77           HB2      ALA  77  -5.459  -6.370   6.347
  620    HB3  ALA  77           HB3      ALA  77  -4.204  -5.337   5.652
  621    H    ARG  78           HN       ARG  78  -2.031  -4.635   7.727
  622    HA   ARG  78           HA       ARG  78  -1.237  -7.278   8.650
  623    HB2  ARG  78           HB2      ARG  78   0.443  -4.802   8.070
  624    HB3  ARG  78           HB1      ARG  78   1.090  -6.385   8.491
  625    HG2  ARG  78           HG2      ARG  78  -0.458  -5.691   5.977
  626    HG3  ARG  78           HG1      ARG  78   1.279  -5.963   6.098
  627    HD2  ARG  78           HD2      ARG  78  -0.906  -8.025   6.573
  628    HD3  ARG  78           HD1      ARG  78   0.167  -7.938   5.173
  629    HE   ARG  78           HE       ARG  78   1.728  -8.122   7.517
  630   HH11  ARG  78          HH11      ARG  78  -0.383 -10.163   5.581
  631   HH12  ARG  78          HH12      ARG  78   0.381 -11.630   6.099
  632   HH21  ARG  78          HH21      ARG  78   2.688 -10.033   8.190
  633   HH22  ARG  78          HH22      ARG  78   2.119 -11.555   7.586
  634    H    LYS  79           HN       LYS  79  -1.799  -4.073  10.039
  635    HA   LYS  79           HA       LYS  79  -0.039  -4.340  12.291
  636    HB2  LYS  79           HB2      LYS  79  -2.401  -2.458  11.850
  637    HB3  LYS  79           HB1      LYS  79  -1.301  -2.348  13.221
  638    HG2  LYS  79           HG2      LYS  79  -0.577  -1.969  10.302
  639    HG3  LYS  79           HG1      LYS  79  -0.749  -0.694  11.513
  640    HD2  LYS  79           HD2      LYS  79   1.161  -1.638  12.778
  641    HD3  LYS  79           HD1      LYS  79   1.328  -2.926  11.578
  642    HE2  LYS  79           HE2      LYS  79   1.838  -1.228   9.847
  643    HE3  LYS  79           HE1      LYS  79   1.686   0.045  11.062
  644    HZ1  LYS  79           HZ1      LYS  79   3.982  -0.594  10.652
  645    HZ2  LYS  79           HZ2      LYS  79   3.647  -2.170  11.156
  646    HZ3  LYS  79           HZ3      LYS  79   3.525  -0.894  12.252
  647    H    LEU  80           HN       LEU  80  -3.613  -4.028  12.458
  648    HA   LEU  80           HA       LEU  80  -5.089  -4.477  14.076
  649    HB2  LEU  80           HB2      LEU  80  -3.752  -7.163  13.742
  650    HB3  LEU  80           HB1      LEU  80  -5.108  -6.961  14.827
  651    HG   LEU  80           HG       LEU  80  -5.919  -7.875  12.756
  652   HD11  LEU  80          HD11      LEU  80  -7.422  -6.294  13.855
  653   HD12  LEU  80          HD12      LEU  80  -7.629  -6.256  12.108
  654   HD13  LEU  80          HD13      LEU  80  -6.742  -4.960  12.914
  655   HD21  LEU  80          HD21      LEU  80  -5.709  -6.758  10.588
  656   HD22  LEU  80          HD22      LEU  80  -4.135  -7.189  11.249
  657   HD23  LEU  80          HD23      LEU  80  -4.685  -5.514  11.314
  658    H    GLU  81           HN       GLU  81  -2.348  -6.372  15.443
  659    HA   GLU  81           HA       GLU  81  -2.982  -5.966  18.133
  660    HB2  GLU  81           HB2      GLU  81  -0.271  -6.612  16.908
  661    HB3  GLU  81           HB1      GLU  81  -0.667  -6.768  18.620
  662    HG2  GLU  81           HG2      GLU  81  -2.430  -8.422  18.016
  663    HG3  GLU  81           HG1      GLU  81  -1.897  -8.329  16.337
  664    H    HIS  82           HN       HIS  82  -0.569  -4.177  16.144
  665    HA   HIS  82           HA       HIS  82   0.129  -2.312  18.208
  666    HB2  HIS  82           HB2      HIS  82   0.537  -2.245  15.191
  667    HB3  HIS  82           HB1      HIS  82   0.975  -0.872  16.205
  668    HD1  HIS  82           HD1      HIS  82   3.335  -1.709  14.939
  669    HD2  HIS  82           HD2      HIS  82   1.932  -3.907  18.170
  670    HE1  HIS  82           HE1      HIS  82   5.320  -2.991  15.794
  671    HE2  HIS  82           HE2      HIS  82   4.464  -4.226  17.812
  672    H    HIS  83           HN       HIS  83  -1.657  -1.499  19.116
  673    HA   HIS  83           HA       HIS  83  -3.860  -0.395  17.593
  674    HB2  HIS  83           HB2      HIS  83  -4.817   0.144  19.882
  675    HB3  HIS  83           HB1      HIS  83  -4.483  -1.559  19.601
  676    HD1  HIS  83           HD1      HIS  83  -2.933   1.415  21.397
  677    HD2  HIS  83           HD2      HIS  83  -2.941  -2.734  21.521
  678    HE1  HIS  83           HE1      HIS  83  -1.649   0.806  23.465
  679    HE2  HIS  83           HE2      HIS  83  -1.476  -1.704  23.386
  680    H    HIS  84           HN       HIS  84  -4.138   1.646  17.045
  681    HA   HIS  84           HA       HIS  84  -2.187   3.690  17.618
  682    HB2  HIS  84           HB2      HIS  84  -3.649   5.131  16.191
  683    HB3  HIS  84           HB1      HIS  84  -3.196   3.630  15.406
  684    HD1  HIS  84           HD1      HIS  84  -5.041   2.188  14.539
  685    HD2  HIS  84           HD2      HIS  84  -6.445   5.181  17.046
  686    HE1  HIS  84           HE1      HIS  84  -7.537   2.030  14.431
  687    HE2  HIS  84           HE2      HIS  84  -8.360   3.978  15.791
  688    H    HIS  85           HN       HIS  85  -5.169   2.651  19.017
  689    HA   HIS  85           HA       HIS  85  -5.128   4.888  20.962
  690    HB2  HIS  85           HB2      HIS  85  -7.021   5.211  19.360
  691    HB3  HIS  85           HB1      HIS  85  -7.621   3.596  19.717
  692    HD1  HIS  85           HD1      HIS  85  -8.772   3.259  22.058
  693    HD2  HIS  85           HD2      HIS  85  -7.707   7.183  21.210
  694    HE1  HIS  85           HE1      HIS  85  -9.931   4.654  23.785
  695    HE2  HIS  85           HE2      HIS  85  -9.425   7.029  23.126
  696    H    HIS  86           HN       HIS  86  -5.281   4.197  23.097
  697    HA   HIS  86           HA       HIS  86  -5.082   1.394  23.674
  698    HB2  HIS  86           HB2      HIS  86  -4.928   2.027  26.040
  699    HB3  HIS  86           HB1      HIS  86  -3.897   3.060  25.071
  700    HD1  HIS  86           HD1      HIS  86  -6.861   3.122  27.322
  701    HD2  HIS  86           HD2      HIS  86  -4.660   5.800  25.033
  702    HE1  HIS  86           HE1      HIS  86  -7.612   5.408  28.050
  703    HE2  HIS  86           HE2      HIS  86  -6.377   7.002  26.549
  704    H    HIS  87           HN       HIS  87  -6.758   0.092  23.443
  705    HA   HIS  87           HA       HIS  87  -8.785  -0.871  23.467
  706    HB2  HIS  87           HB2      HIS  87  -8.762  -0.569  25.894
  707    HB3  HIS  87           HB1      HIS  87  -9.366   1.076  25.746
  708    HD1  HIS  87           HD1      HIS  87 -11.889   1.332  24.969
  709    HD2  HIS  87           HD2      HIS  87 -10.728  -2.542  25.945
  710    HE1  HIS  87           HE1      HIS  87 -14.028   0.043  25.270
  711    HE2  HIS  87           HE2      HIS  87 -13.299  -2.241  26.012
  712   H282  PNS  88          H282      PNS  88   7.165  12.045 -10.785
  713   H281  PNS  88          H281      PNS  88   7.413  11.474 -12.439
  714   H303  PNS  88          H303      PNS  88   4.165   9.854 -11.316
  715   H302  PNS  88          H302      PNS  88   4.708  11.513 -11.056
  716   H301  PNS  88          H301      PNS  88   4.891  10.779 -12.646
  717   H313  PNS  88          H313      PNS  88   5.517   8.961  -9.475
  718   H312  PNS  88          H312      PNS  88   7.246   9.279  -9.363
  719   H311  PNS  88          H311      PNS  88   6.096  10.583  -9.064
  720    H32  PNS  88           H32      PNS  88   6.906   9.141 -13.088
  721    H33  PNS  88           H33      PNS  88   7.826   7.215 -11.730
  722    H36  PNS  88           H36      PNS  88   5.867   7.323 -10.197
  723   H372  PNS  88          H372      PNS  88   3.375   6.421 -11.230
  724   H371  PNS  88          H371      PNS  88   4.628   5.181 -11.409
  725   H382  PNS  88          H382      PNS  88   3.452   4.824  -9.325
  726   H381  PNS  88          H381      PNS  88   5.096   5.347  -8.971
  727    H41  PNS  88           H41      PNS  88   1.887   6.808  -9.608
  728   H422  PNS  88          H422      PNS  88   2.336   9.100  -7.904
  729   H421  PNS  88          H421      PNS  88   0.871   8.697  -8.797
  730   H431  PNS  88          H431      PNS  88   0.333   6.993  -7.056
  731   H432  PNS  88          H432      PNS  88   0.382   8.642  -6.435
  732    H44  PNS  88           H44      PNS  88   3.299   7.948  -5.791
  Start of MODEL   16
    1    H1   MET   1           HT1      MET   1 -10.259   0.686   4.576
    2    H2   MET   1           HT2      MET   1  -9.651   1.311   3.135
    3    H3   MET   1           HT3      MET   1 -10.773   0.053   3.101
    4    HA   MET   1           HA       MET   1 -11.750   2.135   2.490
    5    HB2  MET   1           HB2      MET   1 -12.764   0.978   5.115
    6    HB3  MET   1           HB1      MET   1 -13.669   2.134   4.140
    7    HG2  MET   1           HG2      MET   1 -12.810  -0.636   3.258
    8    HG3  MET   1           HG1      MET   1 -14.443  -0.139   3.719
    9    HE1  MET   1           HE1      MET   1 -15.496  -1.025   1.450
   10    HE2  MET   1           HE2      MET   1 -13.915  -1.611   0.929
   11    HE3  MET   1           HE3      MET   1 -14.881  -0.607  -0.149
   12    HA   PRO   2           HA       PRO   2 -11.525   5.265   6.089
   13    HB2  PRO   2           HB2      PRO   2 -10.468   4.791   8.499
   14    HB3  PRO   2           HB1      PRO   2 -11.983   4.006   8.024
   15    HG2  PRO   2           HG2      PRO   2  -9.180   2.878   7.999
   16    HG3  PRO   2           HG1      PRO   2 -10.672   2.137   8.621
   17    HD2  PRO   2           HD2      PRO   2  -9.620   1.626   6.102
   18    HD3  PRO   2           HD1      PRO   2 -11.335   1.434   6.518
   19    H    THR   3           HN       THR   3  -9.180   4.535   4.310
   20    HA   THR   3           HA       THR   3  -6.808   5.534   5.600
   21    HB   THR   3           HB       THR   3  -5.821   5.308   3.255
   22    HG1  THR   3           HG1      THR   3  -7.394   3.823   1.993
   23   HG21  THR   3          HG21      THR   3  -7.178   2.856   4.437
   24   HG22  THR   3          HG22      THR   3  -5.619   3.514   4.940
   25   HG23  THR   3          HG23      THR   3  -5.809   2.847   3.319
   26    H    LEU   4           HN       LEU   4  -8.788   6.716   2.790
   27    HA   LEU   4           HA       LEU   4  -7.290   8.977   2.192
   28    HB2  LEU   4           HB2      LEU   4 -10.271   8.512   1.830
   29    HB3  LEU   4           HB1      LEU   4  -9.406   9.863   1.113
   30    HG   LEU   4           HG       LEU   4  -8.949   6.917   0.480
   31   HD11  LEU   4          HD11      LEU   4 -10.194   9.127  -1.188
   32   HD12  LEU   4          HD12      LEU   4 -11.044   7.765  -0.452
   33   HD13  LEU   4          HD13      LEU   4  -9.867   7.480  -1.731
   34   HD21  LEU   4          HD21      LEU   4  -7.408   7.707  -1.285
   35   HD22  LEU   4          HD22      LEU   4  -6.830   8.156   0.316
   36   HD23  LEU   4          HD23      LEU   4  -7.593   9.368  -0.717
   37    H    ASP   5           HN       ASP   5  -9.931   8.660   4.502
   38    HA   ASP   5           HA       ASP   5 -10.335  11.242   5.426
   39    HB2  ASP   5           HB2      ASP   5 -11.719   9.403   6.213
   40    HB3  ASP   5           HB1      ASP   5 -10.326   8.560   6.879
   41    H    ALA   6           HN       ALA   6  -8.026   8.840   6.614
   42    HA   ALA   6           HA       ALA   6  -6.682  10.577   8.462
   43    HB1  ALA   6           HB1      ALA   6  -5.221   8.626   8.835
   44    HB2  ALA   6           HB2      ALA   6  -5.938   7.813   7.440
   45    HB3  ALA   6           HB3      ALA   6  -6.923   8.162   8.864
   46    H    LEU   7           HN       LEU   7  -6.271   9.766   5.096
   47    HA   LEU   7           HA       LEU   7  -3.475  10.413   4.893
   48    HB2  LEU   7           HB2      LEU   7  -5.568   9.923   2.742
   49    HB3  LEU   7           HB1      LEU   7  -3.878  10.249   2.397
   50    HG   LEU   7           HG       LEU   7  -5.001   7.799   3.808
   51   HD11  LEU   7          HD11      LEU   7  -4.131   6.550   1.886
   52   HD12  LEU   7          HD12      LEU   7  -3.597   8.055   1.132
   53   HD13  LEU   7          HD13      LEU   7  -5.319   7.754   1.390
   54   HD21  LEU   7          HD21      LEU   7  -2.702   6.933   3.903
   55   HD22  LEU   7          HD22      LEU   7  -2.889   8.388   4.877
   56   HD23  LEU   7          HD23      LEU   7  -2.087   8.477   3.305
   57    H    THR   8           HN       THR   8  -6.510  12.141   4.507
   58    HA   THR   8           HA       THR   8  -5.774  14.245   2.877
   59    HB   THR   8           HB       THR   8  -7.782  14.280   5.163
   60    HG1  THR   8           HG1      THR   8  -8.658  12.942   3.757
   61   HG21  THR   8          HG21      THR   8  -8.841  16.189   3.989
   62   HG22  THR   8          HG22      THR   8  -7.506  16.223   2.836
   63   HG23  THR   8          HG23      THR   8  -7.211  16.604   4.533
   64    HA   PRO   9           HA       PRO   9  -4.139  16.832   6.796
   65    HB2  PRO   9           HB2      PRO   9  -3.401  14.544   8.620
   66    HB3  PRO   9           HB1      PRO   9  -4.006  16.160   9.027
   67    HG2  PRO   9           HG2      PRO   9  -5.635  14.065   9.183
   68    HG3  PRO   9           HG1      PRO   9  -6.227  15.598   8.506
   69    HD2  PRO   9           HD2      PRO   9  -5.348  13.103   7.047
   70    HD3  PRO   9           HD1      PRO   9  -6.767  14.135   6.754
   71    H    ILE  10           HN       ILE  10  -2.863  13.619   5.948
   72    HA   ILE  10           HA       ILE  10  -0.099  14.181   6.358
   73    HB   ILE  10           HB       ILE  10  -1.264  12.091   4.456
   74   HG12  ILE  10          HG12      ILE  10  -2.186  11.773   6.742
   75   HG13  ILE  10          HG11      ILE  10  -1.101  10.460   6.313
   76   HG21  ILE  10          HG21      ILE  10   0.895  10.903   4.790
   77   HG22  ILE  10          HG22      ILE  10   1.485  12.249   5.763
   78   HG23  ILE  10          HG23      ILE  10   1.119  12.489   4.054
   79   HD11  ILE  10          HD11      ILE  10  -0.813  11.105   8.618
   80   HD12  ILE  10          HD12      ILE  10  -0.469  12.769   8.149
   81   HD13  ILE  10          HD13      ILE  10   0.650  11.477   7.708
   82    H    PHE  11           HN       PHE  11  -2.076  14.045   3.363
   83    HA   PHE  11           HA       PHE  11   0.001  14.806   1.576
   84    HB2  PHE  11           HB2      PHE  11  -3.027  14.705   1.269
   85    HB3  PHE  11           HB1      PHE  11  -1.972  15.217  -0.042
   86    HD1  PHE  11           HD1      PHE  11  -2.061  12.340   2.409
   87    HD2  PHE  11           HD2      PHE  11  -1.616  13.565  -1.657
   88    HE1  PHE  11           HE1      PHE  11  -1.841   9.993   1.726
   89    HE2  PHE  11           HE2      PHE  11  -1.394  11.214  -2.323
   90    HZ   PHE  11           HZ       PHE  11  -1.506   9.428  -0.645
   91    H    ARG  12           HN       ARG  12  -2.672  16.602   3.115
   92    HA   ARG  12           HA       ARG  12  -2.116  19.126   1.967
   93    HB2  ARG  12           HB2      ARG  12  -3.580  18.359   4.515
   94    HB3  ARG  12           HB1      ARG  12  -3.424  20.036   3.988
   95    HG2  ARG  12           HG2      ARG  12  -4.567  19.408   1.839
   96    HG3  ARG  12           HG1      ARG  12  -4.816  17.785   2.493
   97    HD2  ARG  12           HD2      ARG  12  -6.167  18.736   4.331
   98    HD3  ARG  12           HD1      ARG  12  -5.921  20.363   3.678
   99    HE   ARG  12           HE       ARG  12  -6.970  18.899   1.606
  100   HH11  ARG  12          HH11      ARG  12  -8.119  19.775   4.808
  101   HH12  ARG  12          HH12      ARG  12  -9.789  19.671   4.354
  102   HH21  ARG  12          HH21      ARG  12  -9.142  18.732   1.044
  103   HH22  ARG  12          HH22      ARG  12 -10.373  19.059   2.222
  104    H    GLN  13           HN       GLN  13  -0.586  17.446   4.682
  105    HA   GLN  13           HA       GLN  13   0.787  19.800   5.630
  106    HB2  GLN  13           HB2      GLN  13   0.266  17.779   7.069
  107    HB3  GLN  13           HB1      GLN  13   1.506  16.895   6.185
  108    HG2  GLN  13           HG2      GLN  13   3.216  18.518   6.973
  109    HG3  GLN  13           HG1      GLN  13   1.960  19.398   7.850
  110   HE21  GLN  13          HE21      GLN  13   3.970  16.565   7.809
  111   HE22  GLN  13          HE22      GLN  13   3.593  16.018   9.400
  112    H    VAL  14           HN       VAL  14   1.771  16.902   3.818
  113    HA   VAL  14           HA       VAL  14   4.444  17.459   3.353
  114    HB   VAL  14           HB       VAL  14   2.477  15.807   1.708
  115   HG11  VAL  14          HG11      VAL  14   4.360  16.394   0.234
  116   HG12  VAL  14          HG12      VAL  14   4.443  14.686   0.668
  117   HG13  VAL  14          HG13      VAL  14   5.513  15.850   1.454
  118   HG21  VAL  14          HG21      VAL  14   3.539  13.877   2.858
  119   HG22  VAL  14          HG22      VAL  14   2.822  15.002   4.011
  120   HG23  VAL  14          HG23      VAL  14   4.570  14.986   3.767
  121    H    PHE  15           HN       PHE  15   1.689  18.133   1.168
  122    HA   PHE  15           HA       PHE  15   3.350  19.653  -0.677
  123    HB2  PHE  15           HB2      PHE  15   0.348  19.120  -0.675
  124    HB3  PHE  15           HB1      PHE  15   1.215  19.960  -1.958
  125    HD1  PHE  15           HD1      PHE  15   2.981  18.704  -3.289
  126    HD2  PHE  15           HD2      PHE  15   0.307  16.699  -0.620
  127    HE1  PHE  15           HE1      PHE  15   3.491  16.558  -4.379
  128    HE2  PHE  15           HE2      PHE  15   0.824  14.556  -1.712
  129    HZ   PHE  15           HZ       PHE  15   2.418  14.484  -3.595
  130    H    ASP  16           HN       ASP  16   1.450  20.313   2.120
  131    HA   ASP  16           HA       ASP  16   0.919  22.129   3.323
  132    HB2  ASP  16           HB2      ASP  16   3.341  22.673   3.073
  133    HB3  ASP  16           HB1      ASP  16   2.972  23.623   1.639
  134    H    ASP  17           HN       ASP  17  -1.182  22.012   2.482
  135    HA   ASP  17           HA       ASP  17  -2.184  24.275   1.014
  136    HB2  ASP  17           HB2      ASP  17  -1.199  22.691  -0.779
  137    HB3  ASP  17           HB1      ASP  17  -2.447  21.537  -0.334
  138    H    ASP  18           HN       ASP  18  -4.705  23.612   0.471
  139    HA   ASP  18           HA       ASP  18  -5.857  22.265   2.837
  140    HB2  ASP  18           HB2      ASP  18  -7.187  24.125   3.502
  141    HB3  ASP  18           HB1      ASP  18  -5.579  24.790   3.254
  142    H    SER  19           HN       SER  19  -6.040  23.192  -0.460
  143    HA   SER  19           HA       SER  19  -8.865  22.531  -0.827
  144    HB2  SER  19           HB2      SER  19  -6.800  23.409  -2.886
  145    HB3  SER  19           HB1      SER  19  -8.553  23.389  -3.091
  146    HG   SER  19           HG       SER  19  -7.529  24.856  -0.947
  147    H    ILE  20           HN       ILE  20  -5.968  20.825  -0.719
  148    HA   ILE  20           HA       ILE  20  -6.271  18.895  -2.756
  149    HB   ILE  20           HB       ILE  20  -5.003  18.505  -0.004
  150   HG12  ILE  20          HG12      ILE  20  -3.712  19.335  -2.647
  151   HG13  ILE  20          HG11      ILE  20  -3.921  20.363  -1.233
  152   HG21  ILE  20          HG21      ILE  20  -4.634  16.860  -2.541
  153   HG22  ILE  20          HG22      ILE  20  -5.490  16.342  -1.089
  154   HG23  ILE  20          HG23      ILE  20  -3.751  16.625  -1.028
  155   HD11  ILE  20          HD11      ILE  20  -2.382  18.897   0.026
  156   HD12  ILE  20          HD12      ILE  20  -1.639  19.609  -1.405
  157   HD13  ILE  20          HD13      ILE  20  -2.152  17.924  -1.429
  158    H    VAL  21           HN       VAL  21  -8.147  17.813  -3.016
  159    HA   VAL  21           HA       VAL  21  -9.530  16.627  -0.675
  160    HB   VAL  21           HB       VAL  21 -10.777  17.530  -3.325
  161   HG11  VAL  21          HG11      VAL  21 -11.894  15.495  -2.487
  162   HG12  VAL  21          HG12      VAL  21 -12.962  16.887  -2.302
  163   HG13  VAL  21          HG13      VAL  21 -12.108  16.239  -0.899
  164   HG21  VAL  21          HG21      VAL  21 -11.997  19.207  -1.950
  165   HG22  VAL  21          HG22      VAL  21 -10.250  19.440  -1.846
  166   HG23  VAL  21          HG23      VAL  21 -11.118  18.669  -0.516
  167    H    LEU  22           HN       LEU  22  -8.757  14.610  -0.637
  168    HA   LEU  22           HA       LEU  22  -7.663  13.302  -2.941
  169    HB2  LEU  22           HB2      LEU  22  -8.125  12.284  -0.110
  170    HB3  LEU  22           HB1      LEU  22  -7.189  11.450  -1.348
  171    HG   LEU  22           HG       LEU  22  -6.481  14.143  -0.107
  172   HD11  LEU  22          HD11      LEU  22  -5.176  11.428   0.253
  173   HD12  LEU  22          HD12      LEU  22  -6.163  12.276   1.449
  174   HD13  LEU  22          HD13      LEU  22  -4.620  12.956   0.942
  175   HD21  LEU  22          HD21      LEU  22  -5.733  14.059  -2.446
  176   HD22  LEU  22          HD22      LEU  22  -4.953  12.499  -2.170
  177   HD23  LEU  22          HD23      LEU  22  -4.349  13.946  -1.361
  178    H    THR  23           HN       THR  23  -8.464  11.674  -4.080
  179    HA   THR  23           HA       THR  23 -10.844  10.179  -3.225
  180    HB   THR  23           HB       THR  23 -11.660  10.112  -5.603
  181    HG1  THR  23           HG1      THR  23  -9.981  12.308  -6.172
  182   HG21  THR  23          HG21      THR  23 -12.723  11.729  -4.071
  183   HG22  THR  23          HG22      THR  23 -12.660  12.362  -5.719
  184   HG23  THR  23          HG23      THR  23 -11.513  12.939  -4.506
  185    H    ARG  24           HN       ARG  24 -10.991   8.173  -4.696
  186    HA   ARG  24           HA       ARG  24  -8.447   6.815  -4.673
  187    HB2  ARG  24           HB2      ARG  24 -11.199   5.845  -5.545
  188    HB3  ARG  24           HB1      ARG  24  -9.777   4.821  -5.341
  189    HG2  ARG  24           HG2      ARG  24  -9.718   5.367  -2.932
  190    HG3  ARG  24           HG1      ARG  24 -11.122   6.417  -3.128
  191    HD2  ARG  24           HD2      ARG  24 -12.441   4.406  -3.868
  192    HD3  ARG  24           HD1      ARG  24 -11.032   3.401  -3.492
  193    HE   ARG  24           HE       ARG  24 -12.130   5.112  -1.365
  194   HH11  ARG  24          HH11      ARG  24 -11.685   1.863  -2.607
  195   HH12  ARG  24          HH12      ARG  24 -12.257   1.106  -1.158
  196   HH21  ARG  24          HH21      ARG  24 -12.897   4.097   0.516
  197   HH22  ARG  24          HH22      ARG  24 -12.972   2.369   0.593
  198    H    GLU  25           HN       GLU  25  -9.566   8.968  -6.864
  199    HA   GLU  25           HA       GLU  25  -8.083   7.685  -9.082
  200    HB2  GLU  25           HB2      GLU  25  -9.582   8.896 -10.649
  201    HB3  GLU  25           HB1      GLU  25 -10.464   7.770  -9.622
  202    HG2  GLU  25           HG2      GLU  25 -11.055   9.753  -8.140
  203    HG3  GLU  25           HG1      GLU  25 -10.384  10.797  -9.391
  204    H    THR  26           HN       THR  26  -8.163  10.318  -6.876
  205    HA   THR  26           HA       THR  26  -6.886  12.389  -8.266
  206    HB   THR  26           HB       THR  26  -6.470  11.512  -5.364
  207    HG1  THR  26           HG1      THR  26  -8.149  13.518  -6.487
  208   HG21  THR  26          HG21      THR  26  -5.721  13.829  -4.916
  209   HG22  THR  26          HG22      THR  26  -5.814  14.205  -6.636
  210   HG23  THR  26          HG23      THR  26  -4.631  13.031  -6.057
  211    H    SER  27           HN       SER  27  -4.871  12.538  -9.177
  212    HA   SER  27           HA       SER  27  -2.672  10.736  -8.341
  213    HB2  SER  27           HB2      SER  27  -2.133  10.355 -10.768
  214    HB3  SER  27           HB1      SER  27  -3.718   9.712 -10.333
  215    HG   SER  27           HG       SER  27  -4.685  11.244 -11.478
  216    H    ALA  28           HN       ALA  28  -0.601  11.521  -9.719
  217    HA   ALA  28           HA       ALA  28   0.165  14.141  -9.271
  218    HB1  ALA  28           HB1      ALA  28   1.974  13.781 -10.877
  219    HB2  ALA  28           HB2      ALA  28   1.129  12.378 -11.539
  220    HB3  ALA  28           HB3      ALA  28   1.733  12.344  -9.882
  221    H    ASN  29           HN       ASN  29  -1.944  13.023 -11.830
  222    HA   ASN  29           HA       ASN  29  -1.848  15.274 -13.529
  223    HB2  ASN  29           HB2      ASN  29  -2.933  13.206 -14.243
  224    HB3  ASN  29           HB1      ASN  29  -4.078  13.287 -12.910
  225   HD21  ASN  29          HD21      ASN  29  -5.848  14.694 -13.058
  226   HD22  ASN  29          HD22      ASN  29  -6.302  15.457 -14.541
  227    H    ASP  30           HN       ASP  30  -3.708  14.565 -10.566
  228    HA   ASP  30           HA       ASP  30  -5.262  17.017 -10.663
  229    HB2  ASP  30           HB2      ASP  30  -5.034  14.865  -8.501
  230    HB3  ASP  30           HB1      ASP  30  -6.212  16.181  -8.510
  231    H    ILE  31           HN       ILE  31  -2.358  15.790  -9.162
  232    HA   ILE  31           HA       ILE  31  -1.913  18.351  -7.741
  233    HB   ILE  31           HB       ILE  31  -0.688  15.639  -6.993
  234   HG12  ILE  31          HG12      ILE  31  -2.966  17.155  -5.616
  235   HG13  ILE  31          HG11      ILE  31  -3.114  15.622  -6.468
  236   HG21  ILE  31          HG21      ILE  31   0.131  16.811  -4.962
  237   HG22  ILE  31          HG22      ILE  31  -0.563  18.325  -5.547
  238   HG23  ILE  31          HG23      ILE  31   0.761  17.562  -6.432
  239   HD11  ILE  31          HD11      ILE  31  -1.572  16.092  -3.916
  240   HD12  ILE  31          HD12      ILE  31  -1.718  14.550  -4.764
  241   HD13  ILE  31          HD13      ILE  31  -3.146  15.313  -4.067
  242    H    ASP  32           HN       ASP  32  -1.038  19.256  -9.589
  243    HA   ASP  32           HA       ASP  32   0.920  18.198 -11.314
  244    HB2  ASP  32           HB2      ASP  32   0.379  21.113 -10.601
  245    HB3  ASP  32           HB1      ASP  32   1.429  20.604 -11.921
  246    H    ALA  33           HN       ALA  33   1.229  19.683  -8.198
  247    HA   ALA  33           HA       ALA  33   4.013  20.220  -8.140
  248    HB1  ALA  33           HB1      ALA  33   3.691  20.473  -5.716
  249    HB2  ALA  33           HB2      ALA  33   2.107  19.699  -5.832
  250    HB3  ALA  33           HB3      ALA  33   2.384  21.262  -6.604
  251    H    TRP  34           HN       TRP  34   2.399  17.211  -8.149
  252    HA   TRP  34           HA       TRP  34   4.085  15.792  -6.309
  253    HB2  TRP  34           HB2      TRP  34   1.662  15.174  -7.059
  254    HB3  TRP  34           HB1      TRP  34   2.412  14.459  -8.479
  255    HD1  TRP  34           HD1      TRP  34   4.803  12.868  -7.235
  256    HE1  TRP  34           HE1      TRP  34   4.418  10.911  -5.633
  257    HE3  TRP  34           HE3      TRP  34   0.037  13.940  -5.757
  258    HZ2  TRP  34           HZ2      TRP  34   2.385   9.901  -3.996
  259    HZ3  TRP  34           HZ3      TRP  34  -1.069  12.410  -4.183
  260    HH2  TRP  34           HH2      TRP  34   0.079  10.426  -3.318
  261    H    ASP  35           HN       ASP  35   6.093  15.295  -6.691
  262    HA   ASP  35           HA       ASP  35   7.120  14.460  -9.336
  263    HB2  ASP  35           HB2      ASP  35   8.655  15.803  -7.046
  264    HB3  ASP  35           HB1      ASP  35   9.350  15.282  -8.576
  265    H    SER  36           HN       SER  36   9.259  13.012  -8.792
  266    HA   SER  36           HA       SER  36   8.437  10.852  -7.083
  267    HB2  SER  36           HB2      SER  36  11.039  11.325  -8.586
  268    HB3  SER  36           HB1      SER  36  10.676   9.855  -7.670
  269    H    LEU  37           HN       LEU  37  10.323  13.697  -6.606
  270    HA   LEU  37           HA       LEU  37  11.444  12.914  -4.068
  271    HB2  LEU  37           HB2      LEU  37  11.057  15.612  -5.400
  272    HB3  LEU  37           HB1      LEU  37  11.656  15.486  -3.758
  273    HG   LEU  37           HG       LEU  37  13.522  15.813  -5.281
  274   HD11  LEU  37          HD11      LEU  37  13.545  12.972  -4.234
  275   HD12  LEU  37          HD12      LEU  37  13.948  14.426  -3.321
  276   HD13  LEU  37          HD13      LEU  37  14.957  13.936  -4.677
  277   HD21  LEU  37          HD21      LEU  37  12.669  13.287  -6.726
  278   HD22  LEU  37          HD22      LEU  37  14.137  14.220  -7.037
  279   HD23  LEU  37          HD23      LEU  37  12.559  14.937  -7.348
  280    H    SER  38           HN       SER  38   8.444  14.539  -5.118
  281    HA   SER  38           HA       SER  38   7.338  14.983  -2.541
  282    HB2  SER  38           HB2      SER  38   5.812  14.453  -5.121
  283    HB3  SER  38           HB1      SER  38   5.194  15.258  -3.676
  284    HG   SER  38           HG       SER  38   7.139  16.726  -4.161
  285    H    HIS  39           HN       HIS  39   7.221  12.206  -4.776
  286    HA   HIS  39           HA       HIS  39   5.636  10.394  -3.417
  287    HB2  HIS  39           HB2      HIS  39   8.063  10.072  -5.166
  288    HB3  HIS  39           HB1      HIS  39   7.587   8.667  -4.235
  289    HD2  HIS  39           HD2      HIS  39   7.262   9.397  -7.645
  290    HE1  HIS  39           HE1      HIS  39   3.363   8.155  -6.638
  291    HE2  HIS  39           HE2      HIS  39   5.096   8.258  -8.461
  292    H    MET  40           HN       MET  40   9.097  11.063  -2.893
  293    HA   MET  40           HA       MET  40   9.459   9.086  -0.888
  294    HB2  MET  40           HB2      MET  40  11.169  11.528  -1.507
  295    HB3  MET  40           HB1      MET  40  11.647  10.206  -0.443
  296    HG2  MET  40           HG2      MET  40  11.226  10.123  -3.435
  297    HG3  MET  40           HG1      MET  40  12.713   9.825  -2.533
  298    HE1  MET  40           HE1      MET  40  11.503   7.882  -0.125
  299    HE2  MET  40           HE2      MET  40  13.041   7.616  -0.946
  300    HE3  MET  40           HE3      MET  40  11.853   6.313  -0.852
  301    H    ASN  41           HN       ASN  41   8.901  12.600  -0.734
  302    HA   ASN  41           HA       ASN  41   9.095  12.971   2.055
  303    HB2  ASN  41           HB2      ASN  41   7.385  14.515   0.049
  304    HB3  ASN  41           HB1      ASN  41   7.754  15.061   1.683
  305   HD21  ASN  41          HD21      ASN  41   8.325  16.352  -0.836
  306   HD22  ASN  41          HD22      ASN  41  10.037  16.574  -0.901
  307    H    LEU  42           HN       LEU  42   6.284  12.336  -0.003
  308    HA   LEU  42           HA       LEU  42   4.280  12.385   1.976
  309    HB2  LEU  42           HB2      LEU  42   4.026  12.696  -0.522
  310    HB3  LEU  42           HB1      LEU  42   4.259  10.976  -0.729
  311    HG   LEU  42           HG       LEU  42   1.859  11.876  -0.876
  312   HD11  LEU  42          HD11      LEU  42   0.837   9.950   0.225
  313   HD12  LEU  42          HD12      LEU  42   2.341   9.622   1.085
  314   HD13  LEU  42          HD13      LEU  42   2.282   9.489  -0.673
  315   HD21  LEU  42          HD21      LEU  42   2.124  12.058   2.140
  316   HD22  LEU  42          HD22      LEU  42   0.643  12.256   1.203
  317   HD23  LEU  42          HD23      LEU  42   1.952  13.418   1.025
  318    H    ILE  43           HN       ILE  43   6.145   9.729   0.566
  319    HA   ILE  43           HA       ILE  43   4.648   7.629   1.776
  320    HB   ILE  43           HB       ILE  43   7.015   7.815  -0.026
  321   HG12  ILE  43          HG12      ILE  43   5.842   5.979  -1.227
  322   HG13  ILE  43          HG11      ILE  43   4.685   5.840   0.092
  323   HG21  ILE  43          HG21      ILE  43   8.104   6.476   1.682
  324   HG22  ILE  43          HG22      ILE  43   7.758   5.477   0.269
  325   HG23  ILE  43          HG23      ILE  43   6.746   5.348   1.711
  326   HD11  ILE  43          HD11      ILE  43   5.035   8.211  -1.741
  327   HD12  ILE  43          HD12      ILE  43   3.873   8.101  -0.415
  328   HD13  ILE  43          HD13      ILE  43   3.742   7.013  -1.794
  329    H    VAL  44           HN       VAL  44   7.812   9.146   2.610
  330    HA   VAL  44           HA       VAL  44   8.308   7.436   4.821
  331    HB   VAL  44           HB       VAL  44  10.003   9.032   5.565
  332   HG11  VAL  44          HG11      VAL  44  11.471   8.988   3.576
  333   HG12  VAL  44          HG12      VAL  44  10.079   8.603   2.564
  334   HG13  VAL  44          HG13      VAL  44  10.615   7.455   3.793
  335   HG21  VAL  44          HG21      VAL  44  10.450  11.155   4.373
  336   HG22  VAL  44          HG22      VAL  44   8.860  11.172   5.135
  337   HG23  VAL  44          HG23      VAL  44   8.999  10.911   3.395
  338    H    SER  45           HN       SER  45   6.457  10.398   4.455
  339    HA   SER  45           HA       SER  45   5.875  10.929   7.168
  340    HB2  SER  45           HB2      SER  45   4.161  11.438   4.703
  341    HB3  SER  45           HB1      SER  45   3.882  12.147   6.298
  342    HG   SER  45           HG       SER  45   6.388  12.424   5.048
  343    H    LEU  46           HN       LEU  46   4.315   8.778   4.794
  344    HA   LEU  46           HA       LEU  46   2.206   7.879   6.481
  345    HB2  LEU  46           HB2      LEU  46   3.516   6.461   4.127
  346    HB3  LEU  46           HB1      LEU  46   1.980   6.012   4.861
  347    HG   LEU  46           HG       LEU  46   2.535   8.620   3.387
  348   HD11  LEU  46          HD11      LEU  46   2.462   6.714   1.857
  349   HD12  LEU  46          HD12      LEU  46   1.058   7.757   1.639
  350   HD13  LEU  46          HD13      LEU  46   0.895   6.231   2.511
  351   HD21  LEU  46          HD21      LEU  46   0.120   9.037   3.572
  352   HD22  LEU  46          HD22      LEU  46   0.890   8.960   5.153
  353   HD23  LEU  46          HD23      LEU  46  -0.059   7.589   4.570
  354    H    GLU  47           HN       GLU  47   5.514   6.790   5.931
  355    HA   GLU  47           HA       GLU  47   5.325   4.304   7.293
  356    HB2  GLU  47           HB2      GLU  47   7.764   5.989   6.584
  357    HB3  GLU  47           HB1      GLU  47   7.843   4.338   7.208
  358    HG2  GLU  47           HG2      GLU  47   6.595   3.546   5.221
  359    HG3  GLU  47           HG1      GLU  47   6.556   5.188   4.589
  360    H    VAL  48           HN       VAL  48   6.545   7.526   8.328
  361    HA   VAL  48           HA       VAL  48   7.253   6.618  10.950
  362    HB   VAL  48           HB       VAL  48   7.698   8.963  11.510
  363   HG11  VAL  48          HG11      VAL  48   9.502   9.384   9.863
  364   HG12  VAL  48          HG12      VAL  48   8.783   8.191   8.776
  365   HG13  VAL  48          HG13      VAL  48   9.433   7.684  10.336
  366   HG21  VAL  48          HG21      VAL  48   5.877  10.112  10.330
  367   HG22  VAL  48          HG22      VAL  48   6.583   9.685   8.772
  368   HG23  VAL  48          HG23      VAL  48   7.432  10.798   9.851
  369    H    HIS  49           HN       HIS  49   4.409   8.378   9.676
  370    HA   HIS  49           HA       HIS  49   3.166   8.821  12.208
  371    HB2  HIS  49           HB2      HIS  49   2.137   8.947   9.355
  372    HB3  HIS  49           HB1      HIS  49   1.030   9.129  10.707
  373    HD1  HIS  49           HD1      HIS  49   0.684  11.466  11.451
  374    HD2  HIS  49           HD2      HIS  49   4.312  11.024   9.488
  375    HE1  HIS  49           HE1      HIS  49   1.639  13.782  11.282
  376    HE2  HIS  49           HE2      HIS  49   3.743  13.497   9.931
  377    H    TYR  50           HN       TYR  50   2.499   6.379   9.667
  378    HA   TYR  50           HA       TYR  50   0.470   5.071  11.332
  379    HB2  TYR  50           HB2      TYR  50   1.350   4.500   8.477
  380    HB3  TYR  50           HB1      TYR  50   0.016   3.702   9.299
  381    HD1  TYR  50           HD2      TYR  50   1.165   6.932   7.875
  382    HD2  TYR  50           HD1      TYR  50  -2.162   4.784   9.474
  383    HE1  TYR  50           HE2      TYR  50  -0.351   8.679   7.073
  384    HE2  TYR  50           HE1      TYR  50  -3.678   6.543   8.668
  385    HH   TYR  50           HH       TYR  50  -2.700   8.927   6.467
  386    H    LYS  51           HN       LYS  51   3.776   4.767  10.911
  387    HA   LYS  51           HA       LYS  51   5.352   3.296  11.559
  388    HB2  LYS  51           HB2      LYS  51   2.991   2.184  13.073
  389    HB3  LYS  51           HB1      LYS  51   4.450   1.212  13.006
  390    HG2  LYS  51           HG2      LYS  51   4.265   2.599  15.069
  391    HG3  LYS  51           HG1      LYS  51   5.736   2.903  14.141
  392    HD2  LYS  51           HD2      LYS  51   4.744   4.964  13.214
  393    HD3  LYS  51           HD1      LYS  51   3.241   4.648  14.090
  394    HE2  LYS  51           HE2      LYS  51   4.358   4.970  16.222
  395    HE3  LYS  51           HE1      LYS  51   5.936   5.073  15.435
  396    HZ1  LYS  51           HZ1      LYS  51   3.719   6.991  14.985
  397    HZ2  LYS  51           HZ2      LYS  51   5.306   7.122  14.417
  398    HZ3  LYS  51           HZ3      LYS  51   4.987   7.240  16.072
  399    H    ILE  52           HN       ILE  52   3.906   3.029   9.015
  400    HA   ILE  52           HA       ILE  52   3.993   0.139   8.418
  401    HB   ILE  52           HB       ILE  52   2.722   0.678   6.373
  402   HG12  ILE  52          HG12      ILE  52   2.832   3.590   7.308
  403   HG13  ILE  52          HG11      ILE  52   3.594   2.939   5.860
  404   HG21  ILE  52          HG21      ILE  52   1.454   1.909   8.850
  405   HG22  ILE  52          HG22      ILE  52   1.457   0.196   8.423
  406   HG23  ILE  52          HG23      ILE  52   0.581   1.349   7.418
  407   HD11  ILE  52          HD11      ILE  52   0.629   3.193   6.379
  408   HD12  ILE  52          HD12      ILE  52   1.345   2.461   4.939
  409   HD13  ILE  52          HD13      ILE  52   1.607   4.170   5.286
  410    H    LYS  53           HN       LYS  53   4.646   0.104   5.742
  411    HA   LYS  53           HA       LYS  53   7.149   1.604   5.393
  412    HB2  LYS  53           HB2      LYS  53   7.787  -0.390   6.724
  413    HB3  LYS  53           HB1      LYS  53   7.055  -1.437   5.511
  414    HG2  LYS  53           HG2      LYS  53   8.728  -0.418   3.843
  415    HG3  LYS  53           HG1      LYS  53   9.547   0.275   5.249
  416    HD2  LYS  53           HD2      LYS  53   9.911  -1.986   6.159
  417    HD3  LYS  53           HD1      LYS  53   9.022  -2.688   4.803
  418    HE2  LYS  53           HE2      LYS  53  10.770  -1.651   3.269
  419    HE3  LYS  53           HE1      LYS  53  11.700  -1.262   4.719
  420    HZ1  LYS  53           HZ1      LYS  53  12.430  -3.315   3.743
  421    HZ2  LYS  53           HZ2      LYS  53  10.876  -3.969   3.839
  422    HZ3  LYS  53           HZ3      LYS  53  11.736  -3.617   5.250
  423    H    PHE  54           HN       PHE  54   7.207   2.264   3.309
  424    HA   PHE  54           HA       PHE  54   6.225   0.458   1.163
  425    HB2  PHE  54           HB2      PHE  54   6.814   3.455   1.011
  426    HB3  PHE  54           HB1      PHE  54   6.296   2.452  -0.336
  427    HD1  PHE  54           HD1      PHE  54   5.205   3.708   3.016
  428    HD2  PHE  54           HD2      PHE  54   3.964   2.137  -0.777
  429    HE1  PHE  54           HE1      PHE  54   2.865   4.210   3.556
  430    HE2  PHE  54           HE2      PHE  54   1.634   2.651  -0.211
  431    HZ   PHE  54           HZ       PHE  54   1.081   3.681   1.948
  432    H    ALA  55           HN       ALA  55   7.646  -0.364  -0.213
  433    HA   ALA  55           HA       ALA  55  10.498   0.395  -0.193
  434    HB1  ALA  55           HB1      ALA  55   9.071  -1.985  -1.465
  435    HB2  ALA  55           HB2      ALA  55   9.999  -2.018   0.035
  436    HB3  ALA  55           HB3      ALA  55  10.813  -1.697  -1.495
  437    H    LEU  56           HN       LEU  56  11.491   0.629  -2.436
  438    HA   LEU  56           HA       LEU  56  10.134   2.491  -4.067
  439    HB2  LEU  56           HB2      LEU  56  12.633   2.186  -3.876
  440    HB3  LEU  56           HB1      LEU  56  12.516   0.712  -4.809
  441    HG   LEU  56           HG       LEU  56  13.384   2.830  -6.001
  442   HD11  LEU  56          HD11      LEU  56  12.782   0.842  -7.267
  443   HD12  LEU  56          HD12      LEU  56  12.360   2.307  -8.149
  444   HD13  LEU  56          HD13      LEU  56  11.100   1.372  -7.341
  445   HD21  LEU  56          HD21      LEU  56  11.754   4.411  -6.899
  446   HD22  LEU  56          HD22      LEU  56  11.733   4.428  -5.137
  447   HD23  LEU  56          HD23      LEU  56  10.450   3.602  -6.026
  448    H    GLY  57           HN       GLY  57  10.245  -1.042  -4.162
  449    HA2  GLY  57           HA2      GLY  57   8.977  -1.560  -6.622
  450    HA3  GLY  57           HA1      GLY  57   8.888  -2.576  -5.194
  451    H    GLU  58           HN       GLU  58   7.590  -0.831  -3.423
  452    HA   GLU  58           HA       GLU  58   4.844  -1.009  -4.156
  453    HB2  GLU  58           HB2      GLU  58   6.125   0.629  -1.923
  454    HB3  GLU  58           HB1      GLU  58   4.407   0.254  -2.057
  455    HG2  GLU  58           HG2      GLU  58   6.594  -1.835  -1.740
  456    HG3  GLU  58           HG1      GLU  58   5.694  -1.135  -0.396
  457    H    LEU  59           HN       LEU  59   7.207   1.637  -4.134
  458    HA   LEU  59           HA       LEU  59   5.559   3.804  -4.817
  459    HB2  LEU  59           HB2      LEU  59   8.504   3.215  -5.040
  460    HB3  LEU  59           HB1      LEU  59   7.897   4.625  -5.872
  461    HG   LEU  59           HG       LEU  59   8.904   5.120  -3.633
  462   HD11  LEU  59          HD11      LEU  59   7.174   6.657  -2.886
  463   HD12  LEU  59          HD12      LEU  59   5.976   5.817  -3.872
  464   HD13  LEU  59          HD13      LEU  59   7.321   6.659  -4.643
  465   HD21  LEU  59          HD21      LEU  59   8.157   3.123  -2.400
  466   HD22  LEU  59          HD22      LEU  59   6.486   3.693  -2.469
  467   HD23  LEU  59          HD23      LEU  59   7.703   4.610  -1.573
  468    H    GLN  60           HN       GLN  60   7.261   1.470  -6.894
  469    HA   GLN  60           HA       GLN  60   6.499   2.441  -9.413
  470    HB2  GLN  60           HB2      GLN  60   6.936  -0.440  -8.534
  471    HB3  GLN  60           HB1      GLN  60   6.840   0.085 -10.210
  472    HG2  GLN  60           HG2      GLN  60   8.954   1.018  -8.250
  473    HG3  GLN  60           HG1      GLN  60   9.155  -0.337  -9.353
  474   HE21  GLN  60          HE21      GLN  60  10.920   0.645 -10.361
  475   HE22  GLN  60          HE22      GLN  60  10.758   2.000 -11.416
  476    H    LYS  61           HN       LYS  61   4.717   0.461  -7.086
  477    HA   LYS  61           HA       LYS  61   2.487  -0.123  -8.839
  478    HB2  LYS  61           HB2      LYS  61   2.766  -0.419  -5.814
  479    HB3  LYS  61           HB1      LYS  61   1.415  -1.036  -6.760
  480    HG2  LYS  61           HG2      LYS  61   4.311  -1.921  -7.034
  481    HG3  LYS  61           HG1      LYS  61   3.053  -2.803  -6.166
  482    HD2  LYS  61           HD2      LYS  61   3.005  -2.185  -9.154
  483    HD3  LYS  61           HD1      LYS  61   3.519  -3.721  -8.453
  484    HE2  LYS  61           HE2      LYS  61   1.258  -4.085  -7.552
  485    HE3  LYS  61           HE1      LYS  61   0.739  -2.516  -8.173
  486    HZ1  LYS  61           HZ1      LYS  61   1.700  -4.768  -9.840
  487    HZ2  LYS  61           HZ2      LYS  61   1.098  -3.295 -10.399
  488    HZ3  LYS  61           HZ3      LYS  61   0.079  -4.372  -9.589
  489    H    LEU  62           HN       LEU  62   3.416   2.645  -7.042
  490    HA   LEU  62           HA       LEU  62   0.708   3.602  -6.471
  491    HB2  LEU  62           HB2      LEU  62   3.394   4.975  -6.037
  492    HB3  LEU  62           HB1      LEU  62   1.837   5.553  -5.454
  493    HG   LEU  62           HG       LEU  62   3.227   3.005  -4.559
  494   HD11  LEU  62          HD11      LEU  62   4.371   4.979  -3.728
  495   HD12  LEU  62          HD12      LEU  62   3.565   4.121  -2.417
  496   HD13  LEU  62          HD13      LEU  62   2.857   5.605  -3.067
  497   HD21  LEU  62          HD21      LEU  62   0.808   2.705  -4.473
  498   HD22  LEU  62          HD22      LEU  62   0.628   4.201  -3.552
  499   HD23  LEU  62          HD23      LEU  62   1.470   2.819  -2.844
  500    H    LYS  63           HN       LYS  63  -0.199   3.925  -8.457
  501    HA   LYS  63           HA       LYS  63   0.982   5.878 -10.335
  502    HB2  LYS  63           HB2      LYS  63   0.298   3.790 -11.352
  503    HB3  LYS  63           HB1      LYS  63  -1.259   3.820 -10.558
  504    HG2  LYS  63           HG2      LYS  63  -0.628   6.006 -12.522
  505    HG3  LYS  63           HG1      LYS  63  -0.970   4.396 -13.149
  506    HD2  LYS  63           HD2      LYS  63  -2.852   5.968 -11.327
  507    HD3  LYS  63           HD1      LYS  63  -2.969   5.935 -13.085
  508    HE2  LYS  63           HE2      LYS  63  -4.594   4.388 -12.236
  509    HE3  LYS  63           HE1      LYS  63  -3.295   3.422 -12.924
  510    HZ1  LYS  63           HZ1      LYS  63  -4.116   2.582 -10.790
  511    HZ2  LYS  63           HZ2      LYS  63  -3.618   4.007 -10.025
  512    HZ3  LYS  63           HZ3      LYS  63  -2.477   2.977 -10.725
  513    H    ASN  64           HN       ASN  64  -1.371   5.611  -7.812
  514    HA   ASN  64           HA       ASN  64  -1.823   8.427  -7.932
  515    HB2  ASN  64           HB2      ASN  64  -4.195   8.501  -8.373
  516    HB3  ASN  64           HB1      ASN  64  -3.457   7.593  -9.678
  517   HD21  ASN  64          HD21      ASN  64  -5.911   7.638  -7.418
  518   HD22  ASN  64          HD22      ASN  64  -6.447   6.003  -7.588
  519    H    VAL  65           HN       VAL  65  -3.566   9.036  -6.229
  520    HA   VAL  65           HA       VAL  65  -2.755   8.189  -3.666
  521    HB   VAL  65           HB       VAL  65  -5.266   9.757  -4.425
  522   HG11  VAL  65          HG11      VAL  65  -5.171  10.707  -2.134
  523   HG12  VAL  65          HG12      VAL  65  -3.813   9.648  -1.752
  524   HG13  VAL  65          HG13      VAL  65  -5.397   8.957  -2.101
  525   HG21  VAL  65          HG21      VAL  65  -3.251  10.832  -5.340
  526   HG22  VAL  65          HG22      VAL  65  -2.492  10.810  -3.747
  527   HG23  VAL  65          HG23      VAL  65  -3.926  11.800  -4.027
  528    H    GLY  66           HN       GLY  66  -5.234   6.992  -5.770
  529    HA2  GLY  66           HA2      GLY  66  -6.822   5.516  -3.915
  530    HA3  GLY  66           HA1      GLY  66  -6.695   5.229  -5.647
  531    H    ASP  67           HN       ASP  67  -3.851   4.810  -5.737
  532    HA   ASP  67           HA       ASP  67  -3.548   2.126  -4.854
  533    HB2  ASP  67           HB2      ASP  67  -1.443   4.130  -5.781
  534    HB3  ASP  67           HB1      ASP  67  -1.112   2.427  -5.456
  535    H    LEU  68           HN       LEU  68  -2.396   5.277  -3.521
  536    HA   LEU  68           HA       LEU  68  -1.105   4.217  -1.243
  537    HB2  LEU  68           HB2      LEU  68  -2.386   6.919  -1.741
  538    HB3  LEU  68           HB1      LEU  68  -1.788   6.519  -0.147
  539    HG   LEU  68           HG       LEU  68  -0.068   7.785  -1.127
  540   HD11  LEU  68          HD11      LEU  68   1.849   6.301  -1.291
  541   HD12  LEU  68          HD12      LEU  68   0.782   4.912  -1.499
  542   HD13  LEU  68          HD13      LEU  68   0.772   5.811   0.018
  543   HD21  LEU  68          HD21      LEU  68  -0.241   6.097  -3.649
  544   HD22  LEU  68          HD22      LEU  68   0.902   7.411  -3.361
  545   HD23  LEU  68          HD23      LEU  68  -0.822   7.754  -3.465
  546    H    ALA  69           HN       ALA  69  -4.524   4.947  -1.837
  547    HA   ALA  69           HA       ALA  69  -5.520   4.635   0.778
  548    HB1  ALA  69           HB1      ALA  69  -7.719   4.281  -0.290
  549    HB2  ALA  69           HB2      ALA  69  -6.929   4.047  -1.853
  550    HB3  ALA  69           HB3      ALA  69  -6.855   5.618  -1.054
  551    H    ASP  70           HN       ASP  70  -5.078   2.325  -1.879
  552    HA   ASP  70           HA       ASP  70  -6.008   0.003  -0.578
  553    HB2  ASP  70           HB2      ASP  70  -5.780   0.068  -3.007
  554    HB3  ASP  70           HB1      ASP  70  -4.042   0.327  -2.886
  555    H    LEU  71           HN       LEU  71  -2.651   1.156  -1.078
  556    HA   LEU  71           HA       LEU  71  -1.441  -1.071   0.153
  557    HB2  LEU  71           HB2      LEU  71  -0.389   1.590  -0.786
  558    HB3  LEU  71           HB1      LEU  71   0.621   0.651   0.285
  559    HG   LEU  71           HG       LEU  71   1.415   0.119  -1.862
  560   HD11  LEU  71          HD11      LEU  71   0.959  -2.239  -2.192
  561   HD12  LEU  71          HD12      LEU  71  -0.476  -2.137  -1.170
  562   HD13  LEU  71          HD13      LEU  71   1.128  -1.865  -0.480
  563   HD21  LEU  71          HD21      LEU  71   0.047  -0.555  -3.783
  564   HD22  LEU  71          HD22      LEU  71  -0.350   1.065  -3.222
  565   HD23  LEU  71          HD23      LEU  71  -1.425  -0.282  -2.838
  566    H    VAL  72           HN       VAL  72  -1.982   2.259   1.409
  567    HA   VAL  72           HA       VAL  72  -0.883   1.920   3.947
  568    HB   VAL  72           HB       VAL  72  -3.204   3.738   3.127
  569   HG11  VAL  72          HG11      VAL  72  -1.528   3.862   5.671
  570   HG12  VAL  72          HG12      VAL  72  -3.237   3.438   5.576
  571   HG13  VAL  72          HG13      VAL  72  -2.715   5.071   5.168
  572   HG21  VAL  72          HG21      VAL  72  -1.483   5.535   3.024
  573   HG22  VAL  72          HG22      VAL  72  -1.105   4.231   1.900
  574   HG23  VAL  72          HG23      VAL  72  -0.229   4.358   3.428
  575    H    ASP  73           HN       ASP  73  -4.196   1.129   2.770
  576    HA   ASP  73           HA       ASP  73  -5.297   0.423   5.307
  577    HB2  ASP  73           HB2      ASP  73  -6.629   0.882   3.173
  578    HB3  ASP  73           HB1      ASP  73  -6.166  -0.719   2.612
  579    H    LYS  74           HN       LYS  74  -3.622  -1.410   2.857
  580    HA   LYS  74           HA       LYS  74  -3.992  -4.016   3.985
  581    HB2  LYS  74           HB2      LYS  74  -1.884  -3.060   2.002
  582    HB3  LYS  74           HB1      LYS  74  -2.134  -4.744   2.453
  583    HG2  LYS  74           HG2      LYS  74  -4.046  -2.946   0.926
  584    HG3  LYS  74           HG1      LYS  74  -3.201  -4.376   0.329
  585    HD2  LYS  74           HD2      LYS  74  -5.401  -4.340   2.441
  586    HD3  LYS  74           HD1      LYS  74  -5.587  -4.854   0.764
  587    HE2  LYS  74           HE2      LYS  74  -4.191  -6.795   1.134
  588    HE3  LYS  74           HE1      LYS  74  -3.710  -6.219   2.730
  589    HZ1  LYS  74           HZ1      LYS  74  -5.370  -7.924   2.910
  590    HZ2  LYS  74           HZ2      LYS  74  -6.438  -7.051   1.931
  591    HZ3  LYS  74           HZ3      LYS  74  -6.004  -6.452   3.451
  592    H    LYS  75           HN       LYS  75  -1.498  -1.563   4.315
  593    HA   LYS  75           HA       LYS  75   0.287  -3.173   5.889
  594    HB2  LYS  75           HB2      LYS  75   0.209  -0.187   5.314
  595    HB3  LYS  75           HB1      LYS  75   1.524  -1.012   6.151
  596    HG2  LYS  75           HG2      LYS  75   2.079  -2.289   4.177
  597    HG3  LYS  75           HG1      LYS  75   0.655  -1.685   3.323
  598    HD2  LYS  75           HD2      LYS  75   1.642   0.642   3.485
  599    HD3  LYS  75           HD1      LYS  75   3.102  -0.082   4.170
  600    HE2  LYS  75           HE2      LYS  75   1.958  -0.624   1.403
  601    HE3  LYS  75           HE1      LYS  75   3.394   0.334   1.775
  602    HZ1  LYS  75           HZ1      LYS  75   3.056  -2.571   2.258
  603    HZ2  LYS  75           HZ2      LYS  75   4.417  -1.672   2.691
  604    HZ3  LYS  75           HZ3      LYS  75   4.009  -1.858   1.061
  605    H    LEU  76           HN       LEU  76  -2.366  -0.934   6.525
  606    HA   LEU  76           HA       LEU  76  -1.927  -0.774   9.377
  607    HB2  LEU  76           HB2      LEU  76  -4.321  -0.026   7.661
  608    HB3  LEU  76           HB1      LEU  76  -4.320   0.136   9.414
  609    HG   LEU  76           HG       LEU  76  -2.512   1.626   7.466
  610   HD11  LEU  76          HD11      LEU  76  -4.755   2.637   9.242
  611   HD12  LEU  76          HD12      LEU  76  -4.797   2.478   7.483
  612   HD13  LEU  76          HD13      LEU  76  -3.700   3.633   8.233
  613   HD21  LEU  76          HD21      LEU  76  -1.634   2.843   9.430
  614   HD22  LEU  76          HD22      LEU  76  -1.246   1.128   9.509
  615   HD23  LEU  76          HD23      LEU  76  -2.549   1.782  10.507
  616    H    ALA  77           HN       ALA  77  -3.642  -2.918   7.210
  617    HA   ALA  77           HA       ALA  77  -4.952  -4.516   9.166
  618    HB1  ALA  77           HB1      ALA  77  -5.023  -6.274   7.435
  619    HB2  ALA  77           HB2      ALA  77  -3.873  -5.361   6.451
  620    HB3  ALA  77           HB3      ALA  77  -5.479  -4.706   6.771
  621    H    ARG  78           HN       ARG  78  -1.662  -4.511   7.861
  622    HA   ARG  78           HA       ARG  78  -0.698  -6.757   9.385
  623    HB2  ARG  78           HB2      ARG  78   0.927  -4.465   8.191
  624    HB3  ARG  78           HB1      ARG  78   1.546  -6.037   8.694
  625    HG2  ARG  78           HG2      ARG  78  -0.249  -5.430   6.323
  626    HG3  ARG  78           HG1      ARG  78   1.423  -5.991   6.291
  627    HD2  ARG  78           HD2      ARG  78  -0.981  -7.579   7.275
  628    HD3  ARG  78           HD1      ARG  78  -0.125  -7.816   5.747
  629    HE   ARG  78           HE       ARG  78   1.859  -8.171   7.494
  630   HH11  ARG  78          HH11      ARG  78  -1.394  -9.497   7.589
  631   HH12  ARG  78          HH12      ARG  78  -0.887 -10.962   8.362
  632   HH21  ARG  78          HH21      ARG  78   2.500 -10.087   8.489
  633   HH22  ARG  78          HH22      ARG  78   1.318 -11.294   8.883
  634    H    LYS  79           HN       LYS  79  -0.925  -3.261   9.920
  635    HA   LYS  79           HA       LYS  79   0.541  -3.281  12.426
  636    HB2  LYS  79           HB2      LYS  79  -1.022  -1.085  11.014
  637    HB3  LYS  79           HB1      LYS  79  -0.181  -0.848  12.545
  638    HG2  LYS  79           HG2      LYS  79   1.141  -1.681   9.952
  639    HG3  LYS  79           HG1      LYS  79   1.073  -0.031  10.558
  640    HD2  LYS  79           HD2      LYS  79   2.960  -0.379  11.767
  641    HD3  LYS  79           HD1      LYS  79   2.181  -1.672  12.666
  642    HE2  LYS  79           HE2      LYS  79   3.529  -2.086   9.979
  643    HE3  LYS  79           HE1      LYS  79   4.350  -2.304  11.525
  644    HZ1  LYS  79           HZ1      LYS  79   1.932  -3.795  10.661
  645    HZ2  LYS  79           HZ2      LYS  79   2.813  -4.049  12.083
  646    HZ3  LYS  79           HZ3      LYS  79   3.514  -4.380  10.578
  647    H    LEU  80           HN       LEU  80  -2.645  -4.041  11.532
  648    HA   LEU  80           HA       LEU  80  -4.136  -3.179  13.773
  649    HB2  LEU  80           HB2      LEU  80  -4.889  -4.340  11.489
  650    HB3  LEU  80           HB1      LEU  80  -4.700  -5.831  12.385
  651    HG   LEU  80           HG       LEU  80  -7.058  -5.081  12.297
  652   HD11  LEU  80          HD11      LEU  80  -6.389  -6.417  14.231
  653   HD12  LEU  80          HD12      LEU  80  -7.656  -5.269  14.648
  654   HD13  LEU  80          HD13      LEU  80  -5.987  -4.948  15.124
  655   HD21  LEU  80          HD21      LEU  80  -7.827  -3.061  13.458
  656   HD22  LEU  80          HD22      LEU  80  -6.694  -2.654  12.171
  657   HD23  LEU  80          HD23      LEU  80  -6.159  -2.632  13.853
  658    H    GLU  81           HN       GLU  81  -4.071  -3.880  15.845
  659    HA   GLU  81           HA       GLU  81  -1.710  -4.940  16.789
  660    HB2  GLU  81           HB2      GLU  81  -3.711  -3.520  17.923
  661    HB3  GLU  81           HB1      GLU  81  -4.149  -5.091  18.570
  662    HG2  GLU  81           HG2      GLU  81  -1.485  -3.680  18.968
  663    HG3  GLU  81           HG1      GLU  81  -2.800  -3.760  20.141
  664    H    HIS  82           HN       HIS  82  -1.039  -6.872  17.612
  665    HA   HIS  82           HA       HIS  82  -1.699  -9.144  16.148
  666    HB2  HIS  82           HB2      HIS  82  -0.134  -8.974  18.757
  667    HB3  HIS  82           HB1      HIS  82  -0.106 -10.342  17.642
  668    HD1  HIS  82           HD1      HIS  82   1.458  -7.087  18.292
  669    HD2  HIS  82           HD2      HIS  82   1.117  -9.709  15.083
  670    HE1  HIS  82           HE1      HIS  82   3.238  -6.401  16.666
  671    HE2  HIS  82           HE2      HIS  82   2.910  -7.894  14.670
  672    H    HIS  83           HN       HIS  83  -2.706  -8.249  19.431
  673    HA   HIS  83           HA       HIS  83  -4.103 -10.729  19.944
  674    HB2  HIS  83           HB2      HIS  83  -4.366  -8.019  21.331
  675    HB3  HIS  83           HB1      HIS  83  -5.027  -9.544  21.923
  676    HD1  HIS  83           HD1      HIS  83  -2.236  -7.411  22.407
  677    HD2  HIS  83           HD2      HIS  83  -2.736 -11.524  22.278
  678    HE1  HIS  83           HE1      HIS  83  -0.223  -8.356  23.556
  679    HE2  HIS  83           HE2      HIS  83  -0.646 -10.838  23.642
  680    H    HIS  84           HN       HIS  84  -5.963 -11.265  18.950
  681    HA   HIS  84           HA       HIS  84  -7.489  -9.423  17.374
  682    HB2  HIS  84           HB2      HIS  84  -7.252 -11.828  16.744
  683    HB3  HIS  84           HB1      HIS  84  -8.199 -12.287  18.156
  684    HD1  HIS  84           HD1      HIS  84 -10.685 -12.466  17.777
  685    HD2  HIS  84           HD2      HIS  84  -8.838 -10.135  14.868
  686    HE1  HIS  84           HE1      HIS  84 -12.499 -11.859  16.150
  687    HE2  HIS  84           HE2      HIS  84 -11.364 -10.456  14.393
  688    H    HIS  85           HN       HIS  85  -7.590 -10.361  20.670
  689    HA   HIS  85           HA       HIS  85 -10.326  -9.826  21.284
  690    HB2  HIS  85           HB2      HIS  85  -8.842 -11.239  22.696
  691    HB3  HIS  85           HB1      HIS  85  -7.869  -9.830  23.094
  692    HD1  HIS  85           HD1      HIS  85  -8.603  -8.486  25.086
  693    HD2  HIS  85           HD2      HIS  85 -11.532 -11.134  23.796
  694    HE1  HIS  85           HE1      HIS  85 -10.418  -8.382  26.819
  695    HE2  HIS  85           HE2      HIS  85 -12.244  -9.854  25.924
  696    H    HIS  86           HN       HIS  86 -10.554  -7.849  20.075
  697    HA   HIS  86           HA       HIS  86 -10.406  -5.455  21.694
  698    HB2  HIS  86           HB2      HIS  86  -8.988  -5.549  18.988
  699    HB3  HIS  86           HB1      HIS  86  -9.457  -4.052  19.780
  700    HD1  HIS  86           HD1      HIS  86  -6.731  -6.411  19.527
  701    HD2  HIS  86           HD2      HIS  86  -8.027  -3.635  22.323
  702    HE1  HIS  86           HE1      HIS  86  -4.766  -6.017  21.036
  703    HE2  HIS  86           HE2      HIS  86  -5.516  -4.186  22.586
  704    H    HIS  87           HN       HIS  87 -11.660  -3.653  20.550
  705    HA   HIS  87           HA       HIS  87 -14.058  -4.749  19.308
  706    HB2  HIS  87           HB2      HIS  87 -13.358  -1.896  20.141
  707    HB3  HIS  87           HB1      HIS  87 -14.916  -2.382  19.479
  708    HD1  HIS  87           HD1      HIS  87 -16.564  -3.481  21.055
  709    HD2  HIS  87           HD2      HIS  87 -12.833  -2.883  22.787
  710    HE1  HIS  87           HE1      HIS  87 -16.882  -3.936  23.500
  711    HE2  HIS  87           HE2      HIS  87 -14.573  -3.772  24.487
  712   H282  PNS  88          H282      PNS  88   7.312  11.853 -10.048
  713   H281  PNS  88          H281      PNS  88   7.483  12.500 -11.687
  714   H303  PNS  88          H303      PNS  88   5.060  13.190 -11.814
  715   H302  PNS  88          H302      PNS  88   3.785  12.037 -11.405
  716   H301  PNS  88          H301      PNS  88   4.852  12.649 -10.140
  717   H313  PNS  88          H313      PNS  88   4.346   9.750 -10.614
  718   H312  PNS  88          H312      PNS  88   6.004   9.141 -10.680
  719   H311  PNS  88          H311      PNS  88   5.544  10.320  -9.447
  720    H32  PNS  88           H32      PNS  88   6.164  11.462 -13.593
  721    H33  PNS  88           H33      PNS  88   7.380   9.708 -13.335
  722    H36  PNS  88           H36      PNS  88   4.041   8.904 -12.204
  723   H372  PNS  88          H372      PNS  88   1.667   9.917 -13.553
  724   H371  PNS  88          H371      PNS  88   2.296   8.382 -14.166
  725   H382  PNS  88          H382      PNS  88   0.566   7.900 -12.555
  726   H381  PNS  88          H381      PNS  88   2.118   7.438 -11.855
  727    H41  PNS  88           H41      PNS  88   2.784   8.417  -9.928
  728   H422  PNS  88          H422      PNS  88   2.790   9.792  -8.073
  729   H421  PNS  88          H421      PNS  88   1.770  10.927  -8.945
  730   H431  PNS  88          H431      PNS  88  -0.171   9.366  -8.436
  731   H432  PNS  88          H432      PNS  88   0.515  10.217  -7.050
  732    H44  PNS  88           H44      PNS  88   2.071   7.345  -7.451
  Start of MODEL   17
    1    H1   MET   1           HT1      MET   1 -10.514   1.311   4.797
    2    H2   MET   1           HT2      MET   1 -10.713   0.026   5.877
    3    H3   MET   1           HT3      MET   1  -9.525   1.192   6.160
    4    HA   MET   1           HA       MET   1 -12.426   1.688   6.096
    5    HB2  MET   1           HB2      MET   1 -10.573   1.389   8.493
    6    HB3  MET   1           HB1      MET   1 -12.219   2.005   8.599
    7    HG2  MET   1           HG2      MET   1 -13.118  -0.118   7.883
    8    HG3  MET   1           HG1      MET   1 -11.498  -0.745   7.557
    9    HE1  MET   1           HE1      MET   1 -12.684  -2.785  10.732
   10    HE2  MET   1           HE2      MET   1 -12.150  -2.905   9.056
   11    HE3  MET   1           HE3      MET   1 -13.728  -2.211   9.431
   12    HA   PRO   2           HA       PRO   2 -10.431   5.944   6.949
   13    HB2  PRO   2           HB2      PRO   2  -8.098   6.302   8.175
   14    HB3  PRO   2           HB1      PRO   2  -9.407   5.493   9.049
   15    HG2  PRO   2           HG2      PRO   2  -6.946   4.317   7.803
   16    HG3  PRO   2           HG1      PRO   2  -7.804   3.832   9.281
   17    HD2  PRO   2           HD2      PRO   2  -8.106   2.711   6.641
   18    HD3  PRO   2           HD1      PRO   2  -9.033   2.299   8.096
   19    H    THR   3           HN       THR   3  -9.935   4.616   4.473
   20    HA   THR   3           HA       THR   3  -7.323   4.556   3.542
   21    HB   THR   3           HB       THR   3  -8.564   4.518   1.192
   22    HG1  THR   3           HG1      THR   3 -10.817   3.706   1.736
   23   HG21  THR   3          HG21      THR   3  -9.075   2.347   3.265
   24   HG22  THR   3          HG22      THR   3  -7.584   2.527   2.328
   25   HG23  THR   3          HG23      THR   3  -9.107   2.146   1.510
   26    H    LEU   4           HN       LEU   4  -9.662   6.858   2.014
   27    HA   LEU   4           HA       LEU   4  -7.501   8.657   1.296
   28    HB2  LEU   4           HB2      LEU   4 -10.512   9.045   1.095
   29    HB3  LEU   4           HB1      LEU   4  -9.312  10.132   0.409
   30    HG   LEU   4           HG       LEU   4  -9.814   7.253  -0.447
   31   HD11  LEU   4          HD11      LEU   4 -11.591   8.755  -1.158
   32   HD12  LEU   4          HD12      LEU   4 -10.631   8.244  -2.542
   33   HD13  LEU   4          HD13      LEU   4 -10.414   9.861  -1.871
   34   HD21  LEU   4          HD21      LEU   4  -7.437   7.771  -0.680
   35   HD22  LEU   4          HD22      LEU   4  -7.813   9.257  -1.557
   36   HD23  LEU   4          HD23      LEU   4  -8.195   7.686  -2.269
   37    H    ASP   5           HN       ASP   5  -9.969   8.452   3.752
   38    HA   ASP   5           HA       ASP   5 -10.292  11.019   4.697
   39    HB2  ASP   5           HB2      ASP   5 -10.219   8.637   6.589
   40    HB3  ASP   5           HB1      ASP   5 -11.214  10.086   6.712
   41    H    ALA   6           HN       ALA   6  -8.002   8.624   5.937
   42    HA   ALA   6           HA       ALA   6  -6.847  10.370   7.934
   43    HB1  ALA   6           HB1      ALA   6  -5.960   7.613   6.998
   44    HB2  ALA   6           HB2      ALA   6  -7.048   7.944   8.346
   45    HB3  ALA   6           HB3      ALA   6  -5.362   8.456   8.430
   46    H    LEU   7           HN       LEU   7  -6.199   9.546   4.612
   47    HA   LEU   7           HA       LEU   7  -3.440  10.387   4.598
   48    HB2  LEU   7           HB2      LEU   7  -5.342   9.812   2.297
   49    HB3  LEU   7           HB1      LEU   7  -3.649  10.234   2.092
   50    HG   LEU   7           HG       LEU   7  -4.804   7.694   3.265
   51   HD11  LEU   7          HD11      LEU   7  -3.483   6.592   1.525
   52   HD12  LEU   7          HD12      LEU   7  -2.894   8.158   0.957
   53   HD13  LEU   7          HD13      LEU   7  -4.611   7.758   0.837
   54   HD21  LEU   7          HD21      LEU   7  -2.502   6.950   3.781
   55   HD22  LEU   7          HD22      LEU   7  -3.032   8.290   4.791
   56   HD23  LEU   7          HD23      LEU   7  -1.916   8.585   3.455
   57    H    THR   8           HN       THR   8  -6.525  12.035   4.144
   58    HA   THR   8           HA       THR   8  -5.684  14.091   2.438
   59    HB   THR   8           HB       THR   8  -7.896  14.379   4.519
   60    HG1  THR   8           HG1      THR   8  -8.334  12.567   3.289
   61   HG21  THR   8          HG21      THR   8  -7.481  15.758   1.826
   62   HG22  THR   8          HG22      THR   8  -7.296  16.526   3.407
   63   HG23  THR   8          HG23      THR   8  -8.881  15.959   2.875
   64    HA   PRO   9           HA       PRO   9  -4.372  16.811   6.333
   65    HB2  PRO   9           HB2      PRO   9  -3.808  14.738   8.427
   66    HB3  PRO   9           HB1      PRO   9  -4.573  16.326   8.595
   67    HG2  PRO   9           HG2      PRO   9  -6.037  14.082   8.740
   68    HG3  PRO   9           HG1      PRO   9  -6.676  15.530   7.929
   69    HD2  PRO   9           HD2      PRO   9  -5.444  13.054   6.690
   70    HD3  PRO   9           HD1      PRO   9  -6.917  13.934   6.215
   71    H    ILE  10           HN       ILE  10  -3.063  13.570   5.713
   72    HA   ILE  10           HA       ILE  10  -0.322  14.075   6.330
   73    HB   ILE  10           HB       ILE  10  -1.483  12.047   4.349
   74   HG12  ILE  10          HG12      ILE  10  -2.201  11.664   6.713
   75   HG13  ILE  10          HG11      ILE  10  -1.199  10.354   6.106
   76   HG21  ILE  10          HG21      ILE  10   1.363  12.222   5.431
   77   HG22  ILE  10          HG22      ILE  10   0.847  12.474   3.763
   78   HG23  ILE  10          HG23      ILE  10   0.715  10.879   4.488
   79   HD11  ILE  10          HD11      ILE  10  -0.299  12.562   7.957
   80   HD12  ILE  10          HD12      ILE  10   0.712  11.247   7.349
   81   HD13  ILE  10          HD13      ILE  10  -0.657  10.893   8.400
   82    H    PHE  11           HN       PHE  11  -2.115  14.068   3.245
   83    HA   PHE  11           HA       PHE  11   0.105  14.725   1.602
   84    HB2  PHE  11           HB2      PHE  11  -2.900  14.649   1.105
   85    HB3  PHE  11           HB1      PHE  11  -1.776  15.167  -0.145
   86    HD1  PHE  11           HD2      PHE  11  -1.755  12.301   2.326
   87    HD2  PHE  11           HD1      PHE  11  -1.545  13.494  -1.773
   88    HE1  PHE  11           HE2      PHE  11  -1.439   9.962   1.660
   89    HE2  PHE  11           HE1      PHE  11  -1.224  11.147  -2.421
   90    HZ   PHE  11           HZ       PHE  11  -1.170   9.381  -0.718
   91    H    ARG  12           HN       ARG  12  -2.607  16.638   2.928
   92    HA   ARG  12           HA       ARG  12  -1.960  19.124   1.785
   93    HB2  ARG  12           HB2      ARG  12  -3.410  18.383   4.342
   94    HB3  ARG  12           HB1      ARG  12  -3.146  20.072   3.915
   95    HG2  ARG  12           HG2      ARG  12  -4.383  19.725   1.792
   96    HG3  ARG  12           HG1      ARG  12  -4.669  18.041   2.239
   97    HD2  ARG  12           HD2      ARG  12  -6.042  18.710   4.122
   98    HD3  ARG  12           HD1      ARG  12  -5.621  20.411   3.890
   99    HE   ARG  12           HE       ARG  12  -6.735  19.903   1.548
  100   HH11  ARG  12          HH11      ARG  12  -7.930  18.875   4.693
  101   HH12  ARG  12          HH12      ARG  12  -9.590  18.990   4.214
  102   HH21  ARG  12          HH21      ARG  12  -8.904  20.020   0.949
  103   HH22  ARG  12          HH22      ARG  12 -10.143  19.646   2.104
  104    H    GLN  13           HN       GLN  13  -0.642  17.529   4.678
  105    HA   GLN  13           HA       GLN  13   0.943  19.737   5.558
  106    HB2  GLN  13           HB2      GLN  13   0.313  17.938   7.107
  107    HB3  GLN  13           HB1      GLN  13   1.183  16.759   6.134
  108    HG2  GLN  13           HG2      GLN  13   2.527  17.212   8.042
  109    HG3  GLN  13           HG1      GLN  13   3.310  17.989   6.674
  110   HE21  GLN  13          HE21      GLN  13   3.699  18.551   9.467
  111   HE22  GLN  13          HE22      GLN  13   3.262  20.198   9.737
  112    H    VAL  14           HN       VAL  14   1.762  16.760   3.761
  113    HA   VAL  14           HA       VAL  14   4.487  17.053   3.411
  114    HB   VAL  14           HB       VAL  14   2.438  15.720   1.587
  115   HG11  VAL  14          HG11      VAL  14   4.314  14.468   0.544
  116   HG12  VAL  14          HG12      VAL  14   5.472  15.444   1.448
  117   HG13  VAL  14          HG13      VAL  14   4.442  16.199   0.231
  118   HG21  VAL  14          HG21      VAL  14   4.331  14.546   3.661
  119   HG22  VAL  14          HG22      VAL  14   3.209  13.628   2.654
  120   HG23  VAL  14          HG23      VAL  14   2.591  14.765   3.853
  121    H    PHE  15           HN       PHE  15   1.927  18.078   1.158
  122    HA   PHE  15           HA       PHE  15   3.834  19.303  -0.655
  123    HB2  PHE  15           HB2      PHE  15   0.787  19.268  -0.822
  124    HB3  PHE  15           HB1      PHE  15   1.898  19.693  -2.123
  125    HD1  PHE  15           HD2      PHE  15   3.740  17.779  -2.637
  126    HD2  PHE  15           HD1      PHE  15  -0.063  17.079  -0.845
  127    HE1  PHE  15           HE2      PHE  15   3.868  15.404  -3.245
  128    HE2  PHE  15           HE1      PHE  15   0.077  14.714  -1.459
  129    HZ   PHE  15           HZ       PHE  15   2.051  13.870  -2.658
  130    H    ASP  16           HN       ASP  16   2.146  20.277   2.122
  131    HA   ASP  16           HA       ASP  16   1.844  22.186   3.241
  132    HB2  ASP  16           HB2      ASP  16   4.276  22.511   2.792
  133    HB3  ASP  16           HB1      ASP  16   3.883  23.373   1.306
  134    H    ASP  17           HN       ASP  17  -0.305  22.078   2.461
  135    HA   ASP  17           HA       ASP  17  -1.258  24.183   0.742
  136    HB2  ASP  17           HB2      ASP  17  -0.319  22.281  -0.793
  137    HB3  ASP  17           HB1      ASP  17  -1.677  21.309  -0.242
  138    H    ASP  18           HN       ASP  18  -3.718  23.758   0.347
  139    HA   ASP  18           HA       ASP  18  -5.055  22.381   2.590
  140    HB2  ASP  18           HB2      ASP  18  -4.638  24.689   3.379
  141    HB3  ASP  18           HB1      ASP  18  -5.386  25.343   1.924
  142    H    SER  19           HN       SER  19  -5.066  23.719  -0.604
  143    HA   SER  19           HA       SER  19  -7.848  23.446  -1.249
  144    HB2  SER  19           HB2      SER  19  -5.457  23.572  -3.150
  145    HB3  SER  19           HB1      SER  19  -7.142  23.922  -3.550
  146    HG   SER  19           HG       SER  19  -5.299  25.573  -2.602
  147    H    ILE  20           HN       ILE  20  -5.184  21.227  -1.091
  148    HA   ILE  20           HA       ILE  20  -5.877  19.264  -2.965
  149    HB   ILE  20           HB       ILE  20  -4.382  19.031  -0.316
  150   HG12  ILE  20          HG12      ILE  20  -3.397  19.063  -3.203
  151   HG13  ILE  20          HG11      ILE  20  -3.287  20.405  -2.074
  152   HG21  ILE  20          HG21      ILE  20  -5.301  16.800  -0.812
  153   HG22  ILE  20          HG22      ILE  20  -3.552  16.811  -1.030
  154   HG23  ILE  20          HG23      ILE  20  -4.615  16.861  -2.439
  155   HD11  ILE  20          HD11      ILE  20  -1.855  17.764  -1.850
  156   HD12  ILE  20          HD12      ILE  20  -1.756  19.088  -0.684
  157   HD13  ILE  20          HD13      ILE  20  -1.166  19.312  -2.329
  158    H    VAL  21           HN       VAL  21  -7.741  18.253  -3.129
  159    HA   VAL  21           HA       VAL  21  -9.036  17.029  -0.752
  160    HB   VAL  21           HB       VAL  21 -10.406  17.876  -3.358
  161   HG11  VAL  21          HG11      VAL  21 -12.526  17.347  -2.182
  162   HG12  VAL  21          HG12      VAL  21 -11.606  16.790  -0.781
  163   HG13  VAL  21          HG13      VAL  21 -11.485  15.929  -2.316
  164   HG21  VAL  21          HG21      VAL  21 -10.565  19.214  -0.625
  165   HG22  VAL  21          HG22      VAL  21 -11.505  19.663  -2.051
  166   HG23  VAL  21          HG23      VAL  21  -9.753  19.867  -2.050
  167    H    LEU  22           HN       LEU  22  -8.584  14.871  -0.804
  168    HA   LEU  22           HA       LEU  22  -7.362  13.716  -3.153
  169    HB2  LEU  22           HB2      LEU  22  -7.950  12.544  -0.407
  170    HB3  LEU  22           HB1      LEU  22  -7.029  11.725  -1.665
  171    HG   LEU  22           HG       LEU  22  -6.228  14.300  -0.244
  172   HD11  LEU  22          HD11      LEU  22  -5.978  12.303   1.146
  173   HD12  LEU  22          HD12      LEU  22  -4.413  12.980   0.707
  174   HD13  LEU  22          HD13      LEU  22  -5.005  11.532  -0.108
  175   HD21  LEU  22          HD21      LEU  22  -4.722  12.789  -2.413
  176   HD22  LEU  22          HD22      LEU  22  -4.111  14.166  -1.493
  177   HD23  LEU  22          HD23      LEU  22  -5.478  14.373  -2.584
  178    H    THR  23           HN       THR  23  -8.111  12.194  -4.459
  179    HA   THR  23           HA       THR  23 -10.623  10.756  -3.888
  180    HB   THR  23           HB       THR  23 -11.266  10.759  -6.257
  181    HG1  THR  23           HG1      THR  23 -10.053  12.077  -7.775
  182   HG21  THR  23          HG21      THR  23 -12.102  12.687  -4.943
  183   HG22  THR  23          HG22      THR  23 -11.838  13.129  -6.630
  184   HG23  THR  23          HG23      THR  23 -10.672  13.621  -5.402
  185    H    ARG  24           HN       ARG  24 -10.634   8.694  -5.271
  186    HA   ARG  24           HA       ARG  24  -8.311   7.200  -4.656
  187    HB2  ARG  24           HB2      ARG  24 -10.696   6.449  -6.393
  188    HB3  ARG  24           HB1      ARG  24  -9.506   5.314  -5.754
  189    HG2  ARG  24           HG2      ARG  24 -10.197   5.823  -3.459
  190    HG3  ARG  24           HG1      ARG  24 -11.315   7.057  -4.040
  191    HD2  ARG  24           HD2      ARG  24 -12.547   5.048  -3.453
  192    HD3  ARG  24           HD1      ARG  24 -12.621   5.279  -5.199
  193    HE   ARG  24           HE       ARG  24 -10.885   3.552  -5.406
  194   HH11  ARG  24          HH11      ARG  24 -12.634   3.621  -2.350
  195   HH12  ARG  24          HH12      ARG  24 -12.405   1.929  -2.051
  196   HH21  ARG  24          HH21      ARG  24 -10.605   1.338  -5.010
  197   HH22  ARG  24          HH22      ARG  24 -11.244   0.630  -3.559
  198    H    GLU  25           HN       GLU  25  -9.116   9.058  -7.461
  199    HA   GLU  25           HA       GLU  25  -6.952   7.774  -9.040
  200    HB2  GLU  25           HB2      GLU  25  -9.350   9.333 -10.079
  201    HB3  GLU  25           HB1      GLU  25  -8.077   8.623 -11.074
  202    HG2  GLU  25           HG2      GLU  25  -8.732   6.366 -10.221
  203    HG3  GLU  25           HG1      GLU  25 -10.054   7.114  -9.326
  204    H    THR  26           HN       THR  26  -7.292  10.412  -7.108
  205    HA   THR  26           HA       THR  26  -5.983  12.474  -8.532
  206    HB   THR  26           HB       THR  26  -5.754  11.759  -5.569
  207    HG1  THR  26           HG1      THR  26  -7.792  12.701  -7.004
  208   HG21  THR  26          HG21      THR  26  -5.189  14.127  -5.198
  209   HG22  THR  26          HG22      THR  26  -5.183  14.409  -6.939
  210   HG23  THR  26          HG23      THR  26  -3.975  13.344  -6.213
  211    H    SER  27           HN       SER  27  -3.765  12.808  -9.037
  212    HA   SER  27           HA       SER  27  -1.716  10.919  -8.177
  213    HB2  SER  27           HB2      SER  27  -1.285  10.152 -10.562
  214    HB3  SER  27           HB1      SER  27  -2.811   9.581  -9.888
  215    HG   SER  27           HG       SER  27  -3.915  10.948 -11.153
  216    H    ALA  28           HN       ALA  28   0.391  11.320  -9.535
  217    HA   ALA  28           HA       ALA  28   0.826  14.194  -9.944
  218    HB1  ALA  28           HB1      ALA  28   2.779  11.866  -9.693
  219    HB2  ALA  28           HB2      ALA  28   2.407  13.044  -8.432
  220    HB3  ALA  28           HB3      ALA  28   3.224  13.565  -9.907
  221    H    ASN  29           HN       ASN  29   0.261  14.609 -12.114
  222    HA   ASN  29           HA       ASN  29   0.416  13.559 -14.443
  223    HB2  ASN  29           HB2      ASN  29   0.197  11.198 -13.600
  224    HB3  ASN  29           HB1      ASN  29  -1.369  11.585 -12.900
  225   HD21  ASN  29          HD21      ASN  29   0.397  11.016 -15.878
  226   HD22  ASN  29          HD22      ASN  29  -0.990  10.769 -16.881
  227    H    ASP  30           HN       ASP  30  -2.310  13.232 -12.177
  228    HA   ASP  30           HA       ASP  30  -3.999  15.169 -13.449
  229    HB2  ASP  30           HB2      ASP  30  -4.912  13.245 -12.190
  230    HB3  ASP  30           HB1      ASP  30  -4.137  13.816 -10.717
  231    H    ILE  31           HN       ILE  31  -1.318  15.430 -11.294
  232    HA   ILE  31           HA       ILE  31  -2.006  18.199 -10.510
  233    HB   ILE  31           HB       ILE  31  -0.886  16.076  -8.612
  234   HG12  ILE  31          HG12      ILE  31  -3.500  17.654  -8.561
  235   HG13  ILE  31          HG11      ILE  31  -3.330  15.920  -8.815
  236   HG21  ILE  31          HG21      ILE  31  -1.233  19.054  -8.074
  237   HG22  ILE  31          HG22      ILE  31   0.303  18.202  -8.231
  238   HG23  ILE  31          HG23      ILE  31  -0.763  17.845  -6.872
  239   HD11  ILE  31          HD11      ILE  31  -2.734  17.420  -6.269
  240   HD12  ILE  31          HD12      ILE  31  -2.503  15.685  -6.512
  241   HD13  ILE  31          HD13      ILE  31  -4.121  16.385  -6.596
  242    H    ASP  32           HN       ASP  32  -0.329  19.607 -10.668
  243    HA   ASP  32           HA       ASP  32   2.152  18.751 -11.945
  244    HB2  ASP  32           HB2      ASP  32   1.229  21.571 -11.215
  245    HB3  ASP  32           HB1      ASP  32   2.623  21.171 -12.212
  246    H    ALA  33           HN       ALA  33   1.098  20.226  -8.891
  247    HA   ALA  33           HA       ALA  33   3.590  21.095  -7.870
  248    HB1  ALA  33           HB1      ALA  33   1.425  21.912  -7.012
  249    HB2  ALA  33           HB2      ALA  33   2.413  21.281  -5.695
  250    HB3  ALA  33           HB3      ALA  33   1.075  20.320  -6.331
  251    H    TRP  34           HN       TRP  34   2.327  17.947  -8.112
  252    HA   TRP  34           HA       TRP  34   3.804  16.796  -5.855
  253    HB2  TRP  34           HB2      TRP  34   1.374  16.248  -6.417
  254    HB3  TRP  34           HB1      TRP  34   1.945  15.440  -7.869
  255    HD1  TRP  34           HD1      TRP  34   4.455  14.318  -5.575
  256    HE1  TRP  34           HE1      TRP  34   3.802  12.108  -4.429
  257    HE3  TRP  34           HE3      TRP  34  -0.558  14.345  -6.552
  258    HZ2  TRP  34           HZ2      TRP  34   1.486  10.597  -3.972
  259    HZ3  TRP  34           HZ3      TRP  34  -1.930  12.481  -5.719
  260    HH2  TRP  34           HH2      TRP  34  -0.923  10.645  -4.452
  261    H    ASP  35           HN       ASP  35   5.866  17.491  -6.987
  262    HA   ASP  35           HA       ASP  35   6.827  15.887  -9.209
  263    HB2  ASP  35           HB2      ASP  35   9.021  16.920  -8.788
  264    HB3  ASP  35           HB1      ASP  35   7.757  18.145  -8.818
  265    H    SER  36           HN       SER  36   9.110  14.660  -8.762
  266    HA   SER  36           HA       SER  36   8.308  12.341  -7.408
  267    HB2  SER  36           HB2      SER  36  11.192  12.281  -7.887
  268    HB3  SER  36           HB1      SER  36   9.923  11.339  -8.642
  269    H    LEU  37           HN       LEU  37  10.485  14.936  -6.445
  270    HA   LEU  37           HA       LEU  37  11.445  13.704  -4.049
  271    HB2  LEU  37           HB2      LEU  37  11.391  16.612  -4.932
  272    HB3  LEU  37           HB1      LEU  37  12.073  16.117  -3.396
  273    HG   LEU  37           HG       LEU  37  13.894  16.406  -4.932
  274   HD11  LEU  37          HD11      LEU  37  14.109  14.537  -3.383
  275   HD12  LEU  37          HD12      LEU  37  14.961  14.218  -4.890
  276   HD13  LEU  37          HD13      LEU  37  13.408  13.439  -4.576
  277   HD21  LEU  37          HD21      LEU  37  12.694  16.243  -7.060
  278   HD22  LEU  37          HD22      LEU  37  12.524  14.498  -6.856
  279   HD23  LEU  37          HD23      LEU  37  14.126  15.215  -7.065
  280    H    SER  38           HN       SER  38   8.583  15.589  -4.793
  281    HA   SER  38           HA       SER  38   7.634  15.881  -2.116
  282    HB2  SER  38           HB2      SER  38   6.139  15.889  -4.765
  283    HB3  SER  38           HB1      SER  38   5.447  16.371  -3.215
  284    HG   SER  38           HG       SER  38   7.635  17.583  -4.551
  285    H    HIS  39           HN       HIS  39   7.291  13.284  -4.575
  286    HA   HIS  39           HA       HIS  39   5.568  11.568  -3.097
  287    HB2  HIS  39           HB2      HIS  39   7.771  10.802  -5.072
  288    HB3  HIS  39           HB1      HIS  39   6.631   9.649  -4.382
  289    HD2  HIS  39           HD2      HIS  39   6.698  12.594  -6.904
  290    HE1  HIS  39           HE1      HIS  39   3.169  10.394  -7.441
  291    HE2  HIS  39           HE2      HIS  39   4.523  12.361  -8.236
  292    H    MET  40           HN       MET  40   9.104  11.909  -3.100
  293    HA   MET  40           HA       MET  40   9.760   9.836  -1.355
  294    HB2  MET  40           HB2      MET  40  11.162  12.516  -1.740
  295    HB3  MET  40           HB1      MET  40  11.849  11.152  -0.862
  296    HG2  MET  40           HG2      MET  40  11.195  11.276  -3.815
  297    HG3  MET  40           HG1      MET  40  12.792  11.188  -3.064
  298    HE1  MET  40           HE1      MET  40  12.176   8.950  -0.720
  299    HE2  MET  40           HE2      MET  40  13.648   8.969  -1.692
  300    HE3  MET  40           HE3      MET  40  12.698   7.491  -1.572
  301    H    ASN  41           HN       ASN  41   9.034  13.254  -0.630
  302    HA   ASN  41           HA       ASN  41   9.136  13.054   2.197
  303    HB2  ASN  41           HB2      ASN  41   7.666  15.041   0.417
  304    HB3  ASN  41           HB1      ASN  41   7.788  15.204   2.167
  305   HD21  ASN  41          HD21      ASN  41   8.749  16.999   0.136
  306   HD22  ASN  41          HD22      ASN  41  10.455  17.142   0.358
  307    H    LEU  42           HN       LEU  42   6.537  12.543  -0.139
  308    HA   LEU  42           HA       LEU  42   4.337  12.456   1.595
  309    HB2  LEU  42           HB2      LEU  42   4.339  12.689  -0.931
  310    HB3  LEU  42           HB1      LEU  42   4.655  10.973  -1.049
  311    HG   LEU  42           HG       LEU  42   2.252  11.784  -1.458
  312   HD11  LEU  42          HD11      LEU  42   2.737   9.418  -1.146
  313   HD12  LEU  42          HD12      LEU  42   1.192   9.845  -0.419
  314   HD13  LEU  42          HD13      LEU  42   2.611   9.599   0.603
  315   HD21  LEU  42          HD21      LEU  42   2.122  13.371   0.398
  316   HD22  LEU  42          HD22      LEU  42   2.222  12.045   1.561
  317   HD23  LEU  42          HD23      LEU  42   0.833  12.178   0.483
  318    H    ILE  43           HN       ILE  43   6.256   9.769   0.267
  319    HA   ILE  43           HA       ILE  43   4.828   7.712   1.581
  320    HB   ILE  43           HB       ILE  43   7.350   7.824  -0.064
  321   HG12  ILE  43          HG12      ILE  43   6.170   5.995  -1.359
  322   HG13  ILE  43          HG11      ILE  43   4.835   6.087  -0.219
  323   HG21  ILE  43          HG21      ILE  43   7.860   5.413   0.295
  324   HG22  ILE  43          HG22      ILE  43   6.704   5.392   1.628
  325   HG23  ILE  43          HG23      ILE  43   8.146   6.400   1.731
  326   HD11  ILE  43          HD11      ILE  43   5.731   8.261  -2.109
  327   HD12  ILE  43          HD12      ILE  43   4.403   8.394  -0.955
  328   HD13  ILE  43          HD13      ILE  43   4.309   7.230  -2.274
  329    H    VAL  44           HN       VAL  44   7.918   9.390   2.409
  330    HA   VAL  44           HA       VAL  44   8.465   7.722   4.644
  331    HB   VAL  44           HB       VAL  44  10.144   9.325   5.326
  332   HG11  VAL  44          HG11      VAL  44  11.552   9.336   3.306
  333   HG12  VAL  44          HG12      VAL  44  10.140   8.954   2.317
  334   HG13  VAL  44          HG13      VAL  44  10.722   7.793   3.514
  335   HG21  VAL  44          HG21      VAL  44   8.991  11.450   4.972
  336   HG22  VAL  44          HG22      VAL  44   9.049  11.220   3.226
  337   HG23  VAL  44          HG23      VAL  44  10.544  11.462   4.134
  338    H    SER  45           HN       SER  45   6.565  10.672   4.296
  339    HA   SER  45           HA       SER  45   6.030  11.202   7.019
  340    HB2  SER  45           HB2      SER  45   4.249  11.677   4.591
  341    HB3  SER  45           HB1      SER  45   3.930  12.321   6.203
  342    HG   SER  45           HG       SER  45   5.579  13.244   4.289
  343    H    LEU  46           HN       LEU  46   4.424   9.046   4.681
  344    HA   LEU  46           HA       LEU  46   2.376   8.087   6.393
  345    HB2  LEU  46           HB2      LEU  46   3.724   6.756   4.012
  346    HB3  LEU  46           HB1      LEU  46   2.239   6.183   4.765
  347    HG   LEU  46           HG       LEU  46   2.541   8.899   3.416
  348   HD11  LEU  46          HD11      LEU  46   1.181   7.969   1.590
  349   HD12  LEU  46          HD12      LEU  46   1.243   6.377   2.352
  350   HD13  LEU  46          HD13      LEU  46   2.723   7.131   1.752
  351   HD21  LEU  46          HD21      LEU  46   0.092   8.996   3.587
  352   HD22  LEU  46          HD22      LEU  46   0.845   8.899   5.174
  353   HD23  LEU  46          HD23      LEU  46   0.083   7.468   4.473
  354    H    GLU  47           HN       GLU  47   5.659   6.978   5.709
  355    HA   GLU  47           HA       GLU  47   5.578   4.528   7.089
  356    HB2  GLU  47           HB2      GLU  47   7.952   6.275   6.318
  357    HB3  GLU  47           HB1      GLU  47   8.106   4.644   6.969
  358    HG2  GLU  47           HG2      GLU  47   6.805   3.785   5.026
  359    HG3  GLU  47           HG1      GLU  47   6.758   5.413   4.361
  360    H    VAL  48           HN       VAL  48   6.660   7.772   8.162
  361    HA   VAL  48           HA       VAL  48   7.378   6.814  10.779
  362    HB   VAL  48           HB       VAL  48   7.868   9.139  11.360
  363   HG11  VAL  48          HG11      VAL  48   9.675   9.536   9.715
  364   HG12  VAL  48          HG12      VAL  48   8.935   8.361   8.625
  365   HG13  VAL  48          HG13      VAL  48   9.572   7.836  10.185
  366   HG21  VAL  48          HG21      VAL  48   6.059  10.330  10.184
  367   HG22  VAL  48          HG22      VAL  48   6.776   9.922   8.625
  368   HG23  VAL  48          HG23      VAL  48   7.629  10.998   9.737
  369    H    HIS  49           HN       HIS  49   4.590   8.701   9.520
  370    HA   HIS  49           HA       HIS  49   3.338   9.211  11.986
  371    HB2  HIS  49           HB2      HIS  49   2.276   9.147   9.154
  372    HB3  HIS  49           HB1      HIS  49   1.165   9.383  10.493
  373    HD1  HIS  49           HD1      HIS  49   0.628  11.773  10.775
  374    HD2  HIS  49           HD2      HIS  49   4.548  11.243   9.509
  375    HE1  HIS  49           HE1      HIS  49   1.574  14.084  10.517
  376    HE2  HIS  49           HE2      HIS  49   3.929  13.737   9.700
  377    H    TYR  50           HN       TYR  50   2.619   6.623   9.631
  378    HA   TYR  50           HA       TYR  50   0.772   5.319  11.484
  379    HB2  TYR  50           HB2      TYR  50   1.580   4.564   8.647
  380    HB3  TYR  50           HB1      TYR  50   0.317   3.776   9.580
  381    HD1  TYR  50           HD2      TYR  50   1.241   6.904   7.806
  382    HD2  TYR  50           HD1      TYR  50  -1.902   4.779   9.778
  383    HE1  TYR  50           HE2      TYR  50  -0.397   8.497   6.919
  384    HE2  TYR  50           HE1      TYR  50  -3.538   6.381   8.885
  385    HH   TYR  50           HH       TYR  50  -2.791   8.591   6.416
  386    H    LYS  51           HN       LYS  51   4.088   5.236  11.170
  387    HA   LYS  51           HA       LYS  51   5.780   3.831  11.615
  388    HB2  LYS  51           HB2      LYS  51   3.650   2.540  13.353
  389    HB3  LYS  51           HB1      LYS  51   5.310   1.974  13.351
  390    HG2  LYS  51           HG2      LYS  51   5.018   3.396  15.254
  391    HG3  LYS  51           HG1      LYS  51   6.047   4.246  14.100
  392    HD2  LYS  51           HD2      LYS  51   4.064   5.565  13.356
  393    HD3  LYS  51           HD1      LYS  51   3.083   4.730  14.563
  394    HE2  LYS  51           HE2      LYS  51   4.460   5.690  16.362
  395    HE3  LYS  51           HE1      LYS  51   5.486   6.489  15.167
  396    HZ1  LYS  51           HZ1      LYS  51   3.901   8.037  16.019
  397    HZ2  LYS  51           HZ2      LYS  51   2.616   7.003  15.667
  398    HZ3  LYS  51           HZ3      LYS  51   3.500   7.699  14.409
  399    H    ILE  52           HN       ILE  52   4.704   3.416   9.190
  400    HA   ILE  52           HA       ILE  52   4.638   0.478   8.738
  401    HB   ILE  52           HB       ILE  52   3.282   0.875   6.730
  402   HG12  ILE  52          HG12      ILE  52   3.410   3.842   7.464
  403   HG13  ILE  52          HG11      ILE  52   4.125   3.096   6.041
  404   HG21  ILE  52          HG21      ILE  52   1.189   1.627   7.826
  405   HG22  ILE  52          HG22      ILE  52   2.131   2.250   9.181
  406   HG23  ILE  52          HG23      ILE  52   2.113   0.520   8.841
  407   HD11  ILE  52          HD11      ILE  52   2.128   4.277   5.444
  408   HD12  ILE  52          HD12      ILE  52   1.181   3.381   6.629
  409   HD13  ILE  52          HD13      ILE  52   1.859   2.548   5.226
  410    H    LYS  53           HN       LYS  53   5.141   0.270   6.094
  411    HA   LYS  53           HA       LYS  53   7.395   1.848   5.216
  412    HB2  LYS  53           HB2      LYS  53   8.312   0.247   7.013
  413    HB3  LYS  53           HB1      LYS  53   7.929  -1.083   5.930
  414    HG2  LYS  53           HG2      LYS  53   9.779   1.178   5.109
  415    HG3  LYS  53           HG1      LYS  53  10.367  -0.210   6.029
  416    HD2  LYS  53           HD2      LYS  53   9.634  -1.724   4.216
  417    HD3  LYS  53           HD1      LYS  53   9.020  -0.347   3.303
  418    HE2  LYS  53           HE2      LYS  53  11.328   0.568   3.167
  419    HE3  LYS  53           HE1      LYS  53  11.929  -0.863   4.015
  420    HZ1  LYS  53           HZ1      LYS  53  11.018  -2.218   2.194
  421    HZ2  LYS  53           HZ2      LYS  53  12.200  -1.136   1.661
  422    HZ3  LYS  53           HZ3      LYS  53  10.567  -0.808   1.375
  423    H    PHE  54           HN       PHE  54   7.448   1.797   3.012
  424    HA   PHE  54           HA       PHE  54   5.884  -0.270   1.543
  425    HB2  PHE  54           HB2      PHE  54   6.779   2.485   0.554
  426    HB3  PHE  54           HB1      PHE  54   5.752   1.351  -0.317
  427    HD1  PHE  54           HD1      PHE  54   5.907   3.723   2.517
  428    HD2  PHE  54           HD2      PHE  54   3.358   1.174   0.189
  429    HE1  PHE  54           HE1      PHE  54   3.929   4.808   3.484
  430    HE2  PHE  54           HE2      PHE  54   1.394   2.277   1.180
  431    HZ   PHE  54           HZ       PHE  54   1.677   4.088   2.813
  432    H    ALA  55           HN       ALA  55   6.815  -1.267  -0.263
  433    HA   ALA  55           HA       ALA  55   9.737  -1.213  -0.518
  434    HB1  ALA  55           HB1      ALA  55   9.409  -3.098  -2.090
  435    HB2  ALA  55           HB2      ALA  55   7.657  -2.928  -1.941
  436    HB3  ALA  55           HB3      ALA  55   8.619  -3.414  -0.544
  437    H    LEU  56           HN       LEU  56  10.777  -0.453  -2.426
  438    HA   LEU  56           HA       LEU  56   9.573   1.591  -3.963
  439    HB2  LEU  56           HB2      LEU  56  12.110   1.010  -3.483
  440    HB3  LEU  56           HB1      LEU  56  12.001   0.009  -4.911
  441    HG   LEU  56           HG       LEU  56  13.051   2.236  -5.317
  442   HD11  LEU  56          HD11      LEU  56  12.009   1.091  -7.199
  443   HD12  LEU  56          HD12      LEU  56  11.903   2.841  -7.359
  444   HD13  LEU  56          HD13      LEU  56  10.481   1.915  -6.872
  445   HD21  LEU  56          HD21      LEU  56  10.335   3.418  -4.685
  446   HD22  LEU  56          HD22      LEU  56  11.747   4.292  -5.290
  447   HD23  LEU  56          HD23      LEU  56  11.789   3.554  -3.692
  448    H    GLY  57           HN       GLY  57   9.804  -1.905  -4.466
  449    HA2  GLY  57           HA2      GLY  57   8.836  -2.166  -7.089
  450    HA3  GLY  57           HA1      GLY  57   8.568  -3.320  -5.788
  451    H    GLU  58           HN       GLU  58   7.098  -1.734  -4.014
  452    HA   GLU  58           HA       GLU  58   4.457  -1.786  -5.099
  453    HB2  GLU  58           HB2      GLU  58   5.405  -0.562  -2.473
  454    HB3  GLU  58           HB1      GLU  58   3.730  -0.903  -2.903
  455    HG2  GLU  58           HG2      GLU  58   4.274  -3.320  -3.015
  456    HG3  GLU  58           HG1      GLU  58   5.929  -2.960  -2.524
  457    H    LEU  59           HN       LEU  59   6.831   0.799  -4.545
  458    HA   LEU  59           HA       LEU  59   5.265   3.082  -5.009
  459    HB2  LEU  59           HB2      LEU  59   8.186   2.434  -5.241
  460    HB3  LEU  59           HB1      LEU  59   7.661   3.878  -6.071
  461    HG   LEU  59           HG       LEU  59   8.619   4.329  -3.819
  462   HD11  LEU  59          HD11      LEU  59   7.079   5.908  -4.823
  463   HD12  LEU  59          HD12      LEU  59   6.881   5.873  -3.076
  464   HD13  LEU  59          HD13      LEU  59   5.700   5.066  -4.109
  465   HD21  LEU  59          HD21      LEU  59   7.862   2.319  -2.636
  466   HD22  LEU  59          HD22      LEU  59   6.190   2.874  -2.725
  467   HD23  LEU  59          HD23      LEU  59   7.373   3.783  -1.781
  468    H    GLN  60           HN       GLN  60   6.892   0.930  -7.319
  469    HA   GLN  60           HA       GLN  60   6.192   2.306  -9.695
  470    HB2  GLN  60           HB2      GLN  60   6.642  -0.689  -9.430
  471    HB3  GLN  60           HB1      GLN  60   6.867   0.292 -10.875
  472    HG2  GLN  60           HG2      GLN  60   8.531   0.598  -8.358
  473    HG3  GLN  60           HG1      GLN  60   8.966  -0.466  -9.681
  474   HE21  GLN  60          HE21      GLN  60   7.660   2.859 -10.120
  475   HE22  GLN  60          HE22      GLN  60   9.120   3.496 -10.758
  476    H    LYS  61           HN       LYS  61   4.320   0.305  -7.613
  477    HA   LYS  61           HA       LYS  61   2.125  -0.077  -9.535
  478    HB2  LYS  61           HB2      LYS  61   2.511  -1.095  -6.687
  479    HB3  LYS  61           HB1      LYS  61   1.111  -1.457  -7.696
  480    HG2  LYS  61           HG2      LYS  61   3.984  -2.257  -8.303
  481    HG3  LYS  61           HG1      LYS  61   2.733  -3.321  -7.651
  482    HD2  LYS  61           HD2      LYS  61   2.668  -1.968 -10.385
  483    HD3  LYS  61           HD1      LYS  61   3.032  -3.667 -10.083
  484    HE2  LYS  61           HE2      LYS  61   0.739  -3.995  -9.193
  485    HE3  LYS  61           HE1      LYS  61   0.382  -2.293  -9.497
  486    HZ1  LYS  61           HZ1      LYS  61   1.113  -4.283 -11.566
  487    HZ2  LYS  61           HZ2      LYS  61   0.691  -2.669 -11.844
  488    HZ3  LYS  61           HZ3      LYS  61  -0.458  -3.754 -11.235
  489    H    LEU  62           HN       LEU  62   3.098   2.170  -7.149
  490    HA   LEU  62           HA       LEU  62   0.439   3.009  -6.312
  491    HB2  LEU  62           HB2      LEU  62   3.172   4.295  -5.843
  492    HB3  LEU  62           HB1      LEU  62   1.667   4.877  -5.147
  493    HG   LEU  62           HG       LEU  62   2.918   2.171  -4.559
  494   HD11  LEU  62          HD11      LEU  62   4.296   3.925  -3.633
  495   HD12  LEU  62          HD12      LEU  62   3.461   3.068  -2.341
  496   HD13  LEU  62          HD13      LEU  62   2.899   4.663  -2.852
  497   HD21  LEU  62          HD21      LEU  62   1.249   1.981  -2.765
  498   HD22  LEU  62          HD22      LEU  62   0.495   2.072  -4.352
  499   HD23  LEU  62          HD23      LEU  62   0.498   3.490  -3.300
  500    H    LYS  63           HN       LYS  63  -0.558   3.511  -8.324
  501    HA   LYS  63           HA       LYS  63   0.634   5.517 -10.091
  502    HB2  LYS  63           HB2      LYS  63  -0.562   3.392 -10.884
  503    HB3  LYS  63           HB1      LYS  63  -2.071   4.130 -10.384
  504    HG2  LYS  63           HG2      LYS  63  -0.253   5.471 -12.413
  505    HG3  LYS  63           HG1      LYS  63  -1.385   4.211 -12.898
  506    HD2  LYS  63           HD2      LYS  63  -3.249   5.633 -11.936
  507    HD3  LYS  63           HD1      LYS  63  -2.065   6.911 -11.660
  508    HE2  LYS  63           HE2      LYS  63  -2.805   5.745 -14.372
  509    HE3  LYS  63           HE1      LYS  63  -3.374   7.282 -13.728
  510    HZ1  LYS  63           HZ1      LYS  63  -1.522   7.507 -15.304
  511    HZ2  LYS  63           HZ2      LYS  63  -0.524   6.637 -14.253
  512    HZ3  LYS  63           HZ3      LYS  63  -1.152   8.130 -13.776
  513    H    ASN  64           HN       ASN  64  -1.813   5.274  -7.596
  514    HA   ASN  64           HA       ASN  64  -2.402   8.170  -7.805
  515    HB2  ASN  64           HB2      ASN  64  -4.593   6.062  -7.386
  516    HB3  ASN  64           HB1      ASN  64  -4.803   7.808  -7.537
  517   HD21  ASN  64          HD21      ASN  64  -4.343   4.834  -9.241
  518   HD22  ASN  64          HD22      ASN  64  -4.587   5.473 -10.829
  519    H    VAL  65           HN       VAL  65  -3.639   8.949  -5.901
  520    HA   VAL  65           HA       VAL  65  -2.723   8.311  -3.345
  521    HB   VAL  65           HB       VAL  65  -5.393   9.619  -4.082
  522   HG11  VAL  65          HG11      VAL  65  -5.357   8.897  -1.714
  523   HG12  VAL  65          HG12      VAL  65  -5.323  10.654  -1.835
  524   HG13  VAL  65          HG13      VAL  65  -3.844   9.769  -1.459
  525   HG21  VAL  65          HG21      VAL  65  -4.232  11.770  -3.827
  526   HG22  VAL  65          HG22      VAL  65  -3.488  10.797  -5.095
  527   HG23  VAL  65          HG23      VAL  65  -2.713  10.925  -3.517
  528    H    GLY  66           HN       GLY  66  -5.436   7.034  -5.219
  529    HA2  GLY  66           HA2      GLY  66  -6.759   5.562  -3.180
  530    HA3  GLY  66           HA1      GLY  66  -6.832   5.243  -4.908
  531    H    ASP  67           HN       ASP  67  -4.053   4.778  -5.349
  532    HA   ASP  67           HA       ASP  67  -3.678   2.082  -4.542
  533    HB2  ASP  67           HB2      ASP  67  -1.723   4.093  -5.748
  534    HB3  ASP  67           HB1      ASP  67  -1.313   2.405  -5.450
  535    H    LEU  68           HN       LEU  68  -2.161   5.164  -3.411
  536    HA   LEU  68           HA       LEU  68  -0.666   4.078  -1.299
  537    HB2  LEU  68           HB2      LEU  68  -1.837   6.815  -1.780
  538    HB3  LEU  68           HB1      LEU  68  -1.304   6.459  -0.156
  539    HG   LEU  68           HG       LEU  68   0.487   7.593  -1.154
  540   HD11  LEU  68          HD11      LEU  68   1.175   5.652   0.144
  541   HD12  LEU  68          HD12      LEU  68   2.325   6.020  -1.136
  542   HD13  LEU  68          HD13      LEU  68   1.211   4.663  -1.320
  543   HD21  LEU  68          HD21      LEU  68   0.303   5.755  -3.561
  544   HD22  LEU  68          HD22      LEU  68   1.489   7.044  -3.328
  545   HD23  LEU  68          HD23      LEU  68  -0.220   7.441  -3.494
  546    H    ALA  69           HN       ALA  69  -4.047   5.061  -1.424
  547    HA   ALA  69           HA       ALA  69  -4.682   4.892   1.316
  548    HB1  ALA  69           HB1      ALA  69  -7.010   4.942   0.537
  549    HB2  ALA  69           HB2      ALA  69  -6.494   4.573  -1.104
  550    HB3  ALA  69           HB3      ALA  69  -6.039   6.108  -0.361
  551    H    ASP  70           HN       ASP  70  -4.807   2.609  -1.327
  552    HA   ASP  70           HA       ASP  70  -5.930   0.393   0.021
  553    HB2  ASP  70           HB2      ASP  70  -5.792   0.595  -2.473
  554    HB3  ASP  70           HB1      ASP  70  -4.048   0.375  -2.380
  555    H    LEU  71           HN       LEU  71  -2.537   1.301  -0.655
  556    HA   LEU  71           HA       LEU  71  -1.411  -1.051   0.494
  557    HB2  LEU  71           HB2      LEU  71  -0.306   1.459  -0.694
  558    HB3  LEU  71           HB1      LEU  71   0.742   0.657   0.449
  559    HG   LEU  71           HG       LEU  71   1.321  -0.026  -1.811
  560   HD11  LEU  71          HD11      LEU  71  -0.005  -2.297  -0.300
  561   HD12  LEU  71          HD12      LEU  71   1.631  -1.679  -0.053
  562   HD13  LEU  71          HD13      LEU  71   1.211  -2.457  -1.575
  563   HD21  LEU  71          HD21      LEU  71  -0.233  -1.270  -3.246
  564   HD22  LEU  71          HD22      LEU  71  -0.805   0.361  -2.913
  565   HD23  LEU  71          HD23      LEU  71  -1.535  -1.014  -2.079
  566    H    VAL  72           HN       VAL  72  -1.485   2.338   1.723
  567    HA   VAL  72           HA       VAL  72  -0.455   2.084   4.246
  568    HB   VAL  72           HB       VAL  72  -2.859   3.796   3.388
  569   HG11  VAL  72          HG11      VAL  72  -2.330   5.245   5.356
  570   HG12  VAL  72          HG12      VAL  72  -1.111   4.077   5.874
  571   HG13  VAL  72          HG13      VAL  72  -2.812   3.616   5.841
  572   HG21  VAL  72          HG21      VAL  72   0.103   4.562   3.583
  573   HG22  VAL  72          HG22      VAL  72  -1.210   5.645   3.126
  574   HG23  VAL  72          HG23      VAL  72  -0.784   4.294   2.081
  575    H    ASP  73           HN       ASP  73  -3.786   1.393   3.170
  576    HA   ASP  73           HA       ASP  73  -4.798   0.659   5.747
  577    HB2  ASP  73           HB2      ASP  73  -6.208   1.469   3.819
  578    HB3  ASP  73           HB1      ASP  73  -5.913  -0.062   3.001
  579    H    LYS  74           HN       LYS  74  -3.258  -1.089   3.145
  580    HA   LYS  74           HA       LYS  74  -3.718  -3.757   4.070
  581    HB2  LYS  74           HB2      LYS  74  -1.500  -2.632   2.308
  582    HB3  LYS  74           HB1      LYS  74  -1.589  -4.336   2.733
  583    HG2  LYS  74           HG2      LYS  74  -3.680  -2.787   1.171
  584    HG3  LYS  74           HG1      LYS  74  -2.505  -3.923   0.500
  585    HD2  LYS  74           HD2      LYS  74  -3.543  -5.754   1.836
  586    HD3  LYS  74           HD1      LYS  74  -4.728  -4.605   2.466
  587    HE2  LYS  74           HE2      LYS  74  -4.400  -5.421  -0.444
  588    HE3  LYS  74           HE1      LYS  74  -5.696  -5.924   0.647
  589    HZ1  LYS  74           HZ1      LYS  74  -6.394  -3.617   0.811
  590    HZ2  LYS  74           HZ2      LYS  74  -6.407  -4.131  -0.797
  591    HZ3  LYS  74           HZ3      LYS  74  -5.158  -3.139  -0.238
  592    H    LYS  75           HN       LYS  75  -1.286  -1.302   4.820
  593    HA   LYS  75           HA       LYS  75   0.397  -2.954   6.454
  594    HB2  LYS  75           HB2      LYS  75   0.172   0.077   6.623
  595    HB3  LYS  75           HB1      LYS  75   1.550  -0.926   7.050
  596    HG2  LYS  75           HG2      LYS  75   0.544  -0.362   4.256
  597    HG3  LYS  75           HG1      LYS  75   1.951   0.367   5.017
  598    HD2  LYS  75           HD2      LYS  75   3.065  -1.826   5.083
  599    HD3  LYS  75           HD1      LYS  75   1.636  -2.591   4.380
  600    HE2  LYS  75           HE2      LYS  75   1.940  -1.303   2.304
  601    HE3  LYS  75           HE1      LYS  75   3.320  -0.458   3.013
  602    HZ1  LYS  75           HZ1      LYS  75   3.190  -3.387   2.568
  603    HZ2  LYS  75           HZ2      LYS  75   4.531  -2.506   3.111
  604    HZ3  LYS  75           HZ3      LYS  75   3.955  -2.287   1.535
  605    H    LEU  76           HN       LEU  76  -2.275  -0.684   7.025
  606    HA   LEU  76           HA       LEU  76  -2.379  -0.692   9.840
  607    HB2  LEU  76           HB2      LEU  76  -4.563  -0.292   7.756
  608    HB3  LEU  76           HB1      LEU  76  -4.830  -0.045   9.475
  609    HG   LEU  76           HG       LEU  76  -2.742   1.523   7.897
  610   HD11  LEU  76          HD11      LEU  76  -5.582   2.399   8.519
  611   HD12  LEU  76          HD12      LEU  76  -4.952   1.986   6.926
  612   HD13  LEU  76          HD13      LEU  76  -4.318   3.387   7.778
  613   HD21  LEU  76          HD21      LEU  76  -2.808   3.078   9.780
  614   HD22  LEU  76          HD22      LEU  76  -2.411   1.459  10.347
  615   HD23  LEU  76          HD23      LEU  76  -4.038   2.099  10.586
  616    H    ALA  77           HN       ALA  77  -3.784  -2.836   7.413
  617    HA   ALA  77           HA       ALA  77  -5.283  -4.529   9.128
  618    HB1  ALA  77           HB1      ALA  77  -5.372  -6.072   7.215
  619    HB2  ALA  77           HB2      ALA  77  -4.108  -5.148   6.398
  620    HB3  ALA  77           HB3      ALA  77  -5.680  -4.411   6.703
  621    H    ARG  78           HN       ARG  78  -1.895  -4.558   8.100
  622    HA   ARG  78           HA       ARG  78  -1.193  -7.066   9.337
  623    HB2  ARG  78           HB2      ARG  78   0.614  -4.702   8.642
  624    HB3  ARG  78           HB1      ARG  78   1.155  -6.332   9.029
  625    HG2  ARG  78           HG2      ARG  78  -0.487  -5.541   6.604
  626    HG3  ARG  78           HG1      ARG  78   1.244  -5.877   6.612
  627    HD2  ARG  78           HD2      ARG  78   0.801  -8.202   7.281
  628    HD3  ARG  78           HD1      ARG  78  -0.933  -7.876   7.315
  629    HE   ARG  78           HE       ARG  78  -0.603  -7.284   4.845
  630   HH11  ARG  78          HH11      ARG  78   1.324  -9.750   6.436
  631   HH12  ARG  78          HH12      ARG  78   1.485 -10.717   5.009
  632   HH21  ARG  78          HH21      ARG  78  -0.361  -8.536   2.979
  633   HH22  ARG  78          HH22      ARG  78   0.541 -10.017   3.033
  634    H    LYS  79           HN       LYS  79  -1.621  -3.795  10.487
  635    HA   LYS  79           HA       LYS  79  -0.198  -4.105  12.987
  636    HB2  LYS  79           HB2      LYS  79  -2.107  -1.948  11.999
  637    HB3  LYS  79           HB1      LYS  79  -1.298  -1.889  13.563
  638    HG2  LYS  79           HG2      LYS  79   0.054  -1.858  10.847
  639    HG3  LYS  79           HG1      LYS  79  -0.166  -0.480  11.931
  640    HD2  LYS  79           HD2      LYS  79   1.209  -1.838  13.660
  641    HD3  LYS  79           HD1      LYS  79   1.627  -2.903  12.311
  642    HE2  LYS  79           HE2      LYS  79   2.242   0.064  12.555
  643    HE3  LYS  79           HE1      LYS  79   3.393  -1.274  12.619
  644    HZ1  LYS  79           HZ1      LYS  79   2.866  -1.784  10.325
  645    HZ2  LYS  79           HZ2      LYS  79   3.413  -0.192  10.475
  646    HZ3  LYS  79           HZ3      LYS  79   1.761  -0.503  10.264
  647    H    LEU  80           HN       LEU  80  -3.199  -5.226  11.909
  648    HA   LEU  80           HA       LEU  80  -4.898  -4.899  14.117
  649    HB2  LEU  80           HB2      LEU  80  -4.860  -6.622  11.711
  650    HB3  LEU  80           HB1      LEU  80  -5.633  -7.410  13.067
  651    HG   LEU  80           HG       LEU  80  -7.272  -6.261  11.629
  652   HD11  LEU  80          HD11      LEU  80  -7.782  -6.552  13.997
  653   HD12  LEU  80          HD12      LEU  80  -8.497  -5.066  13.383
  654   HD13  LEU  80          HD13      LEU  80  -7.039  -4.994  14.380
  655   HD21  LEU  80          HD21      LEU  80  -5.875  -4.416  10.803
  656   HD22  LEU  80          HD22      LEU  80  -5.868  -3.672  12.402
  657   HD23  LEU  80          HD23      LEU  80  -7.376  -3.806  11.492
  658    H    GLU  81           HN       GLU  81  -4.054  -5.178  16.014
  659    HA   GLU  81           HA       GLU  81  -2.159  -7.212  16.724
  660    HB2  GLU  81           HB2      GLU  81  -2.338  -4.670  17.426
  661    HB3  GLU  81           HB1      GLU  81  -3.462  -5.241  18.648
  662    HG2  GLU  81           HG2      GLU  81  -0.665  -6.377  18.408
  663    HG3  GLU  81           HG1      GLU  81  -0.972  -4.876  19.270
  664    H    HIS  82           HN       HIS  82  -2.492  -8.920  18.193
  665    HA   HIS  82           HA       HIS  82  -4.924 -10.283  17.835
  666    HB2  HIS  82           HB2      HIS  82  -3.962 -12.007  19.441
  667    HB3  HIS  82           HB1      HIS  82  -2.961 -11.626  18.052
  668    HD1  HIS  82           HD1      HIS  82  -0.648 -10.660  18.503
  669    HD2  HIS  82           HD2      HIS  82  -2.896 -11.121  21.955
  670    HE1  HIS  82           HE1      HIS  82   0.962 -10.343  20.396
  671    HE2  HIS  82           HE2      HIS  82  -0.458 -10.463  22.466
  672    H    HIS  83           HN       HIS  83  -3.602  -8.794  20.788
  673    HA   HIS  83           HA       HIS  83  -5.984  -7.683  21.676
  674    HB2  HIS  83           HB2      HIS  83  -6.621  -9.004  23.633
  675    HB3  HIS  83           HB1      HIS  83  -6.705 -10.026  22.211
  676    HD1  HIS  83           HD1      HIS  83  -5.158 -12.069  22.123
  677    HD2  HIS  83           HD2      HIS  83  -4.598  -9.736  25.521
  678    HE1  HIS  83           HE1      HIS  83  -3.726 -13.443  23.661
  679    HE2  HIS  83           HE2      HIS  83  -3.428 -12.033  25.724
  680    H    HIS  84           HN       HIS  84  -5.527  -6.190  23.187
  681    HA   HIS  84           HA       HIS  84  -2.783  -5.877  24.124
  682    HB2  HIS  84           HB2      HIS  84  -5.211  -4.049  24.453
  683    HB3  HIS  84           HB1      HIS  84  -3.540  -3.614  24.802
  684    HD1  HIS  84           HD1      HIS  84  -2.098  -2.848  22.822
  685    HD2  HIS  84           HD2      HIS  84  -5.819  -4.283  21.666
  686    HE1  HIS  84           HE1      HIS  84  -2.297  -2.313  20.374
  687    HE2  HIS  84           HE2      HIS  84  -4.489  -3.335  19.667
  688    H    HIS  85           HN       HIS  85  -3.122  -4.596  26.588
  689    HA   HIS  85           HA       HIS  85  -3.218  -6.844  28.296
  690    HB2  HIS  85           HB2      HIS  85  -1.821  -4.841  28.742
  691    HB3  HIS  85           HB1      HIS  85  -3.275  -3.917  29.097
  692    HD1  HIS  85           HD1      HIS  85  -3.260  -3.558  31.569
  693    HD2  HIS  85           HD2      HIS  85  -2.144  -7.433  30.583
  694    HE1  HIS  85           HE1      HIS  85  -3.005  -4.758  33.753
  695    HE2  HIS  85           HE2      HIS  85  -2.116  -7.024  33.129
  696    H    HIS  86           HN       HIS  86  -5.609  -4.319  27.650
  697    HA   HIS  86           HA       HIS  86  -7.608  -5.716  29.341
  698    HB2  HIS  86           HB2      HIS  86  -7.311  -3.335  29.945
  699    HB3  HIS  86           HB1      HIS  86  -7.630  -2.842  28.282
  700    HD1  HIS  86           HD1      HIS  86  -9.361  -4.482  31.224
  701    HD2  HIS  86           HD2      HIS  86 -10.308  -2.447  27.730
  702    HE1  HIS  86           HE1      HIS  86 -11.849  -4.173  31.285
  703    HE2  HIS  86           HE2      HIS  86 -12.367  -2.776  29.251
  704    H    HIS  87           HN       HIS  87  -7.346  -4.005  26.179
  705    HA   HIS  87           HA       HIS  87  -9.077  -5.985  24.907
  706    HB2  HIS  87           HB2      HIS  87 -10.749  -4.412  25.733
  707    HB3  HIS  87           HB1      HIS  87  -9.842  -3.039  25.107
  708    HD1  HIS  87           HD1      HIS  87 -10.119  -2.456  22.646
  709    HD2  HIS  87           HD2      HIS  87 -12.142  -5.917  23.731
  710    HE1  HIS  87           HE1      HIS  87 -11.575  -3.022  20.683
  711    HE2  HIS  87           HE2      HIS  87 -12.599  -5.241  21.281
  712   H282  PNS  88          H282      PNS  88   6.662  12.612 -11.324
  713   H281  PNS  88          H281      PNS  88   7.546  11.689 -12.542
  714   H303  PNS  88          H303      PNS  88   4.268   9.965 -11.006
  715   H302  PNS  88          H302      PNS  88   4.628  11.686 -10.839
  716   H301  PNS  88          H301      PNS  88   4.699  10.925 -12.431
  717   H313  PNS  88          H313      PNS  88   5.972   9.215  -9.391
  718   H312  PNS  88          H312      PNS  88   7.630   9.825  -9.454
  719   H311  PNS  88          H311      PNS  88   6.303  10.909  -9.031
  720    H32  PNS  88           H32      PNS  88   6.706   9.433 -13.086
  721    H33  PNS  88           H33      PNS  88   8.346   8.154 -11.239
  722    H36  PNS  88           H36      PNS  88   4.453   8.638 -12.737
  723   H372  PNS  88          H372      PNS  88   2.975   6.922 -12.657
  724   H371  PNS  88          H371      PNS  88   4.310   5.837 -12.245
  725   H382  PNS  88          H382      PNS  88   2.740   5.859 -10.400
  726   H381  PNS  88          H381      PNS  88   4.219   6.681  -9.916
  727    H41  PNS  88           H41      PNS  88   2.317   7.180  -8.291
  728   H422  PNS  88          H422      PNS  88   1.902   9.893  -8.123
  729   H421  PNS  88          H421      PNS  88   0.446   9.254  -8.888
  730   H431  PNS  88          H431      PNS  88   0.143   7.702  -6.979
  731   H432  PNS  88          H432      PNS  88   0.129   9.391  -6.465
  732    H44  PNS  88           H44      PNS  88   3.228   8.399  -6.292
  Start of MODEL   18
    1    H1   MET   1           HT1      MET   1 -13.910   1.802   6.061
    2    H2   MET   1           HT2      MET   1 -13.637   3.123   5.046
    3    H3   MET   1           HT3      MET   1 -13.702   3.343   6.719
    4    HA   MET   1           HA       MET   1 -11.730   2.021   7.012
    5    HB2  MET   1           HB2      MET   1 -11.655   2.009   3.959
    6    HB3  MET   1           HB1      MET   1 -10.384   1.394   5.006
    7    HG2  MET   1           HG2      MET   1 -11.890  -0.357   5.825
    8    HG3  MET   1           HG1      MET   1 -13.181   0.266   4.789
    9    HE1  MET   1           HE1      MET   1 -11.360   1.058   2.154
   10    HE2  MET   1           HE2      MET   1 -12.956   0.308   2.066
   11    HE3  MET   1           HE3      MET   1 -11.592  -0.409   1.204
   12    HA   PRO   2           HA       PRO   2 -10.089   6.192   6.729
   13    HB2  PRO   2           HB2      PRO   2  -7.865   5.951   8.195
   14    HB3  PRO   2           HB1      PRO   2  -9.447   5.626   8.924
   15    HG2  PRO   2           HG2      PRO   2  -7.391   3.666   7.897
   16    HG3  PRO   2           HG1      PRO   2  -8.331   3.614   9.404
   17    HD2  PRO   2           HD2      PRO   2  -9.016   2.248   7.064
   18    HD3  PRO   2           HD1      PRO   2 -10.162   2.657   8.360
   19    H    THR   3           HN       THR   3  -9.679   4.684   4.349
   20    HA   THR   3           HA       THR   3  -7.002   4.409   3.526
   21    HB   THR   3           HB       THR   3  -8.073   4.343   1.175
   22    HG1  THR   3           HG1      THR   3 -10.218   4.533   0.985
   23   HG21  THR   3          HG21      THR   3  -9.177   2.174   1.534
   24   HG22  THR   3          HG22      THR   3  -9.200   2.467   3.275
   25   HG23  THR   3          HG23      THR   3  -7.658   2.278   2.431
   26    H    LEU   4           HN       LEU   4  -9.324   6.761   2.123
   27    HA   LEU   4           HA       LEU   4  -7.200   8.561   1.329
   28    HB2  LEU   4           HB2      LEU   4 -10.227   8.826   1.160
   29    HB3  LEU   4           HB1      LEU   4  -9.095   9.987   0.476
   30    HG   LEU   4           HG       LEU   4  -9.296   7.064  -0.380
   31   HD11  LEU   4          HD11      LEU   4 -10.335   7.885  -2.440
   32   HD12  LEU   4          HD12      LEU   4 -10.335   9.534  -1.804
   33   HD13  LEU   4          HD13      LEU   4 -11.314   8.285  -1.026
   34   HD21  LEU   4          HD21      LEU   4  -7.705   9.344  -1.615
   35   HD22  LEU   4          HD22      LEU   4  -7.844   7.703  -2.254
   36   HD23  LEU   4          HD23      LEU   4  -7.039   7.980  -0.713
   37    H    ASP   5           HN       ASP   5  -9.511   8.305   3.930
   38    HA   ASP   5           HA       ASP   5  -9.674  10.906   4.928
   39    HB2  ASP   5           HB2      ASP   5  -9.702   8.334   6.579
   40    HB3  ASP   5           HB1      ASP   5 -10.341   9.895   7.094
   41    H    ALA   6           HN       ALA   6  -7.411   8.314   5.901
   42    HA   ALA   6           HA       ALA   6  -5.959   9.823   7.818
   43    HB1  ALA   6           HB1      ALA   6  -4.352   7.964   7.793
   44    HB2  ALA   6           HB2      ALA   6  -5.089   7.330   6.317
   45    HB3  ALA   6           HB3      ALA   6  -6.010   7.366   7.820
   46    H    LEU   7           HN       LEU   7  -5.603   9.400   4.371
   47    HA   LEU   7           HA       LEU   7  -2.935  10.426   4.148
   48    HB2  LEU   7           HB2      LEU   7  -5.106   9.991   2.065
   49    HB3  LEU   7           HB1      LEU   7  -3.469  10.489   1.683
   50    HG   LEU   7           HG       LEU   7  -4.304   7.830   2.888
   51   HD11  LEU   7          HD11      LEU   7  -3.073   8.499   0.197
   52   HD12  LEU   7          HD12      LEU   7  -4.740   7.996   0.498
   53   HD13  LEU   7          HD13      LEU   7  -3.419   6.878   0.810
   54   HD21  LEU   7          HD21      LEU   7  -1.498   8.846   2.332
   55   HD22  LEU   7          HD22      LEU   7  -1.923   7.184   2.754
   56   HD23  LEU   7          HD23      LEU   7  -2.199   8.480   3.912
   57    H    THR   8           HN       THR   8  -6.160  11.886   4.015
   58    HA   THR   8           HA       THR   8  -5.721  14.134   2.493
   59    HB   THR   8           HB       THR   8  -7.601  13.711   4.826
   60    HG1  THR   8           HG1      THR   8  -7.666  12.624   2.610
   61   HG21  THR   8          HG21      THR   8  -8.896  15.687   4.051
   62   HG22  THR   8          HG22      THR   8  -7.600  16.090   2.920
   63   HG23  THR   8          HG23      THR   8  -7.305  16.153   4.658
   64    HA   PRO   9           HA       PRO   9  -4.238  16.813   6.375
   65    HB2  PRO   9           HB2      PRO   9  -3.246  14.682   8.260
   66    HB3  PRO   9           HB1      PRO   9  -4.094  16.195   8.623
   67    HG2  PRO   9           HG2      PRO   9  -5.396  13.893   8.796
   68    HG3  PRO   9           HG1      PRO   9  -6.200  15.300   8.055
   69    HD2  PRO   9           HD2      PRO   9  -4.832  12.962   6.678
   70    HD3  PRO   9           HD1      PRO   9  -6.433  13.666   6.353
   71    H    ILE  10           HN       ILE  10  -2.673  13.797   5.476
   72    HA   ILE  10           HA       ILE  10   0.038  14.566   6.003
   73    HB   ILE  10           HB       ILE  10  -0.944  12.364   4.130
   74   HG12  ILE  10          HG12      ILE  10  -1.892  12.038   6.394
   75   HG13  ILE  10          HG11      ILE  10  -0.704  10.796   6.036
   76   HG21  ILE  10          HG21      ILE  10   1.766  12.715   5.478
   77   HG22  ILE  10          HG22      ILE  10   1.421  12.898   3.756
   78   HG23  ILE  10          HG23      ILE  10   1.272  11.317   4.520
   79   HD11  ILE  10          HD11      ILE  10  -0.534  11.545   8.329
   80   HD12  ILE  10          HD12      ILE  10  -0.258  13.205   7.798
   81   HD13  ILE  10          HD13      ILE  10   0.928  11.949   7.435
   82    H    PHE  11           HN       PHE  11  -2.015  14.492   3.081
   83    HA   PHE  11           HA       PHE  11  -0.008  15.300   1.219
   84    HB2  PHE  11           HB2      PHE  11  -3.037  15.142   1.115
   85    HB3  PHE  11           HB1      PHE  11  -2.145  15.888  -0.206
   86    HD1  PHE  11           HD1      PHE  11  -1.961  12.731   1.846
   87    HD2  PHE  11           HD2      PHE  11  -1.705  14.509  -2.022
   88    HE1  PHE  11           HE1      PHE  11  -1.616  10.516   0.849
   89    HE2  PHE  11           HE2      PHE  11  -1.367  12.294  -2.996
   90    HZ   PHE  11           HZ       PHE  11  -1.316  10.297  -1.577
   91    H    ARG  12           HN       ARG  12  -2.694  17.017   2.817
   92    HA   ARG  12           HA       ARG  12  -2.177  19.564   1.739
   93    HB2  ARG  12           HB2      ARG  12  -3.634  18.755   4.284
   94    HB3  ARG  12           HB1      ARG  12  -3.684  20.377   3.583
   95    HG2  ARG  12           HG2      ARG  12  -4.721  19.469   1.531
   96    HG3  ARG  12           HG1      ARG  12  -4.642  17.837   2.203
   97    HD2  ARG  12           HD2      ARG  12  -6.202  18.458   3.980
   98    HD3  ARG  12           HD1      ARG  12  -6.222  20.135   3.415
   99    HE   ARG  12           HE       ARG  12  -6.966  18.455   1.291
  100   HH11  ARG  12          HH11      ARG  12  -8.282  19.496   4.371
  101   HH12  ARG  12          HH12      ARG  12  -9.930  19.406   3.833
  102   HH21  ARG  12          HH21      ARG  12  -9.099  18.315   0.593
  103   HH22  ARG  12          HH22      ARG  12 -10.392  18.731   1.678
  104    H    GLN  13           HN       GLN  13  -0.647  17.889   4.409
  105    HA   GLN  13           HA       GLN  13   0.693  20.216   5.471
  106    HB2  GLN  13           HB2      GLN  13   0.178  18.141   6.821
  107    HB3  GLN  13           HB1      GLN  13   1.362  17.262   5.864
  108    HG2  GLN  13           HG2      GLN  13   2.394  17.857   7.952
  109    HG3  GLN  13           HG1      GLN  13   3.127  18.848   6.690
  110   HE21  GLN  13          HE21      GLN  13   3.794  20.427   8.183
  111   HE22  GLN  13          HE22      GLN  13   2.688  21.510   8.946
  112    H    VAL  14           HN       VAL  14   1.783  17.364   3.587
  113    HA   VAL  14           HA       VAL  14   4.478  18.116   3.262
  114    HB   VAL  14           HB       VAL  14   2.729  16.152   1.710
  115   HG11  VAL  14          HG11      VAL  14   4.805  15.177   0.736
  116   HG12  VAL  14          HG12      VAL  14   5.739  16.513   1.417
  117   HG13  VAL  14          HG13      VAL  14   4.526  16.831   0.175
  118   HG21  VAL  14          HG21      VAL  14   4.905  15.684   3.792
  119   HG22  VAL  14          HG22      VAL  14   3.987  14.422   2.968
  120   HG23  VAL  14          HG23      VAL  14   3.166  15.537   4.065
  121    H    PHE  15           HN       PHE  15   1.775  18.335   0.936
  122    HA   PHE  15           HA       PHE  15   3.333  19.843  -0.988
  123    HB2  PHE  15           HB2      PHE  15   0.377  19.105  -1.012
  124    HB3  PHE  15           HB1      PHE  15   1.267  19.806  -2.359
  125    HD1  PHE  15           HD2      PHE  15   3.264  18.457  -3.320
  126    HD2  PHE  15           HD1      PHE  15   0.319  16.734  -0.746
  127    HE1  PHE  15           HE2      PHE  15   3.901  16.208  -4.071
  128    HE2  PHE  15           HE1      PHE  15   0.978  14.489  -1.503
  129    HZ   PHE  15           HZ       PHE  15   2.768  14.224  -3.167
  130    H    ASP  16           HN       ASP  16   1.378  20.596   1.752
  131    HA   ASP  16           HA       ASP  16   0.954  22.531   2.841
  132    HB2  ASP  16           HB2      ASP  16   3.346  23.020   2.231
  133    HB3  ASP  16           HB1      ASP  16   2.788  23.820   0.771
  134    H    ASP  17           HN       ASP  17  -0.819  21.601   0.848
  135    HA   ASP  17           HA       ASP  17  -2.185  24.070  -0.011
  136    HB2  ASP  17           HB2      ASP  17  -0.919  23.313  -1.981
  137    HB3  ASP  17           HB1      ASP  17  -1.557  21.677  -1.804
  138    H    ASP  18           HN       ASP  18  -4.157  24.037   0.835
  139    HA   ASP  18           HA       ASP  18  -5.413  21.624   1.839
  140    HB2  ASP  18           HB2      ASP  18  -5.554  23.728   3.115
  141    HB3  ASP  18           HB1      ASP  18  -6.344  24.528   1.760
  142    H    SER  19           HN       SER  19  -5.441  23.267  -1.163
  143    HA   SER  19           HA       SER  19  -8.151  22.894  -1.989
  144    HB2  SER  19           HB2      SER  19  -5.739  23.133  -3.833
  145    HB3  SER  19           HB1      SER  19  -7.414  23.535  -4.212
  146    HG   SER  19           HG       SER  19  -5.489  24.969  -2.883
  147    H    ILE  20           HN       ILE  20  -5.470  20.761  -1.745
  148    HA   ILE  20           HA       ILE  20  -6.090  18.699  -3.544
  149    HB   ILE  20           HB       ILE  20  -4.844  18.488  -0.757
  150   HG12  ILE  20          HG12      ILE  20  -3.429  18.749  -3.453
  151   HG13  ILE  20          HG11      ILE  20  -3.629  20.064  -2.302
  152   HG21  ILE  20          HG21      ILE  20  -4.686  16.523  -3.072
  153   HG22  ILE  20          HG22      ILE  20  -5.559  16.276  -1.560
  154   HG23  ILE  20          HG23      ILE  20  -3.800  16.386  -1.552
  155   HD11  ILE  20          HD11      ILE  20  -2.065  17.529  -1.836
  156   HD12  ILE  20          HD12      ILE  20  -2.260  18.848  -0.676
  157   HD13  ILE  20          HD13      ILE  20  -1.407  19.124  -2.196
  158    H    VAL  21           HN       VAL  21  -8.069  17.737  -3.663
  159    HA   VAL  21           HA       VAL  21  -9.268  16.594  -1.212
  160    HB   VAL  21           HB       VAL  21 -10.800  17.463  -3.713
  161   HG11  VAL  21          HG11      VAL  21 -11.830  16.339  -1.073
  162   HG12  VAL  21          HG12      VAL  21 -11.823  15.493  -2.623
  163   HG13  VAL  21          HG13      VAL  21 -12.838  16.920  -2.402
  164   HG21  VAL  21          HG21      VAL  21 -11.821  19.219  -2.276
  165   HG22  VAL  21          HG22      VAL  21 -10.075  19.438  -2.419
  166   HG23  VAL  21          HG23      VAL  21 -10.759  18.743  -0.947
  167    H    LEU  22           HN       LEU  22  -8.928  14.472  -1.217
  168    HA   LEU  22           HA       LEU  22  -7.689  13.225  -3.508
  169    HB2  LEU  22           HB2      LEU  22  -8.278  12.163  -0.719
  170    HB3  LEU  22           HB1      LEU  22  -7.291  11.344  -1.927
  171    HG   LEU  22           HG       LEU  22  -6.631  14.048  -0.678
  172   HD11  LEU  22          HD11      LEU  22  -4.806  12.880   0.470
  173   HD12  LEU  22          HD12      LEU  22  -5.381  11.337  -0.165
  174   HD13  LEU  22          HD13      LEU  22  -6.382  12.260   0.960
  175   HD21  LEU  22          HD21      LEU  22  -5.772  13.892  -2.970
  176   HD22  LEU  22          HD22      LEU  22  -5.013  12.339  -2.610
  177   HD23  LEU  22          HD23      LEU  22  -4.446  13.808  -1.813
  178    H    THR  23           HN       THR  23  -8.433  11.634  -4.750
  179    HA   THR  23           HA       THR  23 -10.929  10.178  -4.088
  180    HB   THR  23           HB       THR  23 -11.425   9.995  -6.538
  181    HG1  THR  23           HG1      THR  23 -10.183  11.867  -7.717
  182   HG21  THR  23          HG21      THR  23 -11.261  12.885  -5.603
  183   HG22  THR  23          HG22      THR  23 -12.591  11.767  -5.289
  184   HG23  THR  23          HG23      THR  23 -12.248  12.287  -6.939
  185    H    ARG  24           HN       ARG  24 -10.948   8.123  -5.560
  186    HA   ARG  24           HA       ARG  24  -8.626   6.561  -5.122
  187    HB2  ARG  24           HB2      ARG  24 -10.998   5.973  -6.937
  188    HB3  ARG  24           HB1      ARG  24  -9.835   4.791  -6.340
  189    HG2  ARG  24           HG2      ARG  24 -10.616   5.134  -4.037
  190    HG3  ARG  24           HG1      ARG  24 -11.728   6.392  -4.580
  191    HD2  ARG  24           HD2      ARG  24 -12.879   4.669  -6.008
  192    HD3  ARG  24           HD1      ARG  24 -11.840   3.439  -5.285
  193    HE   ARG  24           HE       ARG  24 -13.250   4.937  -3.301
  194   HH11  ARG  24          HH11      ARG  24 -13.651   2.296  -5.599
  195   HH12  ARG  24          HH12      ARG  24 -14.989   1.604  -4.742
  196   HH21  ARG  24          HH21      ARG  24 -15.014   4.015  -2.202
  197   HH22  ARG  24          HH22      ARG  24 -15.760   2.578  -2.822
  198    H    GLU  25           HN       GLU  25  -9.292   8.825  -7.576
  199    HA   GLU  25           HA       GLU  25  -7.393   7.608  -9.488
  200    HB2  GLU  25           HB2      GLU  25  -8.689   8.814 -11.269
  201    HB3  GLU  25           HB1      GLU  25  -9.620   7.583 -10.420
  202    HG2  GLU  25           HG2      GLU  25 -10.604   9.403  -8.986
  203    HG3  GLU  25           HG1      GLU  25  -9.791  10.584 -10.012
  204    H    THR  26           HN       THR  26  -7.784  10.223  -7.336
  205    HA   THR  26           HA       THR  26  -6.246  12.241  -8.648
  206    HB   THR  26           HB       THR  26  -6.360  11.578  -5.658
  207    HG1  THR  26           HG1      THR  26  -8.175  12.656  -7.325
  208   HG21  THR  26          HG21      THR  26  -5.490  14.166  -7.012
  209   HG22  THR  26          HG22      THR  26  -4.427  13.048  -6.148
  210   HG23  THR  26          HG23      THR  26  -5.686  13.927  -5.276
  211    H    SER  27           HN       SER  27  -3.923  12.518  -8.700
  212    HA   SER  27           HA       SER  27  -2.110  10.573  -7.548
  213    HB2  SER  27           HB2      SER  27  -1.317   9.710  -9.783
  214    HB3  SER  27           HB1      SER  27  -2.975   9.228  -9.416
  215    HG   SER  27           HG       SER  27  -3.650  11.041 -10.736
  216    H    ALA  28           HN       ALA  28   0.108  10.857  -9.001
  217    HA   ALA  28           HA       ALA  28   1.229  13.335  -8.512
  218    HB1  ALA  28           HB1      ALA  28   2.489  11.253  -8.864
  219    HB2  ALA  28           HB2      ALA  28   3.095  12.551  -9.894
  220    HB3  ALA  28           HB3      ALA  28   2.072  11.285 -10.581
  221    H    ASN  29           HN       ASN  29  -0.593  12.284 -11.298
  222    HA   ASN  29           HA       ASN  29   0.067  14.290 -13.174
  223    HB2  ASN  29           HB2      ASN  29  -0.949  12.286 -13.963
  224    HB3  ASN  29           HB1      ASN  29  -2.252  12.372 -12.788
  225   HD21  ASN  29          HD21      ASN  29  -4.087  13.567 -13.263
  226   HD22  ASN  29          HD22      ASN  29  -4.389  14.266 -14.814
  227    H    ASP  30           HN       ASP  30  -2.275  14.151 -10.537
  228    HA   ASP  30           HA       ASP  30  -3.871  16.389 -11.488
  229    HB2  ASP  30           HB2      ASP  30  -4.092  14.709  -8.950
  230    HB3  ASP  30           HB1      ASP  30  -5.296  15.874  -9.511
  231    H    ILE  31           HN       ILE  31  -1.132  16.079  -9.460
  232    HA   ILE  31           HA       ILE  31  -1.566  18.781  -8.295
  233    HB   ILE  31           HB       ILE  31  -0.062  16.421  -7.046
  234   HG12  ILE  31          HG12      ILE  31  -2.551  17.919  -6.086
  235   HG13  ILE  31          HG11      ILE  31  -2.543  16.307  -6.793
  236   HG21  ILE  31          HG21      ILE  31   0.437  17.910  -5.118
  237   HG22  ILE  31          HG22      ILE  31  -0.266  19.275  -5.985
  238   HG23  ILE  31          HG23      ILE  31   1.191  18.495  -6.600
  239   HD11  ILE  31          HD11      ILE  31  -1.296  17.099  -4.153
  240   HD12  ILE  31          HD12      ILE  31  -1.294  15.475  -4.849
  241   HD13  ILE  31          HD13      ILE  31  -2.813  16.238  -4.390
  242    H    ASP  32           HN       ASP  32  -0.345  20.134  -9.467
  243    HA   ASP  32           HA       ASP  32   1.714  19.396 -11.223
  244    HB2  ASP  32           HB2      ASP  32   0.367  21.442 -11.528
  245    HB3  ASP  32           HB1      ASP  32   1.040  22.127 -10.055
  246    H    ALA  33           HN       ALA  33   1.862  20.630  -7.919
  247    HA   ALA  33           HA       ALA  33   4.717  20.988  -7.844
  248    HB1  ALA  33           HB1      ALA  33   4.388  21.438  -5.455
  249    HB2  ALA  33           HB2      ALA  33   2.723  20.854  -5.558
  250    HB3  ALA  33           HB3      ALA  33   3.205  22.311  -6.430
  251    H    TRP  34           HN       TRP  34   2.912  18.135  -7.839
  252    HA   TRP  34           HA       TRP  34   4.414  16.582  -5.925
  253    HB2  TRP  34           HB2      TRP  34   1.994  16.180  -6.644
  254    HB3  TRP  34           HB1      TRP  34   2.605  15.580  -8.173
  255    HD1  TRP  34           HD1      TRP  34   5.009  13.735  -6.752
  256    HE1  TRP  34           HE1      TRP  34   4.262  11.541  -5.654
  257    HE3  TRP  34           HE3      TRP  34   0.038  14.749  -6.113
  258    HZ2  TRP  34           HZ2      TRP  34   1.938  10.382  -4.656
  259    HZ3  TRP  34           HZ3      TRP  34  -1.385  13.031  -5.085
  260    HH2  TRP  34           HH2      TRP  34  -0.449  10.886  -4.374
  261    H    ASP  35           HN       ASP  35   6.579  17.294  -6.926
  262    HA   ASP  35           HA       ASP  35   7.593  15.754  -9.112
  263    HB2  ASP  35           HB2      ASP  35   8.963  17.042  -6.710
  264    HB3  ASP  35           HB1      ASP  35   9.856  16.236  -7.999
  265    H    SER  36           HN       SER  36   9.356  14.090  -8.775
  266    HA   SER  36           HA       SER  36   8.666  11.788  -7.371
  267    HB2  SER  36           HB2      SER  36  11.590  12.381  -7.893
  268    HB3  SER  36           HB1      SER  36  10.672  10.904  -8.221
  269    H    LEU  37           HN       LEU  37  10.653  14.488  -6.539
  270    HA   LEU  37           HA       LEU  37  11.778  13.655  -4.104
  271    HB2  LEU  37           HB2      LEU  37  11.140  16.453  -5.139
  272    HB3  LEU  37           HB1      LEU  37  12.095  16.138  -3.704
  273    HG   LEU  37           HG       LEU  37  13.582  16.728  -5.491
  274   HD11  LEU  37          HD11      LEU  37  13.832  13.748  -5.048
  275   HD12  LEU  37          HD12      LEU  37  14.430  15.022  -3.983
  276   HD13  LEU  37          HD13      LEU  37  15.105  14.843  -5.599
  277   HD21  LEU  37          HD21      LEU  37  12.443  14.504  -7.203
  278   HD22  LEU  37          HD22      LEU  37  13.788  15.571  -7.623
  279   HD23  LEU  37          HD23      LEU  37  12.167  16.233  -7.427
  280    H    SER  38           HN       SER  38   8.825  15.451  -4.892
  281    HA   SER  38           HA       SER  38   7.899  15.924  -2.238
  282    HB2  SER  38           HB2      SER  38   6.287  15.852  -4.825
  283    HB3  SER  38           HB1      SER  38   5.856  16.699  -3.338
  284    HG   SER  38           HG       SER  38   6.736  18.211  -4.676
  285    H    HIS  39           HN       HIS  39   7.331  13.403  -4.637
  286    HA   HIS  39           HA       HIS  39   5.346  11.857  -3.409
  287    HB2  HIS  39           HB2      HIS  39   6.141  11.566  -5.771
  288    HB3  HIS  39           HB1      HIS  39   7.651  10.891  -5.176
  289    HD2  HIS  39           HD2      HIS  39   7.601   8.189  -4.725
  290    HE1  HIS  39           HE1      HIS  39   3.442   7.665  -5.301
  291    HE2  HIS  39           HE2      HIS  39   5.680   6.496  -5.123
  292    H    MET  40           HN       MET  40   8.875  11.775  -3.101
  293    HA   MET  40           HA       MET  40   9.000   9.570  -1.302
  294    HB2  MET  40           HB2      MET  40  11.028  11.732  -1.972
  295    HB3  MET  40           HB1      MET  40  11.372  10.389  -0.884
  296    HG2  MET  40           HG2      MET  40  10.626  10.150  -3.809
  297    HG3  MET  40           HG1      MET  40  12.239   9.948  -3.121
  298    HE1  MET  40           HE1      MET  40  11.641   8.272  -0.437
  299    HE2  MET  40           HE2      MET  40  12.947   7.900  -1.563
  300    HE3  MET  40           HE3      MET  40  11.836   6.630  -1.048
  301    H    ASN  41           HN       ASN  41   8.880  13.119  -0.826
  302    HA   ASN  41           HA       ASN  41   9.175  13.208   1.987
  303    HB2  ASN  41           HB2      ASN  41   7.650  15.039   0.090
  304    HB3  ASN  41           HB1      ASN  41   7.651  15.326   1.826
  305   HD21  ASN  41          HD21      ASN  41   9.425  15.631  -1.096
  306   HD22  ASN  41          HD22      ASN  41  10.785  16.449  -0.423
  307    H    LEU  42           HN       LEU  42   6.341  12.668  -0.055
  308    HA   LEU  42           HA       LEU  42   4.345  12.714   1.928
  309    HB2  LEU  42           HB2      LEU  42   4.165  12.894  -0.649
  310    HB3  LEU  42           HB1      LEU  42   4.239  11.147  -0.687
  311    HG   LEU  42           HG       LEU  42   1.927  12.109  -0.922
  312   HD11  LEU  42          HD11      LEU  42   2.189   9.806  -0.162
  313   HD12  LEU  42          HD12      LEU  42   0.782  10.566   0.572
  314   HD13  LEU  42          HD13      LEU  42   2.256  10.348   1.517
  315   HD21  LEU  42          HD21      LEU  42   0.775  13.051   1.023
  316   HD22  LEU  42          HD22      LEU  42   2.166  14.034   0.582
  317   HD23  LEU  42          HD23      LEU  42   2.258  12.955   1.976
  318    H    ILE  43           HN       ILE  43   6.089   9.981   0.444
  319    HA   ILE  43           HA       ILE  43   4.725   7.933   1.857
  320    HB   ILE  43           HB       ILE  43   7.142   8.024   0.060
  321   HG12  ILE  43          HG12      ILE  43   5.883   6.279  -1.208
  322   HG13  ILE  43          HG11      ILE  43   4.649   6.243   0.040
  323   HG21  ILE  43          HG21      ILE  43   7.633   5.602   0.375
  324   HG22  ILE  43          HG22      ILE  43   6.548   5.582   1.768
  325   HG23  ILE  43          HG23      ILE  43   8.012   6.565   1.806
  326   HD11  ILE  43          HD11      ILE  43   3.888   7.449  -1.885
  327   HD12  ILE  43          HD12      ILE  43   5.275   8.534  -1.805
  328   HD13  ILE  43          HD13      ILE  43   4.059   8.560  -0.525
  329    H    VAL  44           HN       VAL  44   7.911   9.548   2.491
  330    HA   VAL  44           HA       VAL  44   8.595   7.901   4.695
  331    HB   VAL  44           HB       VAL  44  10.303   9.540   5.295
  332   HG11  VAL  44          HG11      VAL  44  11.613   9.560   3.203
  333   HG12  VAL  44          HG12      VAL  44  10.165   9.108   2.303
  334   HG13  VAL  44          HG13      VAL  44  10.847   7.991   3.489
  335   HG21  VAL  44          HG21      VAL  44   9.093  11.382   3.206
  336   HG22  VAL  44          HG22      VAL  44  10.602  11.660   4.076
  337   HG23  VAL  44          HG23      VAL  44   9.070  11.646   4.950
  338    H    SER  45           HN       SER  45   6.621  10.798   4.458
  339    HA   SER  45           HA       SER  45   6.297  11.374   7.212
  340    HB2  SER  45           HB2      SER  45   4.356  11.808   4.904
  341    HB3  SER  45           HB1      SER  45   4.165  12.505   6.515
  342    HG   SER  45           HG       SER  45   6.550  12.885   5.079
  343    H    LEU  46           HN       LEU  46   4.514   9.180   5.026
  344    HA   LEU  46           HA       LEU  46   2.557   8.331   6.913
  345    HB2  LEU  46           HB2      LEU  46   3.632   6.936   4.434
  346    HB3  LEU  46           HB1      LEU  46   2.196   6.435   5.319
  347    HG   LEU  46           HG       LEU  46   2.498   9.126   3.916
  348   HD11  LEU  46          HD11      LEU  46   0.938   8.252   2.223
  349   HD12  LEU  46          HD12      LEU  46   0.976   6.664   2.997
  350   HD13  LEU  46          HD13      LEU  46   2.439   7.325   2.262
  351   HD21  LEU  46          HD21      LEU  46   0.080   9.359   4.312
  352   HD22  LEU  46          HD22      LEU  46   0.967   9.224   5.827
  353   HD23  LEU  46          HD23      LEU  46   0.069   7.835   5.207
  354    H    GLU  47           HN       GLU  47   5.781   7.174   6.117
  355    HA   GLU  47           HA       GLU  47   5.872   4.723   7.467
  356    HB2  GLU  47           HB2      GLU  47   8.129   6.744   7.079
  357    HB3  GLU  47           HB1      GLU  47   8.349   5.045   7.495
  358    HG2  GLU  47           HG2      GLU  47   7.036   5.986   4.930
  359    HG3  GLU  47           HG1      GLU  47   8.766   5.697   5.080
  360    H    VAL  48           HN       VAL  48   7.005   7.922   8.613
  361    HA   VAL  48           HA       VAL  48   7.653   7.005  11.216
  362    HB   VAL  48           HB       VAL  48   8.030   9.368  11.798
  363   HG11  VAL  48          HG11      VAL  48   9.817   9.850  10.152
  364   HG12  VAL  48          HG12      VAL  48   9.146   8.622   9.072
  365   HG13  VAL  48          HG13      VAL  48   9.810   8.153  10.640
  366   HG21  VAL  48          HG21      VAL  48   6.162  10.444  10.593
  367   HG22  VAL  48          HG22      VAL  48   6.918  10.059   9.046
  368   HG23  VAL  48          HG23      VAL  48   7.698  11.195  10.153
  369    H    HIS  49           HN       HIS  49   4.794   8.688   9.927
  370    HA   HIS  49           HA       HIS  49   3.477   9.222  12.349
  371    HB2  HIS  49           HB2      HIS  49   2.587   9.017   9.473
  372    HB3  HIS  49           HB1      HIS  49   1.335   9.023  10.705
  373    HD1  HIS  49           HD1      HIS  49   0.758  11.213  11.792
  374    HD2  HIS  49           HD2      HIS  49   4.079  11.485   9.310
  375    HE1  HIS  49           HE1      HIS  49   1.207  13.670  11.534
  376    HE2  HIS  49           HE2      HIS  49   3.300  13.806  10.139
  377    H    TYR  50           HN       TYR  50   2.901   6.515  10.095
  378    HA   TYR  50           HA       TYR  50   1.041   5.276  12.006
  379    HB2  TYR  50           HB2      TYR  50   1.583   4.637   9.069
  380    HB3  TYR  50           HB1      TYR  50   0.317   3.905  10.051
  381    HD1  TYR  50           HD1      TYR  50  -1.670   5.272  10.768
  382    HD2  TYR  50           HD2      TYR  50   1.311   6.900   8.170
  383    HE1  TYR  50           HE1      TYR  50  -3.165   7.140  10.212
  384    HE2  TYR  50           HE2      TYR  50  -0.194   8.763   7.617
  385    HH   TYR  50           HH       TYR  50  -3.115   9.342   9.369
  386    H    LYS  51           HN       LYS  51   4.295   5.050  11.452
  387    HA   LYS  51           HA       LYS  51   5.946   3.610  11.960
  388    HB2  LYS  51           HB2      LYS  51   3.737   2.519  13.721
  389    HB3  LYS  51           HB1      LYS  51   5.266   1.664  13.646
  390    HG2  LYS  51           HG2      LYS  51   5.209   3.142  15.590
  391    HG3  LYS  51           HG1      LYS  51   6.459   3.655  14.450
  392    HD2  LYS  51           HD2      LYS  51   4.871   5.414  13.592
  393    HD3  LYS  51           HD1      LYS  51   3.718   4.932  14.842
  394    HE2  LYS  51           HE2      LYS  51   5.308   5.605  16.591
  395    HE3  LYS  51           HE1      LYS  51   6.519   5.996  15.367
  396    HZ1  LYS  51           HZ1      LYS  51   5.407   7.964  16.164
  397    HZ2  LYS  51           HZ2      LYS  51   3.899   7.345  15.713
  398    HZ3  LYS  51           HZ3      LYS  51   5.049   7.718  14.528
  399    H    ILE  52           HN       ILE  52   4.707   3.237   9.508
  400    HA   ILE  52           HA       ILE  52   4.501   0.304   9.114
  401    HB   ILE  52           HB       ILE  52   3.206   0.799   7.055
  402   HG12  ILE  52          HG12      ILE  52   3.386   3.726   7.942
  403   HG13  ILE  52          HG11      ILE  52   4.139   3.043   6.503
  404   HG21  ILE  52          HG21      ILE  52   2.076   2.101   9.561
  405   HG22  ILE  52          HG22      ILE  52   2.024   0.383   9.165
  406   HG23  ILE  52          HG23      ILE  52   1.124   1.539   8.183
  407   HD11  ILE  52          HD11      ILE  52   2.162   4.302   5.923
  408   HD12  ILE  52          HD12      ILE  52   1.179   3.336   7.020
  409   HD13  ILE  52          HD13      ILE  52   1.887   2.592   5.585
  410    H    LYS  53           HN       LYS  53   5.052  -0.153   6.606
  411    HA   LYS  53           HA       LYS  53   7.581   1.152   5.851
  412    HB2  LYS  53           HB2      LYS  53   8.059  -0.790   7.435
  413    HB3  LYS  53           HB1      LYS  53   7.360  -1.874   6.249
  414    HG2  LYS  53           HG2      LYS  53   9.766  -0.122   5.634
  415    HG3  LYS  53           HG1      LYS  53   9.926  -1.714   6.371
  416    HD2  LYS  53           HD2      LYS  53   8.735  -1.122   3.623
  417    HD3  LYS  53           HD1      LYS  53  10.324  -1.823   3.933
  418    HE2  LYS  53           HE2      LYS  53   7.659  -3.106   4.655
  419    HE3  LYS  53           HE1      LYS  53   8.657  -3.536   3.265
  420    HZ1  LYS  53           HZ1      LYS  53  10.378  -4.271   4.723
  421    HZ2  LYS  53           HZ2      LYS  53   8.935  -5.032   5.168
  422    HZ3  LYS  53           HZ3      LYS  53   9.533  -3.747   6.091
  423    H    PHE  54           HN       PHE  54   6.924   1.836   3.871
  424    HA   PHE  54           HA       PHE  54   5.595   0.097   1.951
  425    HB2  PHE  54           HB2      PHE  54   6.852   2.866   1.622
  426    HB3  PHE  54           HB1      PHE  54   6.032   1.997   0.332
  427    HD1  PHE  54           HD2      PHE  54   3.543   1.299   0.788
  428    HD2  PHE  54           HD1      PHE  54   5.603   4.332   2.977
  429    HE1  PHE  54           HE2      PHE  54   1.390   2.275   1.479
  430    HE2  PHE  54           HE1      PHE  54   3.454   5.289   3.651
  431    HZ   PHE  54           HZ       PHE  54   1.349   4.274   2.909
  432    H    ALA  55           HN       ALA  55   6.608  -1.186   0.554
  433    HA   ALA  55           HA       ALA  55   9.524  -1.185   0.246
  434    HB1  ALA  55           HB1      ALA  55   7.398  -3.046  -0.916
  435    HB2  ALA  55           HB2      ALA  55   8.392  -3.375   0.503
  436    HB3  ALA  55           HB3      ALA  55   9.144  -3.247  -1.085
  437    H    LEU  56           HN       LEU  56  10.512  -0.577  -1.714
  438    HA   LEU  56           HA       LEU  56   9.368   1.402  -3.294
  439    HB2  LEU  56           HB2      LEU  56  11.829   0.950  -2.931
  440    HB3  LEU  56           HB1      LEU  56  11.721  -0.387  -4.051
  441    HG   LEU  56           HG       LEU  56  12.736   1.840  -4.899
  442   HD11  LEU  56          HD11      LEU  56  10.528   0.615  -6.562
  443   HD12  LEU  56          HD12      LEU  56  12.192   0.039  -6.442
  444   HD13  LEU  56          HD13      LEU  56  11.859   1.612  -7.162
  445   HD21  LEU  56          HD21      LEU  56   9.824   2.678  -5.057
  446   HD22  LEU  56          HD22      LEU  56  11.213   3.559  -5.703
  447   HD23  LEU  56          HD23      LEU  56  11.040   3.349  -3.963
  448    H    GLY  57           HN       GLY  57   9.521  -2.083  -3.823
  449    HA2  GLY  57           HA2      GLY  57   8.519  -2.265  -6.448
  450    HA3  GLY  57           HA1      GLY  57   8.366  -3.504  -5.210
  451    H    GLU  58           HN       GLU  58   6.815  -2.103  -3.312
  452    HA   GLU  58           HA       GLU  58   4.151  -2.344  -4.271
  453    HB2  GLU  58           HB2      GLU  58   5.128  -0.936  -1.741
  454    HB3  GLU  58           HB1      GLU  58   3.439  -1.315  -2.103
  455    HG2  GLU  58           HG2      GLU  58   4.035  -3.733  -2.126
  456    HG3  GLU  58           HG1      GLU  58   5.682  -3.312  -1.653
  457    H    LEU  59           HN       LEU  59   6.305   0.439  -3.839
  458    HA   LEU  59           HA       LEU  59   4.392   2.485  -4.318
  459    HB2  LEU  59           HB2      LEU  59   7.409   2.555  -4.706
  460    HB3  LEU  59           HB1      LEU  59   6.358   3.965  -4.655
  461    HG   LEU  59           HG       LEU  59   6.884   2.049  -2.341
  462   HD11  LEU  59          HD11      LEU  59   8.023   3.937  -1.268
  463   HD12  LEU  59          HD12      LEU  59   7.760   4.933  -2.701
  464   HD13  LEU  59          HD13      LEU  59   8.799   3.509  -2.793
  465   HD21  LEU  59          HD21      LEU  59   5.552   3.604  -0.960
  466   HD22  LEU  59          HD22      LEU  59   4.582   2.866  -2.230
  467   HD23  LEU  59          HD23      LEU  59   5.135   4.534  -2.402
  468    H    GLN  60           HN       GLN  60   6.521   0.639  -6.480
  469    HA   GLN  60           HA       GLN  60   5.809   1.944  -8.919
  470    HB2  GLN  60           HB2      GLN  60   6.697  -0.944  -8.544
  471    HB3  GLN  60           HB1      GLN  60   6.749  -0.029 -10.048
  472    HG2  GLN  60           HG2      GLN  60   8.373   0.591  -7.563
  473    HG3  GLN  60           HG1      GLN  60   8.961  -0.298  -8.962
  474   HE21  GLN  60          HE21      GLN  60  10.628   1.162  -9.339
  475   HE22  GLN  60          HE22      GLN  60  10.357   2.756  -9.951
  476    H    LYS  61           HN       LYS  61   4.170  -0.426  -6.965
  477    HA   LYS  61           HA       LYS  61   2.172  -1.105  -8.984
  478    HB2  LYS  61           HB2      LYS  61   2.617  -1.913  -6.089
  479    HB3  LYS  61           HB1      LYS  61   1.105  -2.300  -6.908
  480    HG2  LYS  61           HG2      LYS  61   3.863  -3.176  -7.841
  481    HG3  LYS  61           HG1      LYS  61   2.724  -4.179  -6.929
  482    HD2  LYS  61           HD2      LYS  61   1.077  -3.973  -8.785
  483    HD3  LYS  61           HD1      LYS  61   2.231  -2.992  -9.695
  484    HE2  LYS  61           HE2      LYS  61   3.781  -4.939  -9.759
  485    HE3  LYS  61           HE1      LYS  61   2.577  -5.903  -8.891
  486    HZ1  LYS  61           HZ1      LYS  61   2.174  -4.636 -11.551
  487    HZ2  LYS  61           HZ2      LYS  61   1.044  -5.580 -10.719
  488    HZ3  LYS  61           HZ3      LYS  61   2.479  -6.275 -11.275
  489    H    LEU  62           HN       LEU  62   2.662   1.588  -7.082
  490    HA   LEU  62           HA       LEU  62  -0.226   2.158  -6.723
  491    HB2  LEU  62           HB2      LEU  62   2.130   3.786  -5.665
  492    HB3  LEU  62           HB1      LEU  62   0.436   3.947  -5.220
  493    HG   LEU  62           HG       LEU  62   2.287   1.647  -4.511
  494   HD11  LEU  62          HD11      LEU  62   1.945   2.344  -2.180
  495   HD12  LEU  62          HD12      LEU  62   0.982   3.718  -2.732
  496   HD13  LEU  62          HD13      LEU  62   2.693   3.611  -3.151
  497   HD21  LEU  62          HD21      LEU  62   0.421   0.669  -3.231
  498   HD22  LEU  62          HD22      LEU  62   0.075   0.727  -4.955
  499   HD23  LEU  62          HD23      LEU  62  -0.664   1.904  -3.872
  500    H    LYS  63           HN       LYS  63  -1.109   3.187  -8.454
  501    HA   LYS  63           HA       LYS  63   0.521   5.052 -10.069
  502    HB2  LYS  63           HB2      LYS  63  -0.750   3.097 -11.148
  503    HB3  LYS  63           HB1      LYS  63  -2.249   3.922 -10.720
  504    HG2  LYS  63           HG2      LYS  63  -0.123   5.287 -12.399
  505    HG3  LYS  63           HG1      LYS  63  -1.262   4.168 -13.141
  506    HD2  LYS  63           HD2      LYS  63  -3.151   5.583 -12.508
  507    HD3  LYS  63           HD1      LYS  63  -2.099   6.643 -11.573
  508    HE2  LYS  63           HE2      LYS  63  -2.637   7.701 -13.695
  509    HE3  LYS  63           HE1      LYS  63  -0.922   7.299 -13.660
  510    HZ1  LYS  63           HZ1      LYS  63  -3.057   5.815 -15.071
  511    HZ2  LYS  63           HZ2      LYS  63  -1.445   5.313 -14.967
  512    HZ3  LYS  63           HZ3      LYS  63  -1.833   6.750 -15.769
  513    H    ASN  64           HN       ASN  64  -2.168   4.874  -7.883
  514    HA   ASN  64           HA       ASN  64  -2.523   7.799  -8.019
  515    HB2  ASN  64           HB2      ASN  64  -4.829   5.787  -7.717
  516    HB3  ASN  64           HB1      ASN  64  -4.974   7.544  -7.733
  517   HD21  ASN  64          HD21      ASN  64  -4.559   4.697  -9.666
  518   HD22  ASN  64          HD22      ASN  64  -4.785   5.464 -11.200
  519    H    VAL  65           HN       VAL  65  -3.622   8.649  -6.163
  520    HA   VAL  65           HA       VAL  65  -2.692   7.969  -3.624
  521    HB   VAL  65           HB       VAL  65  -5.198   9.576  -4.343
  522   HG11  VAL  65          HG11      VAL  65  -5.180   8.936  -1.958
  523   HG12  VAL  65          HG12      VAL  65  -4.909  10.668  -2.133
  524   HG13  VAL  65          HG13      VAL  65  -3.553   9.598  -1.778
  525   HG21  VAL  65          HG21      VAL  65  -3.188  10.479  -5.460
  526   HG22  VAL  65          HG22      VAL  65  -2.339  10.541  -3.912
  527   HG23  VAL  65          HG23      VAL  65  -3.743  11.575  -4.187
  528    H    GLY  66           HN       GLY  66  -5.529   6.913  -5.439
  529    HA2  GLY  66           HA2      GLY  66  -6.985   5.669  -3.330
  530    HA3  GLY  66           HA1      GLY  66  -7.142   5.325  -5.047
  531    H    ASP  67           HN       ASP  67  -4.525   4.480  -5.605
  532    HA   ASP  67           HA       ASP  67  -4.393   1.795  -4.690
  533    HB2  ASP  67           HB2      ASP  67  -2.204   3.509  -5.974
  534    HB3  ASP  67           HB1      ASP  67  -2.113   1.762  -5.749
  535    H    LEU  68           HN       LEU  68  -2.526   4.719  -3.871
  536    HA   LEU  68           HA       LEU  68  -0.813   3.646  -1.930
  537    HB2  LEU  68           HB2      LEU  68  -0.401   5.801  -2.969
  538    HB3  LEU  68           HB1      LEU  68  -1.906   6.450  -2.352
  539    HG   LEU  68           HG       LEU  68  -0.979   6.365  -0.026
  540   HD11  LEU  68          HD11      LEU  68   1.621   5.527  -1.354
  541   HD12  LEU  68          HD12      LEU  68   0.638   4.535  -0.271
  542   HD13  LEU  68          HD13      LEU  68   1.421   5.991   0.339
  543   HD21  LEU  68          HD21      LEU  68   0.562   8.261  -0.268
  544   HD22  LEU  68          HD22      LEU  68  -0.832   8.441  -1.330
  545   HD23  LEU  68          HD23      LEU  68   0.723   7.930  -1.997
  546    H    ALA  69           HN       ALA  69  -4.086   4.832  -1.725
  547    HA   ALA  69           HA       ALA  69  -4.359   5.058   1.094
  548    HB1  ALA  69           HB1      ALA  69  -6.744   5.336   0.596
  549    HB2  ALA  69           HB2      ALA  69  -6.495   4.748  -1.046
  550    HB3  ALA  69           HB3      ALA  69  -5.773   6.271  -0.534
  551    H    ASP  70           HN       ASP  70  -5.305   2.678  -1.298
  552    HA   ASP  70           HA       ASP  70  -6.350   0.642   0.303
  553    HB2  ASP  70           HB2      ASP  70  -6.546   0.640  -2.165
  554    HB3  ASP  70           HB1      ASP  70  -4.804   0.459  -2.324
  555    H    LEU  71           HN       LEU  71  -3.018   1.422  -0.592
  556    HA   LEU  71           HA       LEU  71  -1.838  -0.969   0.425
  557    HB2  LEU  71           HB2      LEU  71  -0.990   0.855  -1.360
  558    HB3  LEU  71           HB1      LEU  71  -0.205   1.549   0.039
  559    HG   LEU  71           HG       LEU  71   1.338   0.139  -1.274
  560   HD11  LEU  71          HD11      LEU  71   2.268  -1.249   0.479
  561   HD12  LEU  71          HD12      LEU  71   0.760  -1.146   1.393
  562   HD13  LEU  71          HD13      LEU  71   1.730   0.298   1.121
  563   HD21  LEU  71          HD21      LEU  71  -0.258  -1.440  -2.240
  564   HD22  LEU  71          HD22      LEU  71  -0.491  -2.201  -0.662
  565   HD23  LEU  71          HD23      LEU  71   1.082  -2.284  -1.464
  566    H    VAL  72           HN       VAL  72  -2.101   2.376   1.740
  567    HA   VAL  72           HA       VAL  72  -0.862   2.008   4.226
  568    HB   VAL  72           HB       VAL  72  -3.224   3.825   3.510
  569   HG11  VAL  72          HG11      VAL  72  -2.623   5.173   5.519
  570   HG12  VAL  72          HG12      VAL  72  -1.417   3.963   5.966
  571   HG13  VAL  72          HG13      VAL  72  -3.130   3.540   5.965
  572   HG21  VAL  72          HG21      VAL  72  -1.161   4.283   2.206
  573   HG22  VAL  72          HG22      VAL  72  -0.255   4.492   3.704
  574   HG23  VAL  72          HG23      VAL  72  -1.553   5.615   3.293
  575    H    ASP  73           HN       ASP  73  -4.173   1.390   3.169
  576    HA   ASP  73           HA       ASP  73  -5.356   0.618   5.615
  577    HB2  ASP  73           HB2      ASP  73  -6.670   1.238   3.637
  578    HB3  ASP  73           HB1      ASP  73  -6.022  -0.121   2.732
  579    H    LYS  74           HN       LYS  74  -3.560  -1.172   3.188
  580    HA   LYS  74           HA       LYS  74  -3.914  -3.811   4.242
  581    HB2  LYS  74           HB2      LYS  74  -1.626  -2.772   2.500
  582    HB3  LYS  74           HB1      LYS  74  -1.952  -4.473   2.844
  583    HG2  LYS  74           HG2      LYS  74  -3.774  -2.575   1.343
  584    HG3  LYS  74           HG1      LYS  74  -2.773  -3.833   0.625
  585    HD2  LYS  74           HD2      LYS  74  -4.161  -5.568   1.421
  586    HD3  LYS  74           HD1      LYS  74  -4.854  -4.576   2.702
  587    HE2  LYS  74           HE2      LYS  74  -5.408  -4.178  -0.260
  588    HE3  LYS  74           HE1      LYS  74  -6.463  -5.040   0.864
  589    HZ1  LYS  74           HZ1      LYS  74  -6.740  -3.027   2.136
  590    HZ2  LYS  74           HZ2      LYS  74  -7.138  -2.726   0.517
  591    HZ3  LYS  74           HZ3      LYS  74  -5.658  -2.198   1.136
  592    H    LYS  75           HN       LYS  75  -1.518  -1.259   4.804
  593    HA   LYS  75           HA       LYS  75   0.252  -2.759   6.452
  594    HB2  LYS  75           HB2      LYS  75  -0.194   0.250   6.240
  595    HB3  LYS  75           HB1      LYS  75   1.147  -0.504   7.098
  596    HG2  LYS  75           HG2      LYS  75   0.617  -0.680   4.118
  597    HG3  LYS  75           HG1      LYS  75   1.834   0.333   4.900
  598    HD2  LYS  75           HD2      LYS  75   3.043  -1.647   5.679
  599    HD3  LYS  75           HD1      LYS  75   1.785  -2.711   5.036
  600    HE2  LYS  75           HE2      LYS  75   2.315  -1.900   2.746
  601    HE3  LYS  75           HE1      LYS  75   3.603  -0.897   3.414
  602    HZ1  LYS  75           HZ1      LYS  75   4.709  -2.885   4.169
  603    HZ2  LYS  75           HZ2      LYS  75   4.421  -2.960   2.505
  604    HZ3  LYS  75           HZ3      LYS  75   3.457  -3.850   3.566
  605    H    LEU  76           HN       LEU  76  -2.475  -0.593   7.116
  606    HA   LEU  76           HA       LEU  76  -2.318  -0.660   9.950
  607    HB2  LEU  76           HB2      LEU  76  -4.681  -0.007   8.152
  608    HB3  LEU  76           HB1      LEU  76  -4.626   0.285   9.887
  609    HG   LEU  76           HG       LEU  76  -2.859   1.634   7.797
  610   HD11  LEU  76          HD11      LEU  76  -5.144   2.777   9.428
  611   HD12  LEU  76          HD12      LEU  76  -5.166   2.425   7.697
  612   HD13  LEU  76          HD13      LEU  76  -4.099   3.680   8.324
  613   HD21  LEU  76          HD21      LEU  76  -2.949   2.119  10.801
  614   HD22  LEU  76          HD22      LEU  76  -2.028   3.064   9.626
  615   HD23  LEU  76          HD23      LEU  76  -1.623   1.374   9.904
  616    H    ALA  77           HN       ALA  77  -3.868  -2.728   7.548
  617    HA   ALA  77           HA       ALA  77  -5.363  -4.399   9.288
  618    HB1  ALA  77           HB1      ALA  77  -5.660  -4.397   6.840
  619    HB2  ALA  77           HB2      ALA  77  -5.316  -6.026   7.426
  620    HB3  ALA  77           HB3      ALA  77  -4.049  -5.086   6.630
  621    H    ARG  78           HN       ARG  78  -1.982  -4.479   8.198
  622    HA   ARG  78           HA       ARG  78  -1.318  -6.915   9.589
  623    HB2  ARG  78           HB2      ARG  78   0.656  -4.850   8.541
  624    HB3  ARG  78           HB1      ARG  78   0.980  -6.540   8.918
  625    HG2  ARG  78           HG2      ARG  78  -0.582  -5.412   6.588
  626    HG3  ARG  78           HG1      ARG  78   0.906  -6.350   6.542
  627    HD2  ARG  78           HD2      ARG  78  -1.811  -7.410   7.412
  628    HD3  ARG  78           HD1      ARG  78  -1.092  -7.643   5.817
  629    HE   ARG  78           HE       ARG  78   0.734  -8.619   7.689
  630   HH11  ARG  78          HH11      ARG  78  -2.525  -9.440   6.615
  631   HH12  ARG  78          HH12      ARG  78  -2.352 -11.119   7.014
  632   HH21  ARG  78          HH21      ARG  78   0.924 -10.819   8.194
  633   HH22  ARG  78          HH22      ARG  78  -0.404 -11.897   7.902
  634    H    LYS  79           HN       LYS  79  -1.564  -3.601  10.511
  635    HA   LYS  79           HA       LYS  79   0.021  -3.734  12.897
  636    HB2  LYS  79           HB2      LYS  79  -2.062  -1.815  11.834
  637    HB3  LYS  79           HB1      LYS  79  -1.532  -1.673  13.503
  638    HG2  LYS  79           HG2      LYS  79   0.380  -1.600  11.137
  639    HG3  LYS  79           HG1      LYS  79  -0.332  -0.159  11.877
  640    HD2  LYS  79           HD2      LYS  79   0.718  -0.701  14.031
  641    HD3  LYS  79           HD1      LYS  79   1.370  -2.203  13.366
  642    HE2  LYS  79           HE2      LYS  79   2.105   0.582  12.393
  643    HE3  LYS  79           HE1      LYS  79   3.049  -0.367  13.539
  644    HZ1  LYS  79           HZ1      LYS  79   2.488  -1.045  10.715
  645    HZ2  LYS  79           HZ2      LYS  79   3.234  -2.104  11.801
  646    HZ3  LYS  79           HZ3      LYS  79   3.982  -0.641  11.393
  647    H    LEU  80           HN       LEU  80  -3.286  -4.605  12.070
  648    HA   LEU  80           HA       LEU  80  -3.946  -5.211  14.872
  649    HB2  LEU  80           HB2      LEU  80  -5.570  -5.125  12.314
  650    HB3  LEU  80           HB1      LEU  80  -6.190  -5.978  13.714
  651    HG   LEU  80           HG       LEU  80  -7.173  -3.753  13.621
  652   HD11  LEU  80          HD11      LEU  80  -6.649  -2.910  15.854
  653   HD12  LEU  80          HD12      LEU  80  -5.185  -3.898  15.900
  654   HD13  LEU  80          HD13      LEU  80  -6.772  -4.670  15.846
  655   HD21  LEU  80          HD21      LEU  80  -5.893  -1.688  13.801
  656   HD22  LEU  80          HD22      LEU  80  -5.450  -2.577  12.346
  657   HD23  LEU  80          HD23      LEU  80  -4.377  -2.595  13.747
  658    H    GLU  81           HN       GLU  81  -1.994  -6.755  12.885
  659    HA   GLU  81           HA       GLU  81  -2.860  -9.473  13.018
  660    HB2  GLU  81           HB2      GLU  81  -0.108  -8.213  12.713
  661    HB3  GLU  81           HB1      GLU  81  -0.302  -9.957  12.868
  662    HG2  GLU  81           HG2      GLU  81  -1.474  -8.220  10.684
  663    HG3  GLU  81           HG1      GLU  81  -0.081  -9.289  10.535
  664    H    HIS  82           HN       HIS  82  -0.859  -7.457  15.192
  665    HA   HIS  82           HA       HIS  82  -0.622  -9.500  17.200
  666    HB2  HIS  82           HB2      HIS  82   0.249  -7.651  18.686
  667    HB3  HIS  82           HB1      HIS  82   1.130  -7.869  17.185
  668    HD1  HIS  82           HD1      HIS  82  -1.478  -5.497  18.669
  669    HD2  HIS  82           HD2      HIS  82   1.526  -5.538  15.796
  670    HE1  HIS  82           HE1      HIS  82  -1.196  -3.111  17.958
  671    HE2  HIS  82           HE2      HIS  82   0.618  -3.158  16.215
  672    H    HIS  83           HN       HIS  83  -2.525 -10.279  17.836
  673    HA   HIS  83           HA       HIS  83  -4.869  -8.659  18.308
  674    HB2  HIS  83           HB2      HIS  83  -4.368 -11.631  18.725
  675    HB3  HIS  83           HB1      HIS  83  -5.938 -10.846  18.896
  676    HD1  HIS  83           HD1      HIS  83  -3.957 -12.612  16.485
  677    HD2  HIS  83           HD2      HIS  83  -6.736  -9.535  16.328
  678    HE1  HIS  83           HE1      HIS  83  -4.742 -12.543  14.103
  679    HE2  HIS  83           HE2      HIS  83  -6.534 -10.777  14.073
  680    H    HIS  84           HN       HIS  84  -4.056  -7.303  19.955
  681    HA   HIS  84           HA       HIS  84  -3.707  -8.366  22.659
  682    HB2  HIS  84           HB2      HIS  84  -3.767  -5.511  21.565
  683    HB3  HIS  84           HB1      HIS  84  -3.593  -5.893  23.274
  684    HD1  HIS  84           HD1      HIS  84  -1.257  -5.356  23.841
  685    HD2  HIS  84           HD2      HIS  84  -1.530  -7.325  20.195
  686    HE1  HIS  84           HE1      HIS  84   1.116  -5.698  23.082
  687    HE2  HIS  84           HE2      HIS  84   0.912  -6.726  20.788
  688    H    HIS  85           HN       HIS  85  -5.220  -8.113  24.290
  689    HA   HIS  85           HA       HIS  85  -8.002  -7.925  23.561
  690    HB2  HIS  85           HB2      HIS  85  -6.769  -7.989  26.363
  691    HB3  HIS  85           HB1      HIS  85  -8.460  -8.278  25.963
  692    HD1  HIS  85           HD1      HIS  85  -7.009 -10.381  27.542
  693    HD2  HIS  85           HD2      HIS  85  -7.110 -10.395  23.383
  694    HE1  HIS  85           HE1      HIS  85  -6.543 -12.753  26.864
  695    HE2  HIS  85           HE2      HIS  85  -6.629 -12.747  24.347
  696    H    HIS  86           HN       HIS  86  -9.091  -6.064  23.352
  697    HA   HIS  86           HA       HIS  86  -7.969  -3.489  23.955
  698    HB2  HIS  86           HB2      HIS  86 -10.736  -4.301  22.955
  699    HB3  HIS  86           HB1      HIS  86 -10.208  -2.628  23.121
  700    HD1  HIS  86           HD1      HIS  86  -9.651  -1.724  20.875
  701    HD2  HIS  86           HD2      HIS  86  -8.547  -5.721  21.213
  702    HE1  HIS  86           HE1      HIS  86  -8.643  -2.331  18.660
  703    HE2  HIS  86           HE2      HIS  86  -7.911  -4.728  18.912
  704    H    HIS  87           HN       HIS  87 -10.008  -5.710  25.661
  705    HA   HIS  87           HA       HIS  87  -9.937  -3.939  28.005
  706    HB2  HIS  87           HB2      HIS  87 -12.402  -5.474  27.046
  707    HB3  HIS  87           HB1      HIS  87 -12.250  -4.804  28.668
  708    HD1  HIS  87           HD1      HIS  87 -11.516  -2.057  28.491
  709    HD2  HIS  87           HD2      HIS  87 -13.821  -3.732  25.461
  710    HE1  HIS  87           HE1      HIS  87 -12.568  -0.117  27.300
  711    HE2  HIS  87           HE2      HIS  87 -14.118  -1.164  25.629
  712   H282  PNS  88          H282      PNS  88   8.661   9.250  -9.710
  713   H281  PNS  88          H281      PNS  88   8.147  10.608  -8.701
  714   H303  PNS  88          H303      PNS  88   5.797  11.433  -8.750
  715   H302  PNS  88          H302      PNS  88   5.900  11.761 -10.483
  716   H301  PNS  88          H301      PNS  88   4.607  10.726  -9.861
  717   H313  PNS  88          H313      PNS  88   6.288   9.046  -7.876
  718   H312  PNS  88          H312      PNS  88   5.030   8.507  -9.000
  719   H311  PNS  88          H311      PNS  88   6.642   7.769  -9.031
  720    H32  PNS  88           H32      PNS  88   6.913   9.951 -12.093
  721    H33  PNS  88           H33      PNS  88   7.261   7.761 -12.488
  722    H36  PNS  88           H36      PNS  88   4.859   7.459 -10.625
  723   H372  PNS  88          H372      PNS  88   2.370   8.436 -11.617
  724   H371  PNS  88          H371      PNS  88   2.998   7.112 -12.615
  725   H382  PNS  88          H382      PNS  88   1.505   6.271 -10.867
  726   H381  PNS  88          H381      PNS  88   3.146   5.668 -10.652
  727    H41  PNS  88           H41      PNS  88   1.030   8.338  -9.620
  728   H422  PNS  88          H422      PNS  88   2.468   8.676  -7.063
  729   H421  PNS  88          H421      PNS  88   1.226   9.741  -7.721
  730   H431  PNS  88          H431      PNS  88   0.417   6.959  -6.972
  731   H432  PNS  88          H432      PNS  88  -0.511   8.450  -6.933
  732    H44  PNS  88           H44      PNS  88   1.887   8.805  -4.769
  Start of MODEL   19
    1    H1   MET   1           HT1      MET   1 -13.220   2.102   7.931
    2    H2   MET   1           HT2      MET   1 -13.285   3.586   7.121
    3    H3   MET   1           HT3      MET   1 -12.605   3.497   8.664
    4    HA   MET   1           HA       MET   1 -10.824   2.150   7.887
    5    HB2  MET   1           HB2      MET   1 -12.157   2.463   5.160
    6    HB3  MET   1           HB1      MET   1 -10.570   1.741   5.422
    7    HG2  MET   1           HG2      MET   1 -11.532  -0.100   6.640
    8    HG3  MET   1           HG1      MET   1 -13.126   0.656   6.636
    9    HE1  MET   1           HE1      MET   1 -10.328  -1.036   4.462
   10    HE2  MET   1           HE2      MET   1 -10.551   0.478   3.584
   11    HE3  MET   1           HE3      MET   1 -11.067  -1.048   2.862
   12    HA   PRO   2           HA       PRO   2  -9.212   6.320   7.357
   13    HB2  PRO   2           HB2      PRO   2  -6.709   5.898   8.202
   14    HB3  PRO   2           HB1      PRO   2  -8.071   5.610   9.295
   15    HG2  PRO   2           HG2      PRO   2  -6.418   3.628   7.754
   16    HG3  PRO   2           HG1      PRO   2  -7.037   3.517   9.414
   17    HD2  PRO   2           HD2      PRO   2  -8.229   2.385   7.114
   18    HD3  PRO   2           HD1      PRO   2  -9.017   2.594   8.693
   19    H    THR   3           HN       THR   3  -9.544   4.981   4.885
   20    HA   THR   3           HA       THR   3  -7.110   4.609   3.442
   21    HB   THR   3           HB       THR   3  -8.740   4.475   1.440
   22    HG1  THR   3           HG1      THR   3 -10.889   4.074   3.090
   23   HG21  THR   3          HG21      THR   3  -7.892   2.476   2.633
   24   HG22  THR   3          HG22      THR   3  -9.565   2.256   2.096
   25   HG23  THR   3          HG23      THR   3  -9.227   2.612   3.791
   26    H    LEU   4           HN       LEU   4  -9.719   6.859   2.376
   27    HA   LEU   4           HA       LEU   4  -7.749   8.799   1.436
   28    HB2  LEU   4           HB2      LEU   4 -10.794   8.960   1.507
   29    HB3  LEU   4           HB1      LEU   4  -9.747  10.159   0.765
   30    HG   LEU   4           HG       LEU   4 -10.117   7.281  -0.171
   31   HD11  LEU   4          HD11      LEU   4 -10.991   9.889  -1.466
   32   HD12  LEU   4          HD12      LEU   4 -12.043   8.714  -0.673
   33   HD13  LEU   4          HD13      LEU   4 -11.187   8.268  -2.144
   34   HD21  LEU   4          HD21      LEU   4  -8.356   9.463  -1.366
   35   HD22  LEU   4          HD22      LEU   4  -8.682   7.887  -2.096
   36   HD23  LEU   4          HD23      LEU   4  -7.803   7.982  -0.574
   37    H    ASP   5           HN       ASP   5  -9.788   8.230   4.168
   38    HA   ASP   5           HA       ASP   5 -10.261  10.694   5.336
   39    HB2  ASP   5           HB2      ASP   5 -11.293   8.611   6.123
   40    HB3  ASP   5           HB1      ASP   5  -9.737   7.985   6.643
   41    H    ALA   6           HN       ALA   6  -7.605   8.489   6.197
   42    HA   ALA   6           HA       ALA   6  -6.377  10.405   7.963
   43    HB1  ALA   6           HB1      ALA   6  -4.760   8.620   8.407
   44    HB2  ALA   6           HB2      ALA   6  -5.414   7.673   7.067
   45    HB3  ALA   6           HB3      ALA   6  -6.414   8.009   8.482
   46    H    LEU   7           HN       LEU   7  -5.889   9.417   4.625
   47    HA   LEU   7           HA       LEU   7  -3.202  10.320   4.319
   48    HB2  LEU   7           HB2      LEU   7  -5.410   9.828   2.284
   49    HB3  LEU   7           HB1      LEU   7  -3.811  10.379   1.813
   50    HG   LEU   7           HG       LEU   7  -4.467   7.721   3.148
   51   HD11  LEU   7          HD11      LEU   7  -3.506   8.350   0.333
   52   HD12  LEU   7          HD12      LEU   7  -5.119   7.797   0.792
   53   HD13  LEU   7          HD13      LEU   7  -3.732   6.735   1.011
   54   HD21  LEU   7          HD21      LEU   7  -1.765   8.827   2.311
   55   HD22  LEU   7          HD22      LEU   7  -2.074   7.175   2.853
   56   HD23  LEU   7          HD23      LEU   7  -2.310   8.521   3.963
   57    H    THR   8           HN       THR   8  -6.320  12.000   4.190
   58    HA   THR   8           HA       THR   8  -5.587  14.188   2.601
   59    HB   THR   8           HB       THR   8  -7.676  14.230   4.818
   60    HG1  THR   8           HG1      THR   8  -7.645  12.613   2.874
   61   HG21  THR   8          HG21      THR   8  -7.195  16.500   3.938
   62   HG22  THR   8          HG22      THR   8  -8.791  15.957   3.424
   63   HG23  THR   8          HG23      THR   8  -7.443  15.921   2.285
   64    HA   PRO   9           HA       PRO   9  -4.222  16.594   6.845
   65    HB2  PRO   9           HB2      PRO   9  -3.305  14.087   8.280
   66    HB3  PRO   9           HB1      PRO   9  -3.913  15.608   8.958
   67    HG2  PRO   9           HG2      PRO   9  -5.488  13.466   8.864
   68    HG3  PRO   9           HG1      PRO   9  -6.148  15.071   8.477
   69    HD2  PRO   9           HD2      PRO   9  -5.366  12.841   6.610
   70    HD3  PRO   9           HD1      PRO   9  -6.746  13.950   6.513
   71    H    ILE  10           HN       ILE  10  -2.688  13.541   5.782
   72    HA   ILE  10           HA       ILE  10   0.014  14.269   6.230
   73    HB   ILE  10           HB       ILE  10  -1.039  12.260   4.179
   74   HG12  ILE  10          HG12      ILE  10  -1.848  11.717   6.466
   75   HG13  ILE  10          HG11      ILE  10  -0.692  10.514   5.906
   76   HG21  ILE  10          HG21      ILE  10   1.753  12.522   5.380
   77   HG22  ILE  10          HG22      ILE  10   1.289  12.838   3.707
   78   HG23  ILE  10          HG23      ILE  10   1.215  11.200   4.347
   79   HD11  ILE  10          HD11      ILE  10  -0.353  11.036   8.227
   80   HD12  ILE  10          HD12      ILE  10  -0.135  12.745   7.859
   81   HD13  ILE  10          HD13      ILE  10   1.045  11.554   7.295
   82    H    PHE  11           HN       PHE  11  -1.938  14.249   3.244
   83    HA   PHE  11           HA       PHE  11   0.096  15.219   1.515
   84    HB2  PHE  11           HB2      PHE  11  -2.924  15.004   1.223
   85    HB3  PHE  11           HB1      PHE  11  -1.903  15.635  -0.062
   86    HD1  PHE  11           HD2      PHE  11  -1.590  12.639   2.229
   87    HD2  PHE  11           HD1      PHE  11  -1.783  14.073  -1.790
   88    HE1  PHE  11           HE2      PHE  11  -1.292  10.350   1.395
   89    HE2  PHE  11           HE1      PHE  11  -1.492  11.780  -2.607
   90    HZ   PHE  11           HZ       PHE  11  -1.248   9.916  -1.027
   91    H    ARG  12           HN       ARG  12  -2.677  16.815   3.143
   92    HA   ARG  12           HA       ARG  12  -2.298  19.403   2.114
   93    HB2  ARG  12           HB2      ARG  12  -3.579  18.484   4.711
   94    HB3  ARG  12           HB1      ARG  12  -3.546  20.179   4.229
   95    HG2  ARG  12           HG2      ARG  12  -4.757  19.535   2.114
   96    HG3  ARG  12           HG1      ARG  12  -4.911  17.897   2.761
   97    HD2  ARG  12           HD2      ARG  12  -6.186  18.823   4.701
   98    HD3  ARG  12           HD1      ARG  12  -6.079  20.436   3.977
   99    HE   ARG  12           HE       ARG  12  -7.166  18.497   2.192
  100   HH11  ARG  12          HH11      ARG  12  -8.098  20.615   4.806
  101   HH12  ARG  12          HH12      ARG  12  -9.764  20.644   4.337
  102   HH21  ARG  12          HH21      ARG  12  -9.316  18.546   1.579
  103   HH22  ARG  12          HH22      ARG  12 -10.459  19.458   2.513
  104    H    GLN  13           HN       GLN  13  -0.677  17.772   4.833
  105    HA   GLN  13           HA       GLN  13   0.631  20.145   5.775
  106    HB2  GLN  13           HB2      GLN  13   0.214  18.247   7.283
  107    HB3  GLN  13           HB1      GLN  13   1.239  17.209   6.303
  108    HG2  GLN  13           HG2      GLN  13   2.383  17.932   8.351
  109    HG3  GLN  13           HG1      GLN  13   3.212  18.523   6.913
  110   HE21  GLN  13          HE21      GLN  13   1.158  19.440   9.621
  111   HE22  GLN  13          HE22      GLN  13   1.510  21.132   9.566
  112    H    VAL  14           HN       VAL  14   1.816  17.258   3.989
  113    HA   VAL  14           HA       VAL  14   4.466  18.007   3.612
  114    HB   VAL  14           HB       VAL  14   2.733  16.275   1.779
  115   HG11  VAL  14          HG11      VAL  14   4.873  15.309   0.923
  116   HG12  VAL  14          HG12      VAL  14   5.772  16.525   1.834
  117   HG13  VAL  14          HG13      VAL  14   4.704  17.020   0.518
  118   HG21  VAL  14          HG21      VAL  14   4.660  15.465   4.000
  119   HG22  VAL  14          HG22      VAL  14   3.765  14.354   2.958
  120   HG23  VAL  14          HG23      VAL  14   2.897  15.398   4.084
  121    H    PHE  15           HN       PHE  15   1.698  18.594   1.439
  122    HA   PHE  15           HA       PHE  15   3.295  20.149  -0.433
  123    HB2  PHE  15           HB2      PHE  15   0.305  19.562  -0.407
  124    HB3  PHE  15           HB1      PHE  15   1.168  20.368  -1.717
  125    HD1  PHE  15           HD1      PHE  15   3.321  19.002  -2.598
  126    HD2  PHE  15           HD2      PHE  15  -0.073  17.243  -0.678
  127    HE1  PHE  15           HE1      PHE  15   3.864  16.825  -3.606
  128    HE2  PHE  15           HE2      PHE  15   0.483  15.077  -1.686
  129    HZ   PHE  15           HZ       PHE  15   2.452  14.867  -3.144
  130    H    ASP  16           HN       ASP  16   1.399  20.770   2.375
  131    HA   ASP  16           HA       ASP  16   0.801  22.589   3.546
  132    HB2  ASP  16           HB2      ASP  16   3.143  23.299   3.353
  133    HB3  ASP  16           HB1      ASP  16   2.829  24.028   1.784
  134    H    ASP  17           HN       ASP  17  -1.310  22.464   2.853
  135    HA   ASP  17           HA       ASP  17  -2.405  24.455   1.099
  136    HB2  ASP  17           HB2      ASP  17  -1.359  22.724  -0.496
  137    HB3  ASP  17           HB1      ASP  17  -2.527  21.558   0.106
  138    H    ASP  18           HN       ASP  18  -4.839  23.800   0.695
  139    HA   ASP  18           HA       ASP  18  -6.042  22.451   3.020
  140    HB2  ASP  18           HB2      ASP  18  -6.657  25.336   2.239
  141    HB3  ASP  18           HB1      ASP  18  -7.615  24.399   3.381
  142    H    SER  19           HN       SER  19  -6.122  23.456  -0.252
  143    HA   SER  19           HA       SER  19  -8.903  22.816  -0.791
  144    HB2  SER  19           HB2      SER  19  -6.609  23.494  -2.690
  145    HB3  SER  19           HB1      SER  19  -8.321  23.419  -3.125
  146    HG   SER  19           HG       SER  19  -7.351  25.111  -1.076
  147    H    ILE  20           HN       ILE  20  -6.011  20.975  -0.509
  148    HA   ILE  20           HA       ILE  20  -6.427  18.931  -2.416
  149    HB   ILE  20           HB       ILE  20  -5.054  18.804   0.303
  150   HG12  ILE  20          HG12      ILE  20  -3.889  18.993  -2.512
  151   HG13  ILE  20          HG11      ILE  20  -3.960  20.308  -1.346
  152   HG21  ILE  20          HG21      ILE  20  -4.002  16.669  -0.422
  153   HG22  ILE  20          HG22      ILE  20  -5.019  16.666  -1.862
  154   HG23  ILE  20          HG23      ILE  20  -5.753  16.526  -0.265
  155   HD11  ILE  20          HD11      ILE  20  -2.349  17.770  -1.073
  156   HD12  ILE  20          HD12      ILE  20  -2.417  19.073   0.115
  157   HD13  ILE  20          HD13      ILE  20  -1.735  19.370  -1.482
  158    H    VAL  21           HN       VAL  21  -8.352  17.955  -2.620
  159    HA   VAL  21           HA       VAL  21  -9.638  16.716  -0.258
  160    HB   VAL  21           HB       VAL  21 -11.163  17.813  -2.678
  161   HG11  VAL  21          HG11      VAL  21 -13.198  17.367  -1.336
  162   HG12  VAL  21          HG12      VAL  21 -12.204  16.701  -0.038
  163   HG13  VAL  21          HG13      VAL  21 -12.272  15.888  -1.602
  164   HG21  VAL  21          HG21      VAL  21 -10.263  19.696  -1.355
  165   HG22  VAL  21          HG22      VAL  21 -10.992  19.034   0.111
  166   HG23  VAL  21          HG23      VAL  21 -12.019  19.603  -1.207
  167    H    LEU  22           HN       LEU  22  -8.520  14.865  -0.615
  168    HA   LEU  22           HA       LEU  22  -7.652  13.836  -3.039
  169    HB2  LEU  22           HB2      LEU  22  -8.028  12.462  -0.361
  170    HB3  LEU  22           HB1      LEU  22  -7.227  11.694  -1.726
  171    HG   LEU  22           HG       LEU  22  -6.266  14.236  -0.343
  172   HD11  LEU  22          HD11      LEU  22  -5.158  11.415  -0.191
  173   HD12  LEU  22          HD12      LEU  22  -6.000  12.278   1.099
  174   HD13  LEU  22          HD13      LEU  22  -4.439  12.861   0.531
  175   HD21  LEU  22          HD21      LEU  22  -4.938  12.594  -2.535
  176   HD22  LEU  22          HD22      LEU  22  -4.238  13.990  -1.712
  177   HD23  LEU  22          HD23      LEU  22  -5.659  14.199  -2.729
  178    H    THR  23           HN       THR  23  -8.362  12.466  -4.459
  179    HA   THR  23           HA       THR  23 -10.836  10.889  -4.053
  180    HB   THR  23           HB       THR  23 -11.207  10.976  -6.509
  181    HG1  THR  23           HG1      THR  23  -9.477  13.080  -6.986
  182   HG21  THR  23          HG21      THR  23 -10.967  13.783  -5.363
  183   HG22  THR  23          HG22      THR  23 -12.353  12.708  -5.168
  184   HG23  THR  23          HG23      THR  23 -11.932  13.320  -6.768
  185    H    ARG  24           HN       ARG  24 -10.617   8.931  -5.742
  186    HA   ARG  24           HA       ARG  24  -8.198   7.543  -5.182
  187    HB2  ARG  24           HB2      ARG  24 -10.480   6.943  -7.103
  188    HB3  ARG  24           HB1      ARG  24  -9.076   5.892  -6.966
  189    HG2  ARG  24           HG2      ARG  24 -10.874   4.984  -5.623
  190    HG3  ARG  24           HG1      ARG  24  -9.581   5.535  -4.553
  191    HD2  ARG  24           HD2      ARG  24 -10.858   7.563  -4.039
  192    HD3  ARG  24           HD1      ARG  24 -12.119   7.083  -5.173
  193    HE   ARG  24           HE       ARG  24 -11.537   5.295  -2.937
  194   HH11  ARG  24          HH11      ARG  24 -13.714   7.654  -4.343
  195   HH12  ARG  24          HH12      ARG  24 -15.005   7.299  -3.238
  196   HH21  ARG  24          HH21      ARG  24 -13.238   4.828  -1.502
  197   HH22  ARG  24          HH22      ARG  24 -14.735   5.695  -1.632
  198    H    GLU  25           HN       GLU  25  -9.344   9.432  -8.001
  199    HA   GLU  25           HA       GLU  25  -7.177   8.538  -9.720
  200    HB2  GLU  25           HB2      GLU  25  -8.217   9.968 -11.410
  201    HB3  GLU  25           HB1      GLU  25  -9.426   8.954 -10.631
  202    HG2  GLU  25           HG2      GLU  25 -10.172  10.856  -9.266
  203    HG3  GLU  25           HG1      GLU  25  -8.938  11.884  -9.998
  204    H    THR  26           HN       THR  26  -7.349  10.883  -7.283
  205    HA   THR  26           HA       THR  26  -5.715  12.955  -8.272
  206    HB   THR  26           HB       THR  26  -5.794  11.832  -5.425
  207    HG1  THR  26           HG1      THR  26  -7.531  13.415  -6.874
  208   HG21  THR  26          HG21      THR  26  -5.066  14.108  -4.733
  209   HG22  THR  26          HG22      THR  26  -4.871  14.559  -6.428
  210   HG23  THR  26          HG23      THR  26  -3.845  13.305  -5.724
  211    H    SER  27           HN       SER  27  -3.422  13.165  -8.300
  212    HA   SER  27           HA       SER  27  -1.596  11.062  -7.664
  213    HB2  SER  27           HB2      SER  27  -1.028  10.418 -10.007
  214    HB3  SER  27           HB1      SER  27  -2.695   9.996  -9.618
  215    HG   SER  27           HG       SER  27  -2.782  10.975 -11.569
  216    H    ALA  28           HN       ALA  28   0.556  11.543  -8.926
  217    HA   ALA  28           HA       ALA  28   1.282  14.288  -8.632
  218    HB1  ALA  28           HB1      ALA  28   3.496  13.510  -9.389
  219    HB2  ALA  28           HB2      ALA  28   2.795  11.940  -9.798
  220    HB3  ALA  28           HB3      ALA  28   2.826  12.482  -8.119
  221    H    ASN  29           HN       ASN  29  -0.208  12.596 -11.183
  222    HA   ASN  29           HA       ASN  29   0.586  14.437 -13.287
  223    HB2  ASN  29           HB2      ASN  29  -0.027  12.124 -13.885
  224    HB3  ASN  29           HB1      ASN  29  -1.611  12.309 -13.143
  225   HD21  ASN  29          HD21      ASN  29  -3.240  13.385 -14.285
  226   HD22  ASN  29          HD22      ASN  29  -3.067  13.864 -15.936
  227    H    ASP  30           HN       ASP  30  -2.098  13.851 -11.065
  228    HA   ASP  30           HA       ASP  30  -3.792  16.004 -11.986
  229    HB2  ASP  30           HB2      ASP  30  -4.730  13.892 -11.128
  230    HB3  ASP  30           HB1      ASP  30  -3.930  14.132  -9.585
  231    H    ILE  31           HN       ILE  31  -1.145  15.738  -9.811
  232    HA   ILE  31           HA       ILE  31  -1.592  18.471  -8.747
  233    HB   ILE  31           HB       ILE  31  -0.088  16.231  -7.282
  234   HG12  ILE  31          HG12      ILE  31  -2.807  17.490  -6.653
  235   HG13  ILE  31          HG11      ILE  31  -2.524  15.826  -7.142
  236   HG21  ILE  31          HG21      ILE  31  -0.694  19.090  -6.406
  237   HG22  ILE  31          HG22      ILE  31   0.889  18.470  -6.888
  238   HG23  ILE  31          HG23      ILE  31   0.113  17.866  -5.423
  239   HD11  ILE  31          HD11      ILE  31  -1.707  17.101  -4.528
  240   HD12  ILE  31          HD12      ILE  31  -1.328  15.445  -5.005
  241   HD13  ILE  31          HD13      ILE  31  -3.006  15.939  -4.790
  242    H    ASP  32           HN       ASP  32  -0.264  19.732  -9.857
  243    HA   ASP  32           HA       ASP  32   1.748  18.700 -11.606
  244    HB2  ASP  32           HB2      ASP  32   0.186  20.724 -12.006
  245    HB3  ASP  32           HB1      ASP  32   1.271  21.646 -10.975
  246    H    ALA  33           HN       ALA  33   1.813  20.260  -8.476
  247    HA   ALA  33           HA       ALA  33   4.669  20.814  -8.478
  248    HB1  ALA  33           HB1      ALA  33   3.085  22.345  -7.367
  249    HB2  ALA  33           HB2      ALA  33   4.270  21.711  -6.226
  250    HB3  ALA  33           HB3      ALA  33   2.624  21.069  -6.239
  251    H    TRP  34           HN       TRP  34   2.938  17.978  -8.030
  252    HA   TRP  34           HA       TRP  34   4.501  16.875  -5.832
  253    HB2  TRP  34           HB2      TRP  34   2.057  16.319  -6.332
  254    HB3  TRP  34           HB1      TRP  34   2.608  15.426  -7.736
  255    HD1  TRP  34           HD1      TRP  34   5.145  14.321  -5.487
  256    HE1  TRP  34           HE1      TRP  34   4.458  12.204  -4.185
  257    HE3  TRP  34           HE3      TRP  34   0.085  14.477  -6.230
  258    HZ2  TRP  34           HZ2      TRP  34   2.115  10.803  -3.544
  259    HZ3  TRP  34           HZ3      TRP  34  -1.309  12.699  -5.245
  260    HH2  TRP  34           HH2      TRP  34  -0.308  10.900  -3.928
  261    H    ASP  35           HN       ASP  35   6.513  17.466  -6.981
  262    HA   ASP  35           HA       ASP  35   7.666  16.236  -9.175
  263    HB2  ASP  35           HB2      ASP  35   8.632  18.126  -7.865
  264    HB3  ASP  35           HB1      ASP  35   8.958  17.042  -6.525
  265    H    SER  36           HN       SER  36   9.586  14.556  -9.004
  266    HA   SER  36           HA       SER  36   8.466  12.043  -8.361
  267    HB2  SER  36           HB2      SER  36  11.439  12.482  -8.801
  268    HB3  SER  36           HB1      SER  36  10.423  11.162  -9.378
  269    H    LEU  37           HN       LEU  37  10.980  14.064  -6.872
  270    HA   LEU  37           HA       LEU  37  11.453  12.276  -4.647
  271    HB2  LEU  37           HB2      LEU  37  12.524  15.061  -5.258
  272    HB3  LEU  37           HB1      LEU  37  12.946  14.171  -3.809
  273    HG   LEU  37           HG       LEU  37  14.771  13.945  -5.332
  274   HD11  LEU  37          HD11      LEU  37  13.241  11.331  -5.404
  275   HD12  LEU  37          HD12      LEU  37  14.249  11.914  -4.078
  276   HD13  LEU  37          HD13      LEU  37  14.982  11.542  -5.635
  277   HD21  LEU  37          HD21      LEU  37  14.612  13.079  -7.608
  278   HD22  LEU  37          HD22      LEU  37  13.651  14.544  -7.415
  279   HD23  LEU  37          HD23      LEU  37  12.854  12.968  -7.465
  280    H    SER  38           HN       SER  38   9.147  14.770  -5.263
  281    HA   SER  38           HA       SER  38   8.538  15.498  -2.571
  282    HB2  SER  38           HB2      SER  38   6.713  15.367  -5.011
  283    HB3  SER  38           HB1      SER  38   6.278  16.113  -3.469
  284    HG   SER  38           HG       SER  38   7.938  17.599  -3.764
  285    H    HIS  39           HN       HIS  39   7.587  12.787  -4.646
  286    HA   HIS  39           HA       HIS  39   5.899  11.369  -2.957
  287    HB2  HIS  39           HB2      HIS  39   8.008  10.288  -4.858
  288    HB3  HIS  39           HB1      HIS  39   6.854   9.255  -4.021
  289    HD2  HIS  39           HD2      HIS  39   7.012  11.720  -6.988
  290    HE1  HIS  39           HE1      HIS  39   3.105  10.148  -6.713
  291    HE2  HIS  39           HE2      HIS  39   4.641  11.681  -8.002
  292    H    MET  40           HN       MET  40   9.461  11.539  -2.835
  293    HA   MET  40           HA       MET  40   9.887   9.486  -0.939
  294    HB2  MET  40           HB2      MET  40  11.557  11.969  -1.517
  295    HB3  MET  40           HB1      MET  40  12.088  10.653  -0.471
  296    HG2  MET  40           HG2      MET  40  11.415  10.392  -3.415
  297    HG3  MET  40           HG1      MET  40  13.041  10.466  -2.726
  298    HE1  MET  40           HE1      MET  40  12.778   8.644  -0.070
  299    HE2  MET  40           HE2      MET  40  14.114   8.571  -1.217
  300    HE3  MET  40           HE3      MET  40  13.271   7.093  -0.740
  301    H    ASN  41           HN       ASN  41   9.017  12.875  -0.550
  302    HA   ASN  41           HA       ASN  41   9.126  12.996   2.302
  303    HB2  ASN  41           HB2      ASN  41   7.499  14.661   0.327
  304    HB3  ASN  41           HB1      ASN  41   7.642  15.021   2.045
  305   HD21  ASN  41          HD21      ASN  41   9.329  14.966  -1.020
  306   HD22  ASN  41          HD22      ASN  41  10.669  15.925  -0.523
  307    H    LEU  42           HN       LEU  42   6.600  12.049  -0.018
  308    HA   LEU  42           HA       LEU  42   4.461  11.679   1.832
  309    HB2  LEU  42           HB2      LEU  42   5.031  10.654  -0.965
  310    HB3  LEU  42           HB1      LEU  42   3.738   9.897  -0.063
  311    HG   LEU  42           HG       LEU  42   2.963  11.657  -1.664
  312   HD11  LEU  42          HD11      LEU  42   1.397  12.741  -0.155
  313   HD12  LEU  42          HD12      LEU  42   2.368  12.261   1.240
  314   HD13  LEU  42          HD13      LEU  42   1.582  11.034   0.239
  315   HD21  LEU  42          HD21      LEU  42   3.292  14.020  -1.138
  316   HD22  LEU  42          HD22      LEU  42   4.822  13.215  -1.470
  317   HD23  LEU  42          HD23      LEU  42   4.365  13.582   0.195
  318    H    ILE  43           HN       ILE  43   6.830   9.337   0.472
  319    HA   ILE  43           HA       ILE  43   5.969   6.992   1.651
  320    HB   ILE  43           HB       ILE  43   8.667   7.919   0.637
  321   HG12  ILE  43          HG12      ILE  43   8.416   5.957  -0.918
  322   HG13  ILE  43          HG11      ILE  43   6.875   5.586  -0.162
  323   HG21  ILE  43          HG21      ILE  43   9.725   5.711   1.088
  324   HG22  ILE  43          HG22      ILE  43   8.327   5.259   2.068
  325   HG23  ILE  43          HG23      ILE  43   9.360   6.602   2.565
  326   HD11  ILE  43          HD11      ILE  43   6.565   6.663  -2.278
  327   HD12  ILE  43          HD12      ILE  43   7.552   8.033  -1.770
  328   HD13  ILE  43          HD13      ILE  43   5.995   7.727  -0.995
  329    H    VAL  44           HN       VAL  44   8.509   9.220   2.885
  330    HA   VAL  44           HA       VAL  44   9.017   7.740   5.228
  331    HB   VAL  44           HB       VAL  44  10.299   9.684   6.021
  332   HG11  VAL  44          HG11      VAL  44  11.948   9.797   4.181
  333   HG12  VAL  44          HG12      VAL  44  10.758   9.117   3.069
  334   HG13  VAL  44          HG13      VAL  44  11.359   8.149   4.417
  335   HG21  VAL  44          HG21      VAL  44   9.171  11.176   3.623
  336   HG22  VAL  44          HG22      VAL  44  10.458  11.769   4.677
  337   HG23  VAL  44          HG23      VAL  44   8.833  11.525   5.320
  338    H    SER  45           HN       SER  45   6.777  10.440   4.602
  339    HA   SER  45           HA       SER  45   5.957  10.885   7.285
  340    HB2  SER  45           HB2      SER  45   4.501  11.417   4.661
  341    HB3  SER  45           HB1      SER  45   3.933  11.979   6.236
  342    HG   SER  45           HG       SER  45   5.746  13.084   4.621
  343    H    LEU  46           HN       LEU  46   4.624   8.753   4.730
  344    HA   LEU  46           HA       LEU  46   2.347   7.910   6.215
  345    HB2  LEU  46           HB2      LEU  46   3.727   6.484   3.915
  346    HB3  LEU  46           HB1      LEU  46   2.116   6.128   4.516
  347    HG   LEU  46           HG       LEU  46   2.985   8.678   3.079
  348   HD11  LEU  46          HD11      LEU  46   2.777   6.763   1.573
  349   HD12  LEU  46          HD12      LEU  46   1.505   7.943   1.271
  350   HD13  LEU  46          HD13      LEU  46   1.137   6.456   2.151
  351   HD21  LEU  46          HD21      LEU  46   0.637   9.374   3.152
  352   HD22  LEU  46          HD22      LEU  46   1.314   9.227   4.770
  353   HD23  LEU  46          HD23      LEU  46   0.235   7.972   4.152
  354    H    GLU  47           HN       GLU  47   5.587   6.573   5.778
  355    HA   GLU  47           HA       GLU  47   5.324   4.143   7.141
  356    HB2  GLU  47           HB2      GLU  47   7.732   5.955   6.719
  357    HB3  GLU  47           HB1      GLU  47   7.861   4.354   7.440
  358    HG2  GLU  47           HG2      GLU  47   6.720   4.862   4.678
  359    HG3  GLU  47           HG1      GLU  47   8.419   4.504   4.979
  360    H    VAL  48           HN       VAL  48   6.471   7.324   8.409
  361    HA   VAL  48           HA       VAL  48   6.885   6.235  11.033
  362    HB   VAL  48           HB       VAL  48   7.564   8.474  11.718
  363   HG11  VAL  48          HG11      VAL  48   9.213   7.055  10.592
  364   HG12  VAL  48          HG12      VAL  48   9.500   8.750  10.197
  365   HG13  VAL  48          HG13      VAL  48   8.719   7.692   9.019
  366   HG21  VAL  48          HG21      VAL  48   7.612  10.398  10.148
  367   HG22  VAL  48          HG22      VAL  48   5.961   9.882  10.499
  368   HG23  VAL  48          HG23      VAL  48   6.712   9.443   8.966
  369    H    HIS  49           HN       HIS  49   4.359   8.360   9.638
  370    HA   HIS  49           HA       HIS  49   3.044   9.004  12.067
  371    HB2  HIS  49           HB2      HIS  49   2.137   9.089   9.170
  372    HB3  HIS  49           HB1      HIS  49   1.032   9.507  10.466
  373    HD1  HIS  49           HD1      HIS  49   0.999  11.891  11.111
  374    HD2  HIS  49           HD2      HIS  49   4.520  10.897   9.165
  375    HE1  HIS  49           HE1      HIS  49   2.200  14.059  10.760
  376    HE2  HIS  49           HE2      HIS  49   4.398  13.411   9.722
  377    H    TYR  50           HN       TYR  50   2.282   6.556   9.583
  378    HA   TYR  50           HA       TYR  50   0.126   5.389  11.165
  379    HB2  TYR  50           HB2      TYR  50   1.325   4.526   8.505
  380    HB3  TYR  50           HB1      TYR  50  -0.131   3.854   9.226
  381    HD1  TYR  50           HD2      TYR  50   1.314   6.927   7.716
  382    HD2  TYR  50           HD1      TYR  50  -2.264   4.969   8.956
  383    HE1  TYR  50           HE2      TYR  50  -0.005   8.619   6.552
  384    HE2  TYR  50           HE1      TYR  50  -3.591   6.671   7.792
  385    HH   TYR  50           HH       TYR  50  -2.229   8.810   5.558
  386    H    LYS  51           HN       LYS  51   3.470   4.960  10.959
  387    HA   LYS  51           HA       LYS  51   4.986   3.544  11.843
  388    HB2  LYS  51           HB2      LYS  51   2.598   2.475  13.400
  389    HB3  LYS  51           HB1      LYS  51   4.219   1.833  13.609
  390    HG2  LYS  51           HG2      LYS  51   3.893   3.352  15.387
  391    HG3  LYS  51           HG1      LYS  51   4.970   4.163  14.253
  392    HD2  LYS  51           HD2      LYS  51   3.114   5.520  13.414
  393    HD3  LYS  51           HD1      LYS  51   1.978   4.647  14.443
  394    HE2  LYS  51           HE2      LYS  51   4.262   6.398  15.409
  395    HE3  LYS  51           HE1      LYS  51   2.554   6.836  15.409
  396    HZ1  LYS  51           HZ1      LYS  51   3.249   6.117  17.593
  397    HZ2  LYS  51           HZ2      LYS  51   3.785   4.629  16.987
  398    HZ3  LYS  51           HZ3      LYS  51   2.139   5.012  16.959
  399    H    ILE  52           HN       ILE  52   3.737   2.960   9.317
  400    HA   ILE  52           HA       ILE  52   3.341   0.028   9.240
  401    HB   ILE  52           HB       ILE  52   2.439   0.411   6.934
  402   HG12  ILE  52          HG12      ILE  52   2.830   3.372   7.580
  403   HG13  ILE  52          HG11      ILE  52   3.636   2.469   6.299
  404   HG21  ILE  52          HG21      ILE  52   1.084   2.016   9.121
  405   HG22  ILE  52          HG22      ILE  52   0.912   0.286   8.821
  406   HG23  ILE  52          HG23      ILE  52   0.310   1.443   7.638
  407   HD11  ILE  52          HD11      ILE  52   0.686   3.112   6.448
  408   HD12  ILE  52          HD12      ILE  52   1.464   2.182   5.161
  409   HD13  ILE  52          HD13      ILE  52   1.883   3.878   5.409
  410    H    LYS  53           HN       LYS  53   4.123  -0.885   6.975
  411    HA   LYS  53           HA       LYS  53   6.855   0.033   6.355
  412    HB2  LYS  53           HB2      LYS  53   6.697  -1.896   8.191
  413    HB3  LYS  53           HB1      LYS  53   6.351  -2.936   6.822
  414    HG2  LYS  53           HG2      LYS  53   8.880  -1.304   7.252
  415    HG3  LYS  53           HG1      LYS  53   8.719  -3.043   7.488
  416    HD2  LYS  53           HD2      LYS  53   8.500  -1.567   4.823
  417    HD3  LYS  53           HD1      LYS  53   9.889  -2.502   5.374
  418    HE2  LYS  53           HE2      LYS  53   7.120  -3.627   4.801
  419    HE3  LYS  53           HE1      LYS  53   8.525  -3.753   3.743
  420    HZ1  LYS  53           HZ1      LYS  53   8.220  -5.763   4.991
  421    HZ2  LYS  53           HZ2      LYS  53   8.269  -4.918   6.450
  422    HZ3  LYS  53           HZ3      LYS  53   9.650  -5.006   5.485
  423    H    PHE  54           HN       PHE  54   6.549   0.519   4.242
  424    HA   PHE  54           HA       PHE  54   5.888  -1.746   2.469
  425    HB2  PHE  54           HB2      PHE  54   5.145   0.036   0.747
  426    HB3  PHE  54           HB1      PHE  54   4.045  -0.379   2.046
  427    HD1  PHE  54           HD1      PHE  54   6.772   2.180   1.426
  428    HD2  PHE  54           HD2      PHE  54   2.873   1.369   2.963
  429    HE1  PHE  54           HE1      PHE  54   6.431   4.578   1.854
  430    HE2  PHE  54           HE2      PHE  54   2.544   3.753   3.372
  431    HZ   PHE  54           HZ       PHE  54   4.298   5.362   2.822
  432    H    ALA  55           HN       ALA  55   6.959  -1.735   0.450
  433    HA   ALA  55           HA       ALA  55   9.706  -0.674   0.582
  434    HB1  ALA  55           HB1      ALA  55   8.549  -2.927  -1.112
  435    HB2  ALA  55           HB2      ALA  55   9.467  -3.129   0.382
  436    HB3  ALA  55           HB3      ALA  55  10.247  -2.444  -1.043
  437    H    LEU  56           HN       LEU  56  10.547   0.489  -1.133
  438    HA   LEU  56           HA       LEU  56   8.866   2.331  -2.446
  439    HB2  LEU  56           HB2      LEU  56  11.304   2.621  -1.775
  440    HB3  LEU  56           HB1      LEU  56  11.765   1.637  -3.140
  441    HG   LEU  56           HG       LEU  56  12.048   4.176  -3.366
  442   HD11  LEU  56          HD11      LEU  56  12.212   2.747  -5.312
  443   HD12  LEU  56          HD12      LEU  56  11.467   4.292  -5.715
  444   HD13  LEU  56          HD13      LEU  56  10.469   2.842  -5.560
  445   HD21  LEU  56          HD21      LEU  56   9.044   4.168  -3.735
  446   HD22  LEU  56          HD22      LEU  56  10.132   5.540  -3.964
  447   HD23  LEU  56          HD23      LEU  56   9.919   4.849  -2.359
  448    H    GLY  57           HN       GLY  57  10.102  -0.797  -3.497
  449    HA2  GLY  57           HA2      GLY  57   9.568  -0.763  -6.243
  450    HA3  GLY  57           HA1      GLY  57   9.468  -2.185  -5.215
  451    H    GLU  58           HN       GLU  58   7.373  -1.508  -3.525
  452    HA   GLU  58           HA       GLU  58   4.999  -2.006  -4.987
  453    HB2  GLU  58           HB2      GLU  58   5.287  -0.877  -2.159
  454    HB3  GLU  58           HB1      GLU  58   3.791  -1.502  -2.851
  455    HG2  GLU  58           HG2      GLU  58   4.797  -3.742  -3.029
  456    HG3  GLU  58           HG1      GLU  58   6.309  -3.130  -2.351
  457    H    LEU  59           HN       LEU  59   6.493   0.957  -3.791
  458    HA   LEU  59           HA       LEU  59   4.319   2.742  -4.241
  459    HB2  LEU  59           HB2      LEU  59   7.291   3.188  -3.870
  460    HB3  LEU  59           HB1      LEU  59   6.226   4.533  -4.211
  461    HG   LEU  59           HG       LEU  59   6.780   4.293  -1.802
  462   HD11  LEU  59          HD11      LEU  59   4.530   4.596  -0.930
  463   HD12  LEU  59          HD12      LEU  59   3.851   3.946  -2.421
  464   HD13  LEU  59          HD13      LEU  59   4.759   5.455  -2.450
  465   HD21  LEU  59          HD21      LEU  59   5.220   1.708  -1.954
  466   HD22  LEU  59          HD22      LEU  59   5.725   2.515  -0.476
  467   HD23  LEU  59          HD23      LEU  59   6.935   1.900  -1.587
  468    H    GLN  60           HN       GLN  60   7.045   1.776  -6.312
  469    HA   GLN  60           HA       GLN  60   6.581   3.457  -8.502
  470    HB2  GLN  60           HB2      GLN  60   7.658   0.613  -8.433
  471    HB3  GLN  60           HB1      GLN  60   7.770   1.679  -9.829
  472    HG2  GLN  60           HG2      GLN  60   9.020   2.288  -7.130
  473    HG3  GLN  60           HG1      GLN  60   9.866   1.492  -8.454
  474   HE21  GLN  60          HE21      GLN  60  11.413   3.147  -8.565
  475   HE22  GLN  60          HE22      GLN  60  11.054   4.712  -9.199
  476    H    LYS  61           HN       LYS  61   4.790   0.686  -7.426
  477    HA   LYS  61           HA       LYS  61   3.291   0.339  -9.920
  478    HB2  LYS  61           HB2      LYS  61   2.980  -1.047  -7.217
  479    HB3  LYS  61           HB1      LYS  61   2.154  -1.505  -8.706
  480    HG2  LYS  61           HG2      LYS  61   5.155  -1.585  -8.266
  481    HG3  LYS  61           HG1      LYS  61   4.067  -2.976  -8.188
  482    HD2  LYS  61           HD2      LYS  61   3.469  -2.620 -10.586
  483    HD3  LYS  61           HD1      LYS  61   4.596  -1.259 -10.654
  484    HE2  LYS  61           HE2      LYS  61   5.575  -3.318 -11.605
  485    HE3  LYS  61           HE1      LYS  61   6.475  -2.768 -10.190
  486    HZ1  LYS  61           HZ1      LYS  61   4.430  -4.930 -10.179
  487    HZ2  LYS  61           HZ2      LYS  61   5.359  -4.427  -8.856
  488    HZ3  LYS  61           HZ3      LYS  61   6.104  -5.168 -10.180
  489    H    LEU  62           HN       LEU  62   3.081   2.349  -7.190
  490    HA   LEU  62           HA       LEU  62   0.150   2.472  -7.101
  491    HB2  LEU  62           HB2      LEU  62   2.145   4.154  -5.540
  492    HB3  LEU  62           HB1      LEU  62   0.420   3.992  -5.232
  493    HG   LEU  62           HG       LEU  62   2.577   1.899  -4.790
  494   HD11  LEU  62          HD11      LEU  62   1.989   2.057  -2.461
  495   HD12  LEU  62          HD12      LEU  62   0.719   3.234  -2.817
  496   HD13  LEU  62          HD13      LEU  62   2.415   3.644  -3.090
  497   HD21  LEU  62          HD21      LEU  62   0.593   0.735  -5.650
  498   HD22  LEU  62          HD22      LEU  62  -0.407   1.486  -4.404
  499   HD23  LEU  62          HD23      LEU  62   0.873   0.359  -3.952
  500    H    LYS  63           HN       LYS  63  -0.572   3.417  -8.865
  501    HA   LYS  63           HA       LYS  63   0.847   5.522 -10.273
  502    HB2  LYS  63           HB2      LYS  63  -0.264   3.370 -11.242
  503    HB3  LYS  63           HB1      LYS  63  -1.789   4.220 -11.073
  504    HG2  LYS  63           HG2      LYS  63   0.529   5.294 -12.717
  505    HG3  LYS  63           HG1      LYS  63  -0.675   4.197 -13.384
  506    HD2  LYS  63           HD2      LYS  63  -1.169   6.990 -12.296
  507    HD3  LYS  63           HD1      LYS  63  -1.205   6.494 -13.989
  508    HE2  LYS  63           HE2      LYS  63  -3.163   5.047 -13.509
  509    HE3  LYS  63           HE1      LYS  63  -3.121   5.556 -11.819
  510    HZ1  LYS  63           HZ1      LYS  63  -3.662   7.250 -14.179
  511    HZ2  LYS  63           HZ2      LYS  63  -3.452   7.854 -12.616
  512    HZ3  LYS  63           HZ3      LYS  63  -4.743   6.819 -12.956
  513    H    ASN  64           HN       ASN  64  -1.860   5.237  -8.099
  514    HA   ASN  64           HA       ASN  64  -2.213   8.117  -8.047
  515    HB2  ASN  64           HB2      ASN  64  -4.593   8.160  -8.587
  516    HB3  ASN  64           HB1      ASN  64  -3.719   7.436  -9.923
  517   HD21  ASN  64          HD21      ASN  64  -3.620   4.816  -8.240
  518   HD22  ASN  64          HD22      ASN  64  -5.182   4.152  -8.510
  519    H    VAL  65           HN       VAL  65  -4.160   8.606  -6.422
  520    HA   VAL  65           HA       VAL  65  -3.220   7.608  -3.899
  521    HB   VAL  65           HB       VAL  65  -5.437   9.615  -4.542
  522   HG11  VAL  65          HG11      VAL  65  -5.280  10.382  -2.178
  523   HG12  VAL  65          HG12      VAL  65  -4.176   9.049  -1.826
  524   HG13  VAL  65          HG13      VAL  65  -5.845   8.713  -2.287
  525   HG21  VAL  65          HG21      VAL  65  -3.772  11.335  -3.933
  526   HG22  VAL  65          HG22      VAL  65  -3.203  10.343  -5.278
  527   HG23  VAL  65          HG23      VAL  65  -2.566  10.074  -3.653
  528    H    GLY  66           HN       GLY  66  -5.685   6.609  -6.052
  529    HA2  GLY  66           HA2      GLY  66  -7.397   5.203  -4.267
  530    HA3  GLY  66           HA1      GLY  66  -7.135   4.837  -5.969
  531    H    ASP  67           HN       ASP  67  -4.404   4.369  -5.971
  532    HA   ASP  67           HA       ASP  67  -4.114   1.729  -4.963
  533    HB2  ASP  67           HB2      ASP  67  -2.040   3.711  -5.993
  534    HB3  ASP  67           HB1      ASP  67  -1.660   2.051  -5.560
  535    H    LEU  68           HN       LEU  68  -2.921   4.926  -3.824
  536    HA   LEU  68           HA       LEU  68  -1.489   3.984  -1.565
  537    HB2  LEU  68           HB2      LEU  68  -2.604   6.680  -2.334
  538    HB3  LEU  68           HB1      LEU  68  -2.107   6.457  -0.674
  539    HG   LEU  68           HG       LEU  68  -0.317   7.514  -1.811
  540   HD11  LEU  68          HD11      LEU  68   0.393   4.607  -1.399
  541   HD12  LEU  68          HD12      LEU  68   0.358   5.876  -0.171
  542   HD13  LEU  68          HD13      LEU  68   1.533   5.957  -1.480
  543   HD21  LEU  68          HD21      LEU  68  -0.383   5.291  -3.880
  544   HD22  LEU  68          HD22      LEU  68   0.777   6.623  -3.825
  545   HD23  LEU  68          HD23      LEU  68  -0.926   6.956  -4.122
  546    H    ALA  69           HN       ALA  69  -4.890   4.836  -1.977
  547    HA   ALA  69           HA       ALA  69  -5.647   4.995   0.740
  548    HB1  ALA  69           HB1      ALA  69  -7.060   5.856  -1.072
  549    HB2  ALA  69           HB2      ALA  69  -7.960   4.682  -0.114
  550    HB3  ALA  69           HB3      ALA  69  -7.311   4.223  -1.689
  551    H    ASP  70           HN       ASP  70  -5.972   2.370  -1.607
  552    HA   ASP  70           HA       ASP  70  -6.757   0.285   0.097
  553    HB2  ASP  70           HB2      ASP  70  -6.890   0.169  -2.395
  554    HB3  ASP  70           HB1      ASP  70  -5.134   0.092  -2.488
  555    H    LEU  71           HN       LEU  71  -3.516   1.266  -0.992
  556    HA   LEU  71           HA       LEU  71  -1.973  -0.832   0.019
  557    HB2  LEU  71           HB2      LEU  71  -1.146   0.619  -1.713
  558    HB3  LEU  71           HB1      LEU  71  -1.296   2.034  -0.709
  559    HG   LEU  71           HG       LEU  71   1.066   1.181  -1.257
  560   HD11  LEU  71          HD11      LEU  71   0.653   2.899   0.404
  561   HD12  LEU  71          HD12      LEU  71   2.028   1.880   0.811
  562   HD13  LEU  71          HD13      LEU  71   0.490   1.661   1.652
  563   HD21  LEU  71          HD21      LEU  71   0.709  -1.202  -0.844
  564   HD22  LEU  71          HD22      LEU  71   0.477  -0.880   0.877
  565   HD23  LEU  71          HD23      LEU  71   2.040  -0.563   0.117
  566    H    VAL  72           HN       VAL  72  -2.323   2.434   1.390
  567    HA   VAL  72           HA       VAL  72  -0.852   2.046   3.721
  568    HB   VAL  72           HB       VAL  72  -3.102   4.030   3.126
  569   HG11  VAL  72          HG11      VAL  72  -1.092   4.101   5.426
  570   HG12  VAL  72          HG12      VAL  72  -2.829   3.832   5.570
  571   HG13  VAL  72          HG13      VAL  72  -2.225   5.392   5.015
  572   HG21  VAL  72          HG21      VAL  72  -1.124   4.260   1.611
  573   HG22  VAL  72          HG22      VAL  72  -0.045   4.387   3.007
  574   HG23  VAL  72          HG23      VAL  72  -1.241   5.649   2.693
  575    H    ASP  73           HN       ASP  73  -4.306   1.511   3.039
  576    HA   ASP  73           HA       ASP  73  -5.106   0.835   5.695
  577    HB2  ASP  73           HB2      ASP  73  -6.690   1.518   3.886
  578    HB3  ASP  73           HB1      ASP  73  -6.375   0.003   3.048
  579    H    LYS  74           HN       LYS  74  -3.842  -1.086   2.995
  580    HA   LYS  74           HA       LYS  74  -4.243  -3.693   4.090
  581    HB2  LYS  74           HB2      LYS  74  -1.971  -2.889   2.211
  582    HB3  LYS  74           HB1      LYS  74  -2.509  -4.532   2.542
  583    HG2  LYS  74           HG2      LYS  74  -3.989  -2.385   1.011
  584    HG3  LYS  74           HG1      LYS  74  -3.283  -3.858   0.368
  585    HD2  LYS  74           HD2      LYS  74  -5.663  -3.726   2.267
  586    HD3  LYS  74           HD1      LYS  74  -5.763  -3.935   0.522
  587    HE2  LYS  74           HE2      LYS  74  -6.019  -6.116   1.337
  588    HE3  LYS  74           HE1      LYS  74  -4.314  -6.072   0.910
  589    HZ1  LYS  74           HZ1      LYS  74  -3.788  -5.697   3.235
  590    HZ2  LYS  74           HZ2      LYS  74  -4.686  -7.114   3.046
  591    HZ3  LYS  74           HZ3      LYS  74  -5.429  -5.717   3.638
  592    H    LYS  75           HN       LYS  75  -1.650  -1.364   4.329
  593    HA   LYS  75           HA       LYS  75   0.211  -2.966   5.771
  594    HB2  LYS  75           HB2      LYS  75   0.001   0.052   5.404
  595    HB3  LYS  75           HB1      LYS  75   1.393  -0.779   6.091
  596    HG2  LYS  75           HG2      LYS  75   0.356  -1.117   3.258
  597    HG3  LYS  75           HG1      LYS  75   1.773  -0.173   3.737
  598    HD2  LYS  75           HD2      LYS  75   2.891  -2.200   4.534
  599    HD3  LYS  75           HD1      LYS  75   1.462  -3.172   4.181
  600    HE2  LYS  75           HE2      LYS  75   1.748  -2.825   1.800
  601    HE3  LYS  75           HE1      LYS  75   3.040  -1.662   2.082
  602    HZ1  LYS  75           HZ1      LYS  75   4.353  -3.447   3.062
  603    HZ2  LYS  75           HZ2      LYS  75   3.944  -3.759   1.448
  604    HZ3  LYS  75           HZ3      LYS  75   3.121  -4.553   2.699
  605    H    LEU  76           HN       LEU  76  -2.257  -0.592   6.664
  606    HA   LEU  76           HA       LEU  76  -1.784  -0.587   9.478
  607    HB2  LEU  76           HB2      LEU  76  -4.145   0.233   7.763
  608    HB3  LEU  76           HB1      LEU  76  -4.196   0.354   9.516
  609    HG   LEU  76           HG       LEU  76  -2.114   1.763   7.799
  610   HD11  LEU  76          HD11      LEU  76  -4.655   2.908   8.984
  611   HD12  LEU  76          HD12      LEU  76  -4.334   2.631   7.271
  612   HD13  LEU  76          HD13      LEU  76  -3.387   3.818   8.157
  613   HD21  LEU  76          HD21      LEU  76  -2.834   2.090  10.737
  614   HD22  LEU  76          HD22      LEU  76  -1.655   3.059   9.851
  615   HD23  LEU  76          HD23      LEU  76  -1.367   1.340  10.099
  616    H    ALA  77           HN       ALA  77  -3.690  -2.621   7.337
  617    HA   ALA  77           HA       ALA  77  -5.122  -4.097   9.319
  618    HB1  ALA  77           HB1      ALA  77  -5.494  -5.756   7.524
  619    HB2  ALA  77           HB2      ALA  77  -4.288  -4.951   6.516
  620    HB3  ALA  77           HB3      ALA  77  -5.784  -4.117   6.939
  621    H    ARG  78           HN       ARG  78  -1.958  -4.460   7.775
  622    HA   ARG  78           HA       ARG  78  -1.155  -6.860   9.108
  623    HB2  ARG  78           HB2      ARG  78   0.491  -4.657   7.791
  624    HB3  ARG  78           HB1      ARG  78   1.166  -6.171   8.382
  625    HG2  ARG  78           HG2      ARG  78  -0.829  -5.848   6.111
  626    HG3  ARG  78           HG1      ARG  78   0.873  -6.300   5.974
  627    HD2  ARG  78           HD2      ARG  78  -1.376  -7.934   7.205
  628    HD3  ARG  78           HD1      ARG  78  -0.449  -8.313   5.751
  629    HE   ARG  78           HE       ARG  78   1.522  -8.328   7.461
  630   HH11  ARG  78          HH11      ARG  78  -1.664  -9.746   7.943
  631   HH12  ARG  78          HH12      ARG  78  -1.116 -10.819   9.190
  632   HH21  ARG  78          HH21      ARG  78   2.206  -9.740   9.097
  633   HH22  ARG  78          HH22      ARG  78   1.069 -10.832   9.826
  634    H    LYS  79           HN       LYS  79  -1.245  -3.508  10.040
  635    HA   LYS  79           HA       LYS  79   0.619  -3.693  12.242
  636    HB2  LYS  79           HB2      LYS  79  -1.391  -1.565  11.422
  637    HB3  LYS  79           HB1      LYS  79  -0.408  -1.415  12.874
  638    HG2  LYS  79           HG2      LYS  79   0.644  -1.625  10.035
  639    HG3  LYS  79           HG1      LYS  79   0.528  -0.143  10.989
  640    HD2  LYS  79           HD2      LYS  79   2.261  -2.566  11.637
  641    HD3  LYS  79           HD1      LYS  79   2.833  -1.028  10.985
  642    HE2  LYS  79           HE2      LYS  79   2.027   0.102  13.076
  643    HE3  LYS  79           HE1      LYS  79   1.586  -1.482  13.723
  644    HZ1  LYS  79           HZ1      LYS  79   3.918  -2.131  13.502
  645    HZ2  LYS  79           HZ2      LYS  79   3.718  -0.812  14.538
  646    HZ3  LYS  79           HZ3      LYS  79   4.302  -0.576  12.968
  647    H    LEU  80           HN       LEU  80  -2.619  -4.735  11.839
  648    HA   LEU  80           HA       LEU  80  -3.602  -4.356  14.484
  649    HB2  LEU  80           HB2      LEU  80  -4.471  -5.966  12.121
  650    HB3  LEU  80           HB1      LEU  80  -4.964  -6.620  13.668
  651    HG   LEU  80           HG       LEU  80  -6.755  -5.264  12.758
  652   HD11  LEU  80          HD11      LEU  80  -5.473  -3.838  15.108
  653   HD12  LEU  80          HD12      LEU  80  -6.501  -5.271  15.189
  654   HD13  LEU  80          HD13      LEU  80  -7.171  -3.745  14.621
  655   HD21  LEU  80          HD21      LEU  80  -4.807  -2.937  12.700
  656   HD22  LEU  80          HD22      LEU  80  -6.536  -2.855  12.342
  657   HD23  LEU  80          HD23      LEU  80  -5.467  -3.789  11.300
  658    H    GLU  81           HN       GLU  81  -1.886  -4.830  15.780
  659    HA   GLU  81           HA       GLU  81  -1.227  -7.677  16.257
  660    HB2  GLU  81           HB2      GLU  81   0.577  -5.641  15.838
  661    HB3  GLU  81           HB1      GLU  81   0.369  -5.454  17.570
  662    HG2  GLU  81           HG2      GLU  81   1.237  -8.016  16.195
  663    HG3  GLU  81           HG1      GLU  81   2.343  -6.830  16.873
  664    H    HIS  82           HN       HIS  82  -1.491  -8.417  18.389
  665    HA   HIS  82           HA       HIS  82  -3.603  -7.291  19.932
  666    HB2  HIS  82           HB2      HIS  82  -1.618  -9.523  20.539
  667    HB3  HIS  82           HB1      HIS  82  -2.991  -9.127  21.568
  668    HD1  HIS  82           HD1      HIS  82  -4.894 -10.650  21.190
  669    HD2  HIS  82           HD2      HIS  82  -2.710 -10.087  17.699
  670    HE1  HIS  82           HE1      HIS  82  -6.021 -12.075  19.461
  671    HE2  HIS  82           HE2      HIS  82  -4.585 -11.851  17.403
  672    H    HIS  83           HN       HIS  83  -0.252  -6.699  19.832
  673    HA   HIS  83           HA       HIS  83   1.251  -5.514  20.948
  674    HB2  HIS  83           HB2      HIS  83  -0.332  -3.655  21.021
  675    HB3  HIS  83           HB1      HIS  83  -1.114  -4.322  22.448
  676    HD1  HIS  83           HD1      HIS  83  -0.032  -3.899  24.707
  677    HD2  HIS  83           HD2      HIS  83   2.267  -2.532  21.527
  678    HE1  HIS  83           HE1      HIS  83   1.878  -2.640  25.750
  679    HE2  HIS  83           HE2      HIS  83   3.360  -2.022  23.812
  680    H    HIS  84           HN       HIS  84   2.385  -7.050  21.881
  681    HA   HIS  84           HA       HIS  84   1.568  -8.708  24.046
  682    HB2  HIS  84           HB2      HIS  84   4.418  -8.172  23.087
  683    HB3  HIS  84           HB1      HIS  84   3.864  -9.561  24.015
  684    HD1  HIS  84           HD1      HIS  84   5.273  -9.540  21.120
  685    HD2  HIS  84           HD2      HIS  84   1.258 -10.196  21.949
  686    HE1  HIS  84           HE1      HIS  84   4.391 -10.846  19.169
  687    HE2  HIS  84           HE2      HIS  84   1.912 -10.981  19.581
  688    H    HIS  85           HN       HIS  85   2.053  -8.578  26.232
  689    HA   HIS  85           HA       HIS  85   2.902  -6.006  27.337
  690    HB2  HIS  85           HB2      HIS  85   2.148  -6.938  29.520
  691    HB3  HIS  85           HB1      HIS  85   0.894  -7.049  28.293
  692    HD1  HIS  85           HD1      HIS  85   3.352  -9.223  30.180
  693    HD2  HIS  85           HD2      HIS  85  -0.059  -9.602  27.839
  694    HE1  HIS  85           HE1      HIS  85   2.672 -11.635  30.357
  695    HE2  HIS  85           HE2      HIS  85   0.675 -11.860  28.846
  696    H    HIS  86           HN       HIS  86   4.921  -7.246  25.988
  697    HA   HIS  86           HA       HIS  86   6.863  -8.207  28.012
  698    HB2  HIS  86           HB2      HIS  86   6.461  -9.832  26.204
  699    HB3  HIS  86           HB1      HIS  86   6.718  -8.596  24.980
  700    HD1  HIS  86           HD1      HIS  86   8.610 -10.641  27.536
  701    HD2  HIS  86           HD2      HIS  86   9.354  -8.276  24.208
  702    HE1  HIS  86           HE1      HIS  86  11.027 -11.028  26.972
  703    HE2  HIS  86           HE2      HIS  86  11.491  -9.458  25.052
  704    H    HIS  87           HN       HIS  87   5.953  -5.656  25.898
  705    HA   HIS  87           HA       HIS  87   6.763  -3.692  25.221
  706    HB2  HIS  87           HB2      HIS  87   7.436  -3.389  27.633
  707    HB3  HIS  87           HB1      HIS  87   9.013  -4.059  27.254
  708    HD1  HIS  87           HD1      HIS  87   7.040  -0.942  27.108
  709    HD2  HIS  87           HD2      HIS  87  10.688  -2.319  25.693
  710    HE1  HIS  87           HE1      HIS  87   8.284   1.101  26.394
  711    HE2  HIS  87           HE2      HIS  87  10.394   0.225  25.336
  712   H282  PNS  88          H282      PNS  88   6.149  12.990 -11.852
  713   H281  PNS  88          H281      PNS  88   7.081  12.029 -12.989
  714   H303  PNS  88          H303      PNS  88   4.163  12.030 -11.210
  715   H302  PNS  88          H302      PNS  88   4.183  11.211 -12.771
  716   H301  PNS  88          H301      PNS  88   3.837  10.290 -11.298
  717   H313  PNS  88          H313      PNS  88   5.655   9.612  -9.764
  718   H312  PNS  88          H312      PNS  88   7.281  10.279  -9.929
  719   H311  PNS  88          H311      PNS  88   5.947  11.325  -9.438
  720    H32  PNS  88           H32      PNS  88   6.168   9.796 -13.487
  721    H33  PNS  88           H33      PNS  88   7.924   8.550 -11.771
  722    H36  PNS  88           H36      PNS  88   3.941   8.922 -12.993
  723   H372  PNS  88          H372      PNS  88   2.546   7.137 -12.775
  724   H371  PNS  88          H371      PNS  88   3.962   6.130 -12.458
  725   H382  PNS  88          H382      PNS  88   2.522   6.087 -10.514
  726   H381  PNS  88          H381      PNS  88   4.000   6.958 -10.133
  727    H41  PNS  88           H41      PNS  88   2.222   7.372  -8.352
  728   H422  PNS  88          H422      PNS  88   1.782  10.020  -8.015
  729   H421  PNS  88          H421      PNS  88   0.326   9.487  -8.861
  730   H431  PNS  88          H431      PNS  88  -0.109   7.847  -7.080
  731   H432  PNS  88          H432      PNS  88  -0.025   9.487  -6.432
  732    H44  PNS  88           H44      PNS  88   2.967   8.128  -6.327
  Start of MODEL   20
    1    H1   MET   1           HT1      MET   1 -10.970   0.087   5.497
    2    H2   MET   1           HT2      MET   1  -9.758   1.115   6.065
    3    H3   MET   1           HT3      MET   1 -10.550   1.462   4.615
    4    HA   MET   1           HA       MET   1 -12.598   1.813   5.702
    5    HB2  MET   1           HB2      MET   1 -12.339   0.196   7.549
    6    HB3  MET   1           HB1      MET   1 -11.119   1.213   8.298
    7    HG2  MET   1           HG2      MET   1 -12.873   2.998   8.546
    8    HG3  MET   1           HG1      MET   1 -14.061   1.827   7.978
    9    HE1  MET   1           HE1      MET   1 -15.502   2.269  10.215
   10    HE2  MET   1           HE2      MET   1 -14.290   3.424  10.776
   11    HE3  MET   1           HE3      MET   1 -14.830   2.127  11.843
   12    HA   PRO   2           HA       PRO   2 -10.611   5.808   7.355
   13    HB2  PRO   2           HB2      PRO   2  -8.420   5.907   8.856
   14    HB3  PRO   2           HB1      PRO   2  -9.835   5.036   9.471
   15    HG2  PRO   2           HG2      PRO   2  -7.291   3.941   8.294
   16    HG3  PRO   2           HG1      PRO   2  -8.276   3.309   9.632
   17    HD2  PRO   2           HD2      PRO   2  -8.392   2.503   6.876
   18    HD3  PRO   2           HD1      PRO   2  -9.490   2.011   8.180
   19    H    THR   3           HN       THR   3  -9.798   4.694   4.806
   20    HA   THR   3           HA       THR   3  -7.011   4.746   4.358
   21    HB   THR   3           HB       THR   3  -7.629   4.352   1.975
   22    HG1  THR   3           HG1      THR   3 -10.328   4.162   2.564
   23   HG21  THR   3          HG21      THR   3  -8.824   2.223   2.333
   24   HG22  THR   3          HG22      THR   3  -9.243   2.723   3.974
   25   HG23  THR   3          HG23      THR   3  -7.553   2.451   3.536
   26    H    LEU   4           HN       LEU   4  -9.347   6.743   2.463
   27    HA   LEU   4           HA       LEU   4  -7.434   8.622   1.563
   28    HB2  LEU   4           HB2      LEU   4 -10.465   8.925   1.778
   29    HB3  LEU   4           HB1      LEU   4  -9.414  10.011   0.883
   30    HG   LEU   4           HG       LEU   4  -9.932   7.082   0.215
   31   HD11  LEU   4          HD11      LEU   4 -10.851   9.596  -1.221
   32   HD12  LEU   4          HD12      LEU   4 -11.867   8.517  -0.262
   33   HD13  LEU   4          HD13      LEU   4 -11.127   7.931  -1.748
   34   HD21  LEU   4          HD21      LEU   4  -8.253   9.119  -1.295
   35   HD22  LEU   4          HD22      LEU   4  -8.642   7.484  -1.841
   36   HD23  LEU   4          HD23      LEU   4  -7.643   7.715  -0.410
   37    H    ASP   5           HN       ASP   5  -9.647   8.536   4.277
   38    HA   ASP   5           HA       ASP   5  -9.602  11.169   5.184
   39    HB2  ASP   5           HB2      ASP   5 -11.174   9.366   5.971
   40    HB3  ASP   5           HB1      ASP   5  -9.860   8.633   6.877
   41    H    ALA   6           HN       ALA   6  -7.556   8.440   6.190
   42    HA   ALA   6           HA       ALA   6  -5.959   9.869   8.064
   43    HB1  ALA   6           HB1      ALA   6  -6.222   7.415   8.142
   44    HB2  ALA   6           HB2      ALA   6  -4.520   7.871   8.056
   45    HB3  ALA   6           HB3      ALA   6  -5.347   7.265   6.617
   46    H    LEU   7           HN       LEU   7  -5.655   9.156   4.630
   47    HA   LEU   7           HA       LEU   7  -2.986  10.057   4.233
   48    HB2  LEU   7           HB2      LEU   7  -5.323   9.873   2.282
   49    HB3  LEU   7           HB1      LEU   7  -3.662  10.184   1.807
   50    HG   LEU   7           HG       LEU   7  -4.616   7.612   3.132
   51   HD11  LEU   7          HD11      LEU   7  -3.990   8.135   0.206
   52   HD12  LEU   7          HD12      LEU   7  -5.590   7.852   0.896
   53   HD13  LEU   7          HD13      LEU   7  -4.386   6.569   0.924
   54   HD21  LEU   7          HD21      LEU   7  -1.939   8.311   1.879
   55   HD22  LEU   7          HD22      LEU   7  -2.411   6.722   2.490
   56   HD23  LEU   7          HD23      LEU   7  -2.262   8.081   3.600
   57    H    THR   8           HN       THR   8  -6.113  11.739   4.340
   58    HA   THR   8           HA       THR   8  -5.565  13.945   2.751
   59    HB   THR   8           HB       THR   8  -7.451  13.859   5.140
   60    HG1  THR   8           HG1      THR   8  -7.485  12.548   2.842
   61   HG21  THR   8          HG21      THR   8  -8.709  15.634   3.965
   62   HG22  THR   8          HG22      THR   8  -7.450  15.720   2.731
   63   HG23  THR   8          HG23      THR   8  -7.088  16.191   4.393
   64    HA   PRO   9           HA       PRO   9  -3.904  16.552   6.631
   65    HB2  PRO   9           HB2      PRO   9  -2.802  15.071   8.711
   66    HB3  PRO   9           HB1      PRO   9  -4.466  15.682   8.721
   67    HG2  PRO   9           HG2      PRO   9  -3.455  12.946   7.930
   68    HG3  PRO   9           HG1      PRO   9  -4.822  13.369   8.989
   69    HD2  PRO   9           HD2      PRO   9  -5.266  12.674   6.445
   70    HD3  PRO   9           HD1      PRO   9  -6.198  14.001   7.175
   71    H    ILE  10           HN       ILE  10  -2.507  13.465   5.639
   72    HA   ILE  10           HA       ILE  10   0.256  14.111   6.032
   73    HB   ILE  10           HB       ILE  10  -0.982  12.020   4.184
   74   HG12  ILE  10          HG12      ILE  10  -1.664  11.667   6.536
   75   HG13  ILE  10          HG11      ILE  10  -0.587  10.387   6.005
   76   HG21  ILE  10          HG21      ILE  10   1.886  12.226   5.175
   77   HG22  ILE  10          HG22      ILE  10   1.328  12.458   3.515
   78   HG23  ILE  10          HG23      ILE  10   1.216  10.868   4.269
   79   HD11  ILE  10          HD11      ILE  10  -0.098  11.043   8.260
   80   HD12  ILE  10          HD12      ILE  10   0.150  12.714   7.766
   81   HD13  ILE  10          HD13      ILE  10   1.261  11.452   7.219
   82    H    PHE  11           HN       PHE  11  -1.929  14.182   3.227
   83    HA   PHE  11           HA       PHE  11   0.040  15.034   1.317
   84    HB2  PHE  11           HB2      PHE  11  -2.995  14.791   1.255
   85    HB3  PHE  11           HB1      PHE  11  -2.109  15.484  -0.098
   86    HD1  PHE  11           HD2      PHE  11  -2.006  12.398   2.074
   87    HD2  PHE  11           HD1      PHE  11  -1.510  14.035  -1.828
   88    HE1  PHE  11           HE2      PHE  11  -1.592  10.148   1.187
   89    HE2  PHE  11           HE1      PHE  11  -1.086  11.794  -2.692
   90    HZ   PHE  11           HZ       PHE  11  -1.120   9.844  -1.205
   91    H    ARG  12           HN       ARG  12  -2.628  16.660   3.071
   92    HA   ARG  12           HA       ARG  12  -2.243  19.264   2.143
   93    HB2  ARG  12           HB2      ARG  12  -3.287  18.267   4.818
   94    HB3  ARG  12           HB1      ARG  12  -3.329  19.967   4.344
   95    HG2  ARG  12           HG2      ARG  12  -4.762  19.404   2.417
   96    HG3  ARG  12           HG1      ARG  12  -4.715  17.697   2.864
   97    HD2  ARG  12           HD2      ARG  12  -5.875  18.183   4.957
   98    HD3  ARG  12           HD1      ARG  12  -5.842  19.915   4.611
   99    HE   ARG  12           HE       ARG  12  -7.116  18.555   2.508
  100   HH11  ARG  12          HH11      ARG  12  -7.730  19.535   5.826
  101   HH12  ARG  12          HH12      ARG  12  -9.451  19.505   5.637
  102   HH21  ARG  12          HH21      ARG  12  -9.358  18.548   2.264
  103   HH22  ARG  12          HH22      ARG  12 -10.378  18.960   3.607
  104    H    GLN  13           HN       GLN  13  -0.527  17.516   4.688
  105    HA   GLN  13           HA       GLN  13   1.045  19.641   5.709
  106    HB2  GLN  13           HB2      GLN  13   0.850  17.530   6.946
  107    HB3  GLN  13           HB1      GLN  13   1.555  16.629   5.616
  108    HG2  GLN  13           HG2      GLN  13   3.205  16.867   7.371
  109    HG3  GLN  13           HG1      GLN  13   3.718  17.809   5.971
  110   HE21  GLN  13          HE21      GLN  13   1.295  18.728   8.410
  111   HE22  GLN  13          HE22      GLN  13   2.167  20.083   9.027
  112    H    VAL  14           HN       VAL  14   1.844  17.079   3.368
  113    HA   VAL  14           HA       VAL  14   4.499  17.821   2.874
  114    HB   VAL  14           HB       VAL  14   2.546  16.073   1.313
  115   HG11  VAL  14          HG11      VAL  14   4.233  16.811  -0.314
  116   HG12  VAL  14          HG12      VAL  14   4.493  15.113   0.090
  117   HG13  VAL  14          HG13      VAL  14   5.533  16.355   0.789
  118   HG21  VAL  14          HG21      VAL  14   4.894  15.336   3.108
  119   HG22  VAL  14          HG22      VAL  14   3.749  14.220   2.365
  120   HG23  VAL  14          HG23      VAL  14   3.202  15.340   3.609
  121    H    PHE  15           HN       PHE  15   1.569  18.515   0.956
  122    HA   PHE  15           HA       PHE  15   3.100  20.058  -1.003
  123    HB2  PHE  15           HB2      PHE  15   0.098  19.515  -0.945
  124    HB3  PHE  15           HB1      PHE  15   1.025  20.161  -2.302
  125    HD1  PHE  15           HD1      PHE  15   3.111  18.634  -3.036
  126    HD2  PHE  15           HD2      PHE  15  -0.345  17.200  -0.970
  127    HE1  PHE  15           HE1      PHE  15   3.610  16.347  -3.765
  128    HE2  PHE  15           HE2      PHE  15   0.168  14.916  -1.715
  129    HZ   PHE  15           HZ       PHE  15   2.148  14.485  -3.104
  130    H    ASP  16           HN       ASP  16   1.507  20.670   1.938
  131    HA   ASP  16           HA       ASP  16   1.230  22.507   3.199
  132    HB2  ASP  16           HB2      ASP  16   3.550  23.049   2.447
  133    HB3  ASP  16           HB1      ASP  16   2.892  23.928   1.071
  134    H    ASP  17           HN       ASP  17  -0.937  21.866   1.989
  135    HA   ASP  17           HA       ASP  17  -2.339  24.339   1.390
  136    HB2  ASP  17           HB2      ASP  17  -1.517  23.690  -0.867
  137    HB3  ASP  17           HB1      ASP  17  -2.201  22.076  -0.673
  138    H    ASP  18           HN       ASP  18  -4.064  24.197   2.669
  139    HA   ASP  18           HA       ASP  18  -5.047  21.699   3.739
  140    HB2  ASP  18           HB2      ASP  18  -4.850  23.722   5.147
  141    HB3  ASP  18           HB1      ASP  18  -6.003  24.567   4.121
  142    H    SER  19           HN       SER  19  -5.716  23.369   0.898
  143    HA   SER  19           HA       SER  19  -8.610  22.962   0.833
  144    HB2  SER  19           HB2      SER  19  -6.739  23.983  -1.343
  145    HB3  SER  19           HB1      SER  19  -8.505  24.026  -1.389
  146    HG   SER  19           HG       SER  19  -8.151  25.222   0.737
  147    H    ILE  20           HN       ILE  20  -5.892  21.055   0.181
  148    HA   ILE  20           HA       ILE  20  -6.623  19.486  -2.005
  149    HB   ILE  20           HB       ILE  20  -5.094  18.658   0.505
  150   HG12  ILE  20          HG12      ILE  20  -4.088  19.540  -2.239
  151   HG13  ILE  20          HG11      ILE  20  -4.024  20.501  -0.762
  152   HG21  ILE  20          HG21      ILE  20  -4.188  16.749  -0.796
  153   HG22  ILE  20          HG22      ILE  20  -5.247  17.164  -2.144
  154   HG23  ILE  20          HG23      ILE  20  -5.940  16.630  -0.613
  155   HD11  ILE  20          HD11      ILE  20  -1.864  19.581  -1.277
  156   HD12  ILE  20          HD12      ILE  20  -2.517  17.945  -1.317
  157   HD13  ILE  20          HD13      ILE  20  -2.471  18.844   0.205
  158    H    VAL  21           HN       VAL  21  -8.350  18.274  -2.347
  159    HA   VAL  21           HA       VAL  21  -9.718  16.842  -0.141
  160    HB   VAL  21           HB       VAL  21 -11.024  17.961  -2.681
  161   HG11  VAL  21          HG11      VAL  21 -13.173  17.226  -1.696
  162   HG12  VAL  21          HG12      VAL  21 -12.314  16.526  -0.321
  163   HG13  VAL  21          HG13      VAL  21 -12.082  15.858  -1.939
  164   HG21  VAL  21          HG21      VAL  21 -11.339  18.931   0.191
  165   HG22  VAL  21          HG22      VAL  21 -12.241  19.529  -1.204
  166   HG23  VAL  21          HG23      VAL  21 -10.498  19.788  -1.105
  167    H    LEU  22           HN       LEU  22  -8.736  14.905  -0.404
  168    HA   LEU  22           HA       LEU  22  -7.606  13.973  -2.802
  169    HB2  LEU  22           HB2      LEU  22  -8.215  12.552  -0.193
  170    HB3  LEU  22           HB1      LEU  22  -7.389  11.760  -1.529
  171    HG   LEU  22           HG       LEU  22  -6.359  14.204  -0.016
  172   HD11  LEU  22          HD11      LEU  22  -4.628  12.700   0.839
  173   HD12  LEU  22          HD12      LEU  22  -5.374  11.336   0.001
  174   HD13  LEU  22          HD13      LEU  22  -6.234  12.149   1.313
  175   HD21  LEU  22          HD21      LEU  22  -5.043  12.640  -2.276
  176   HD22  LEU  22          HD22      LEU  22  -4.290  13.934  -1.340
  177   HD23  LEU  22          HD23      LEU  22  -5.667  14.290  -2.377
  178    H    THR  23           HN       THR  23  -8.344  12.872  -4.409
  179    HA   THR  23           HA       THR  23 -10.948  11.477  -4.272
  180    HB   THR  23           HB       THR  23 -11.117  11.754  -6.744
  181    HG1  THR  23           HG1      THR  23  -8.654  12.255  -6.802
  182   HG21  THR  23          HG21      THR  23 -11.704  14.156  -6.824
  183   HG22  THR  23          HG22      THR  23 -10.831  14.425  -5.311
  184   HG23  THR  23          HG23      THR  23 -12.276  13.410  -5.329
  185    H    ARG  24           HN       ARG  24 -10.963   9.489  -5.602
  186    HA   ARG  24           HA       ARG  24  -8.883   7.763  -4.929
  187    HB2  ARG  24           HB2      ARG  24 -11.108   7.515  -6.990
  188    HB3  ARG  24           HB1      ARG  24  -9.958   6.217  -6.715
  189    HG2  ARG  24           HG2      ARG  24 -11.942   5.701  -5.475
  190    HG3  ARG  24           HG1      ARG  24 -10.688   6.122  -4.311
  191    HD2  ARG  24           HD2      ARG  24 -11.697   8.381  -4.072
  192    HD3  ARG  24           HD1      ARG  24 -12.946   7.935  -5.242
  193    HE   ARG  24           HE       ARG  24 -12.912   6.070  -3.135
  194   HH11  ARG  24          HH11      ARG  24 -13.878   9.417  -3.694
  195   HH12  ARG  24          HH12      ARG  24 -15.119   9.370  -2.483
  196   HH21  ARG  24          HH21      ARG  24 -14.502   6.041  -1.569
  197   HH22  ARG  24          HH22      ARG  24 -15.475   7.450  -1.276
  198    H    GLU  25           HN       GLU  25  -9.518   9.427  -7.999
  199    HA   GLU  25           HA       GLU  25  -7.226   8.248  -9.335
  200    HB2  GLU  25           HB2      GLU  25  -7.982   9.552 -11.328
  201    HB3  GLU  25           HB1      GLU  25  -9.192   8.454 -10.693
  202    HG2  GLU  25           HG2      GLU  25  -9.264  11.338  -9.823
  203    HG3  GLU  25           HG1      GLU  25  -9.824  10.923 -11.437
  204    H    THR  26           HN       THR  26  -7.177  10.596  -7.095
  205    HA   THR  26           HA       THR  26  -5.653  12.674  -8.267
  206    HB   THR  26           HB       THR  26  -5.614  11.678  -5.382
  207    HG1  THR  26           HG1      THR  26  -6.994  13.855  -6.584
  208   HG21  THR  26          HG21      THR  26  -4.623  14.333  -6.489
  209   HG22  THR  26          HG22      THR  26  -3.606  13.050  -5.823
  210   HG23  THR  26          HG23      THR  26  -4.742  13.912  -4.780
  211    H    SER  27           HN       SER  27  -3.999  11.919  -9.610
  212    HA   SER  27           HA       SER  27  -1.821  10.310  -8.406
  213    HB2  SER  27           HB2      SER  27  -1.084   9.945 -10.742
  214    HB3  SER  27           HB1      SER  27  -2.767   9.454 -10.530
  215    HG   SER  27           HG       SER  27  -2.122  10.822 -12.426
  216    H    ALA  28           HN       ALA  28   0.384  10.994  -9.533
  217    HA   ALA  28           HA       ALA  28   1.237  13.530  -8.750
  218    HB1  ALA  28           HB1      ALA  28   2.464  11.684 -10.818
  219    HB2  ALA  28           HB2      ALA  28   2.725  11.611  -9.075
  220    HB3  ALA  28           HB3      ALA  28   3.293  13.008  -9.992
  221    H    ASN  29           HN       ASN  29  -0.578  12.704 -11.565
  222    HA   ASN  29           HA       ASN  29   0.096  15.106 -13.074
  223    HB2  ASN  29           HB2      ASN  29  -0.513  13.009 -14.268
  224    HB3  ASN  29           HB1      ASN  29  -2.107  13.040 -13.519
  225   HD21  ASN  29          HD21      ASN  29   0.002  14.613 -15.864
  226   HD22  ASN  29          HD22      ASN  29  -1.250  15.420 -16.739
  227    H    ASP  30           HN       ASP  30  -2.411  13.997 -10.824
  228    HA   ASP  30           HA       ASP  30  -4.254  16.163 -11.356
  229    HB2  ASP  30           HB2      ASP  30  -4.951  13.850 -10.618
  230    HB3  ASP  30           HB1      ASP  30  -4.229  14.170  -9.043
  231    H    ILE  31           HN       ILE  31  -1.575  15.614  -9.216
  232    HA   ILE  31           HA       ILE  31  -1.965  18.278  -7.972
  233    HB   ILE  31           HB       ILE  31  -0.437  15.911  -6.762
  234   HG12  ILE  31          HG12      ILE  31  -2.986  17.312  -5.831
  235   HG13  ILE  31          HG11      ILE  31  -2.865  15.670  -6.443
  236   HG21  ILE  31          HG21      ILE  31   0.745  18.023  -6.297
  237   HG22  ILE  31          HG22      ILE  31   0.023  17.394  -4.819
  238   HG23  ILE  31          HG23      ILE  31  -0.741  18.740  -5.667
  239   HD11  ILE  31          HD11      ILE  31  -1.706  16.690  -3.845
  240   HD12  ILE  31          HD12      ILE  31  -1.550  15.040  -4.451
  241   HD13  ILE  31          HD13      ILE  31  -3.139  15.684  -4.039
  242    H    ASP  32           HN       ASP  32  -0.742  19.602  -9.145
  243    HA   ASP  32           HA       ASP  32   1.272  18.754 -10.945
  244    HB2  ASP  32           HB2      ASP  32  -0.162  20.831 -11.200
  245    HB3  ASP  32           HB1      ASP  32   0.810  21.600  -9.949
  246    H    ALA  33           HN       ALA  33   1.433  20.103  -7.699
  247    HA   ALA  33           HA       ALA  33   4.271  20.526  -7.603
  248    HB1  ALA  33           HB1      ALA  33   2.250  20.342  -5.340
  249    HB2  ALA  33           HB2      ALA  33   2.697  21.811  -6.211
  250    HB3  ALA  33           HB3      ALA  33   3.893  20.981  -5.217
  251    H    TRP  34           HN       TRP  34   2.520  17.641  -7.594
  252    HA   TRP  34           HA       TRP  34   4.126  16.174  -5.663
  253    HB2  TRP  34           HB2      TRP  34   1.612  15.809  -6.163
  254    HB3  TRP  34           HB1      TRP  34   2.114  15.016  -7.648
  255    HD1  TRP  34           HD1      TRP  34   4.626  13.803  -5.365
  256    HE1  TRP  34           HE1      TRP  34   3.932  11.607  -4.243
  257    HE3  TRP  34           HE3      TRP  34  -0.369  13.891  -6.432
  258    HZ2  TRP  34           HZ2      TRP  34   1.600  10.098  -3.867
  259    HZ3  TRP  34           HZ3      TRP  34  -1.771  12.021  -5.662
  260    HH2  TRP  34           HH2      TRP  34  -0.805  10.160  -4.396
  261    H    ASP  35           HN       ASP  35   6.053  17.003  -7.039
  262    HA   ASP  35           HA       ASP  35   6.799  15.307  -9.281
  263    HB2  ASP  35           HB2      ASP  35   8.951  16.495  -9.200
  264    HB3  ASP  35           HB1      ASP  35   7.619  17.644  -9.149
  265    H    SER  36           HN       SER  36   9.043  14.188  -9.063
  266    HA   SER  36           HA       SER  36   8.779  11.931  -7.524
  267    HB2  SER  36           HB2      SER  36  11.291  13.121  -8.745
  268    HB3  SER  36           HB1      SER  36  11.137  11.446  -8.194
  269    H    LEU  37           HN       LEU  37  10.579  14.823  -6.657
  270    HA   LEU  37           HA       LEU  37  11.745  13.695  -4.273
  271    HB2  LEU  37           HB2      LEU  37  11.520  16.566  -5.225
  272    HB3  LEU  37           HB1      LEU  37  12.319  16.117  -3.734
  273    HG   LEU  37           HG       LEU  37  14.027  16.479  -5.364
  274   HD11  LEU  37          HD11      LEU  37  13.712  13.486  -5.013
  275   HD12  LEU  37          HD12      LEU  37  14.439  14.610  -3.862
  276   HD13  LEU  37          HD13      LEU  37  15.202  14.342  -5.426
  277   HD21  LEU  37          HD21      LEU  37  12.720  16.299  -7.418
  278   HD22  LEU  37          HD22      LEU  37  12.614  14.545  -7.236
  279   HD23  LEU  37          HD23      LEU  37  14.179  15.316  -7.522
  280    H    SER  38           HN       SER  38   8.824  15.588  -4.952
  281    HA   SER  38           HA       SER  38   7.957  15.904  -2.250
  282    HB2  SER  38           HB2      SER  38   6.335  15.880  -4.831
  283    HB3  SER  38           HB1      SER  38   5.724  16.405  -3.260
  284    HG   SER  38           HG       SER  38   6.918  17.880  -5.022
  285    H    HIS  39           HN       HIS  39   7.518  13.305  -4.646
  286    HA   HIS  39           HA       HIS  39   5.788  11.589  -3.280
  287    HB2  HIS  39           HB2      HIS  39   8.128  10.941  -5.115
  288    HB3  HIS  39           HB1      HIS  39   7.147   9.667  -4.406
  289    HD2  HIS  39           HD2      HIS  39   7.033  12.211  -7.290
  290    HE1  HIS  39           HE1      HIS  39   3.429  10.066  -7.282
  291    HE2  HIS  39           HE2      HIS  39   4.783  11.823  -8.473
  292    H    MET  40           HN       MET  40   9.295  12.019  -2.868
  293    HA   MET  40           HA       MET  40   9.743   9.906  -1.041
  294    HB2  MET  40           HB2      MET  40  11.289  12.507  -1.399
  295    HB3  MET  40           HB1      MET  40  11.850  11.137  -0.442
  296    HG2  MET  40           HG2      MET  40  11.386  11.197  -3.434
  297    HG3  MET  40           HG1      MET  40  12.938  11.104  -2.594
  298    HE1  MET  40           HE1      MET  40  12.266   8.960  -0.248
  299    HE2  MET  40           HE2      MET  40  13.743   8.885  -1.212
  300    HE3  MET  40           HE3      MET  40  12.736   7.451  -1.037
  301    H    ASN  41           HN       ASN  41   9.026  13.351  -0.524
  302    HA   ASN  41           HA       ASN  41   9.091  13.363   2.312
  303    HB2  ASN  41           HB2      ASN  41   7.642  15.196   0.351
  304    HB3  ASN  41           HB1      ASN  41   7.783  15.524   2.078
  305   HD21  ASN  41          HD21      ASN  41   8.818  16.938  -0.347
  306   HD22  ASN  41          HD22      ASN  41  10.502  17.153  -0.040
  307    H    LEU  42           HN       LEU  42   6.479  12.834  -0.013
  308    HA   LEU  42           HA       LEU  42   4.280  12.704   1.702
  309    HB2  LEU  42           HB2      LEU  42   4.356  12.863  -0.849
  310    HB3  LEU  42           HB1      LEU  42   4.658  11.142  -0.891
  311    HG   LEU  42           HG       LEU  42   2.275  11.916  -1.386
  312   HD11  LEU  42          HD11      LEU  42   2.576   9.895   0.844
  313   HD12  LEU  42          HD12      LEU  42   2.732   9.577  -0.884
  314   HD13  LEU  42          HD13      LEU  42   1.175  10.069  -0.219
  315   HD21  LEU  42          HD21      LEU  42   0.809  12.479   0.481
  316   HD22  LEU  42          HD22      LEU  42   2.117  13.652   0.347
  317   HD23  LEU  42          HD23      LEU  42   2.169  12.411   1.604
  318    H    ILE  43           HN       ILE  43   6.403  10.136   0.533
  319    HA   ILE  43           HA       ILE  43   5.089   7.965   1.782
  320    HB   ILE  43           HB       ILE  43   7.698   8.350   0.337
  321   HG12  ILE  43          HG12      ILE  43   6.879   6.503  -1.062
  322   HG13  ILE  43          HG11      ILE  43   5.574   6.172   0.065
  323   HG21  ILE  43          HG21      ILE  43   8.519   7.061   2.250
  324   HG22  ILE  43          HG22      ILE  43   8.516   6.057   0.801
  325   HG23  ILE  43          HG23      ILE  43   7.251   5.856   2.017
  326   HD11  ILE  43          HD11      ILE  43   5.862   8.603  -1.682
  327   HD12  ILE  43          HD12      ILE  43   4.556   8.331  -0.528
  328   HD13  ILE  43          HD13      ILE  43   4.757   7.254  -1.910
  329    H    VAL  44           HN       VAL  44   8.064   9.781   2.765
  330    HA   VAL  44           HA       VAL  44   8.581   8.210   5.041
  331    HB   VAL  44           HB       VAL  44  10.083   9.993   5.817
  332   HG11  VAL  44          HG11      VAL  44  11.626  10.044   3.882
  333   HG12  VAL  44          HG12      VAL  44  10.322   9.482   2.830
  334   HG13  VAL  44          HG13      VAL  44  10.929   8.440   4.122
  335   HG21  VAL  44          HG21      VAL  44  10.372  12.104   4.553
  336   HG22  VAL  44          HG22      VAL  44   8.760  11.987   5.256
  337   HG23  VAL  44          HG23      VAL  44   8.994  11.680   3.534
  338    H    SER  45           HN       SER  45   6.455  10.982   4.618
  339    HA   SER  45           HA       SER  45   5.813  11.479   7.330
  340    HB2  SER  45           HB2      SER  45   4.099  11.875   4.848
  341    HB3  SER  45           HB1      SER  45   3.760  12.572   6.432
  342    HG   SER  45           HG       SER  45   5.350  13.503   4.512
  343    H    LEU  46           HN       LEU  46   4.277   9.298   4.912
  344    HA   LEU  46           HA       LEU  46   2.256   8.255   6.615
  345    HB2  LEU  46           HB2      LEU  46   3.632   7.086   4.172
  346    HB3  LEU  46           HB1      LEU  46   2.256   6.316   4.953
  347    HG   LEU  46           HG       LEU  46   2.164   9.124   3.775
  348   HD11  LEU  46          HD11      LEU  46   2.558   7.523   1.971
  349   HD12  LEU  46          HD12      LEU  46   0.923   8.176   1.883
  350   HD13  LEU  46          HD13      LEU  46   1.190   6.548   2.513
  351   HD21  LEU  46          HD21      LEU  46  -0.276   8.867   3.981
  352   HD22  LEU  46          HD22      LEU  46   0.514   8.738   5.550
  353   HD23  LEU  46          HD23      LEU  46  -0.059   7.280   4.728
  354    H    GLU  47           HN       GLU  47   5.584   7.239   6.020
  355    HA   GLU  47           HA       GLU  47   5.609   4.737   7.296
  356    HB2  GLU  47           HB2      GLU  47   7.899   6.730   6.991
  357    HB3  GLU  47           HB1      GLU  47   8.084   5.012   7.354
  358    HG2  GLU  47           HG2      GLU  47   6.787   6.060   4.822
  359    HG3  GLU  47           HG1      GLU  47   8.513   5.723   4.955
  360    H    VAL  48           HN       VAL  48   6.609   7.930   8.596
  361    HA   VAL  48           HA       VAL  48   7.275   6.952  11.172
  362    HB   VAL  48           HB       VAL  48   7.421   9.332  11.875
  363   HG11  VAL  48          HG11      VAL  48   9.240  10.003  10.333
  364   HG12  VAL  48          HG12      VAL  48   8.734   8.747   9.200
  365   HG13  VAL  48          HG13      VAL  48   9.357   8.303  10.791
  366   HG21  VAL  48          HG21      VAL  48   6.409  10.001   9.082
  367   HG22  VAL  48          HG22      VAL  48   7.031  11.161  10.258
  368   HG23  VAL  48          HG23      VAL  48   5.535  10.287  10.590
  369    H    HIS  49           HN       HIS  49   4.319   8.551   9.948
  370    HA   HIS  49           HA       HIS  49   3.064   8.956  12.444
  371    HB2  HIS  49           HB2      HIS  49   2.069   8.964   9.588
  372    HB3  HIS  49           HB1      HIS  49   0.900   9.038  10.901
  373    HD1  HIS  49           HD1      HIS  49   3.790  11.039   9.441
  374    HD2  HIS  49           HD2      HIS  49   0.603  11.518  12.057
  375    HE1  HIS  49           HE1      HIS  49   3.644  13.499   9.873
  376    HE2  HIS  49           HE2      HIS  49   1.633  13.782  11.357
  377    H    TYR  50           HN       TYR  50   2.568   6.332  10.054
  378    HA   TYR  50           HA       TYR  50   0.751   4.942  11.917
  379    HB2  TYR  50           HB2      TYR  50   1.377   4.260   9.013
  380    HB3  TYR  50           HB1      TYR  50   0.057   3.612   9.982
  381    HD1  TYR  50           HD1      TYR  50  -1.848   5.126  10.676
  382    HD2  TYR  50           HD2      TYR  50   1.166   6.418   7.945
  383    HE1  TYR  50           HE1      TYR  50  -3.234   7.052  10.048
  384    HE2  TYR  50           HE2      TYR  50  -0.224   8.335   7.309
  385    HH   TYR  50           HH       TYR  50  -2.523   9.034   7.354
  386    H    LYS  51           HN       LYS  51   4.001   4.932  11.424
  387    HA   LYS  51           HA       LYS  51   5.753   3.552  11.712
  388    HB2  LYS  51           HB2      LYS  51   3.710   2.293  13.549
  389    HB3  LYS  51           HB1      LYS  51   5.253   1.490  13.326
  390    HG2  LYS  51           HG2      LYS  51   5.417   2.808  15.314
  391    HG3  LYS  51           HG1      LYS  51   6.402   3.584  14.079
  392    HD2  LYS  51           HD2      LYS  51   5.212   5.293  15.309
  393    HD3  LYS  51           HD1      LYS  51   4.551   5.218  13.674
  394    HE2  LYS  51           HE2      LYS  51   2.599   3.990  14.473
  395    HE3  LYS  51           HE1      LYS  51   3.275   3.885  16.100
  396    HZ1  LYS  51           HZ1      LYS  51   2.588   6.415  14.728
  397    HZ2  LYS  51           HZ2      LYS  51   3.083   6.239  16.333
  398    HZ3  LYS  51           HZ3      LYS  51   1.592   5.622  15.835
  399    H    ILE  52           HN       ILE  52   4.338   3.204   9.331
  400    HA   ILE  52           HA       ILE  52   4.231   0.290   8.823
  401    HB   ILE  52           HB       ILE  52   3.056   0.871   6.702
  402   HG12  ILE  52          HG12      ILE  52   3.078   3.753   7.730
  403   HG13  ILE  52          HG11      ILE  52   4.016   3.164   6.362
  404   HG21  ILE  52          HG21      ILE  52   1.746   2.008   9.198
  405   HG22  ILE  52          HG22      ILE  52   1.734   0.323   8.682
  406   HG23  ILE  52          HG23      ILE  52   0.893   1.540   7.724
  407   HD11  ILE  52          HD11      ILE  52   1.008   3.317   6.538
  408   HD12  ILE  52          HD12      ILE  52   1.918   2.687   5.163
  409   HD13  ILE  52          HD13      ILE  52   2.070   4.384   5.620
  410    H    LYS  53           HN       LYS  53   4.898  -0.115   6.362
  411    HA   LYS  53           HA       LYS  53   7.419   1.227   5.688
  412    HB2  LYS  53           HB2      LYS  53   8.172  -0.498   7.234
  413    HB3  LYS  53           HB1      LYS  53   7.182  -1.720   6.441
  414    HG2  LYS  53           HG2      LYS  53   8.617  -1.427   4.373
  415    HG3  LYS  53           HG1      LYS  53   9.668  -0.368   5.326
  416    HD2  LYS  53           HD2      LYS  53  10.238  -2.190   6.823
  417    HD3  LYS  53           HD1      LYS  53   9.026  -3.244   6.086
  418    HE2  LYS  53           HE2      LYS  53  10.313  -3.197   3.960
  419    HE3  LYS  53           HE1      LYS  53  11.533  -2.186   4.734
  420    HZ1  LYS  53           HZ1      LYS  53  12.220  -4.462   4.722
  421    HZ2  LYS  53           HZ2      LYS  53  10.802  -4.950   5.497
  422    HZ3  LYS  53           HZ3      LYS  53  11.921  -3.982   6.316
  423    H    PHE  54           HN       PHE  54   6.871   1.794   3.616
  424    HA   PHE  54           HA       PHE  54   5.661  -0.082   1.752
  425    HB2  PHE  54           HB2      PHE  54   7.036   2.584   1.091
  426    HB3  PHE  54           HB1      PHE  54   6.011   1.634   0.024
  427    HD1  PHE  54           HD2      PHE  54   3.612   1.008   1.285
  428    HD2  PHE  54           HD1      PHE  54   5.976   4.526   1.877
  429    HE1  PHE  54           HE2      PHE  54   1.615   2.236   2.005
  430    HE2  PHE  54           HE1      PHE  54   3.970   5.744   2.600
  431    HZ   PHE  54           HZ       PHE  54   1.793   4.603   2.663
  432    H    ALA  55           HN       ALA  55   6.720  -1.476   0.486
  433    HA   ALA  55           HA       ALA  55   9.650  -1.450   0.268
  434    HB1  ALA  55           HB1      ALA  55   9.343  -3.556  -1.009
  435    HB2  ALA  55           HB2      ALA  55   7.591  -3.392  -0.869
  436    HB3  ALA  55           HB3      ALA  55   8.570  -3.645   0.576
  437    H    LEU  56           HN       LEU  56  10.675  -0.786  -1.612
  438    HA   LEU  56           HA       LEU  56   9.561   1.260  -3.096
  439    HB2  LEU  56           HB2      LEU  56  12.031   0.648  -2.600
  440    HB3  LEU  56           HB1      LEU  56  11.959  -0.381  -4.011
  441    HG   LEU  56           HG       LEU  56  13.055   1.889  -4.332
  442   HD11  LEU  56          HD11      LEU  56  12.326   0.614  -6.263
  443   HD12  LEU  56          HD12      LEU  56  12.150   2.346  -6.527
  444   HD13  LEU  56          HD13      LEU  56  10.730   1.357  -6.175
  445   HD21  LEU  56          HD21      LEU  56  11.536   3.223  -2.950
  446   HD22  LEU  56          HD22      LEU  56  10.234   2.979  -4.118
  447   HD23  LEU  56          HD23      LEU  56  11.680   3.884  -4.576
  448    H    GLY  57           HN       GLY  57   9.729  -2.182  -3.903
  449    HA2  GLY  57           HA2      GLY  57   9.009  -2.116  -6.625
  450    HA3  GLY  57           HA1      GLY  57   8.709  -3.454  -5.520
  451    H    GLU  58           HN       GLU  58   6.976  -2.414  -3.714
  452    HA   GLU  58           HA       GLU  58   4.420  -2.495  -4.953
  453    HB2  GLU  58           HB2      GLU  58   5.083  -1.379  -2.184
  454    HB3  GLU  58           HB1      GLU  58   3.510  -1.963  -2.724
  455    HG2  GLU  58           HG2      GLU  58   4.339  -4.241  -2.810
  456    HG3  GLU  58           HG1      GLU  58   5.979  -3.698  -2.438
  457    H    LEU  59           HN       LEU  59   6.544   0.091  -3.938
  458    HA   LEU  59           HA       LEU  59   4.675   2.176  -3.745
  459    HB2  LEU  59           HB2      LEU  59   7.094   1.741  -2.727
  460    HB3  LEU  59           HB1      LEU  59   7.654   2.566  -4.166
  461    HG   LEU  59           HG       LEU  59   7.423   3.902  -1.995
  462   HD11  LEU  59          HD11      LEU  59   6.036   5.036  -4.427
  463   HD12  LEU  59          HD12      LEU  59   7.777   5.018  -4.134
  464   HD13  LEU  59          HD13      LEU  59   6.721   5.956  -3.082
  465   HD21  LEU  59          HD21      LEU  59   4.482   3.853  -2.692
  466   HD22  LEU  59          HD22      LEU  59   5.240   4.803  -1.415
  467   HD23  LEU  59          HD23      LEU  59   5.229   3.047  -1.313
  468    H    GLN  60           HN       GLN  60   6.917   1.180  -6.339
  469    HA   GLN  60           HA       GLN  60   6.261   3.270  -8.144
  470    HB2  GLN  60           HB2      GLN  60   7.339   0.506  -8.792
  471    HB3  GLN  60           HB1      GLN  60   7.407   1.916  -9.848
  472    HG2  GLN  60           HG2      GLN  60   8.802   1.734  -7.156
  473    HG3  GLN  60           HG1      GLN  60   9.558   1.305  -8.682
  474   HE21  GLN  60          HE21      GLN  60   7.482   4.195  -8.107
  475   HE22  GLN  60          HE22      GLN  60   8.737   5.324  -8.379
  476    H    LYS  61           HN       LYS  61   4.550   0.417  -7.275
  477    HA   LYS  61           HA       LYS  61   2.856   0.338  -9.655
  478    HB2  LYS  61           HB2      LYS  61   2.662  -1.193  -7.025
  479    HB3  LYS  61           HB1      LYS  61   1.630  -1.465  -8.430
  480    HG2  LYS  61           HG2      LYS  61   4.631  -1.896  -8.295
  481    HG3  LYS  61           HG1      LYS  61   3.391  -3.156  -8.287
  482    HD2  LYS  61           HD2      LYS  61   2.697  -2.457 -10.584
  483    HD3  LYS  61           HD1      LYS  61   3.965  -1.228 -10.585
  484    HE2  LYS  61           HE2      LYS  61   5.678  -2.998 -10.394
  485    HE3  LYS  61           HE1      LYS  61   4.408  -4.226 -10.386
  486    HZ1  LYS  61           HZ1      LYS  61   4.911  -2.328 -12.601
  487    HZ2  LYS  61           HZ2      LYS  61   3.786  -3.590 -12.593
  488    HZ3  LYS  61           HZ3      LYS  61   5.441  -3.932 -12.556
  489    H    LEU  62           HN       LEU  62   3.015   2.269  -6.904
  490    HA   LEU  62           HA       LEU  62   0.138   2.591  -6.536
  491    HB2  LEU  62           HB2      LEU  62   2.409   4.153  -5.236
  492    HB3  LEU  62           HB1      LEU  62   0.707   4.211  -4.788
  493    HG   LEU  62           HG       LEU  62   2.679   1.938  -4.364
  494   HD11  LEU  62          HD11      LEU  62   0.922   3.448  -2.414
  495   HD12  LEU  62          HD12      LEU  62   2.655   3.676  -2.648
  496   HD13  LEU  62          HD13      LEU  62   2.051   2.148  -2.013
  497   HD21  LEU  62          HD21      LEU  62   0.631   0.897  -5.217
  498   HD22  LEU  62          HD22      LEU  62  -0.333   1.749  -4.007
  499   HD23  LEU  62          HD23      LEU  62   0.852   0.540  -3.508
  500    H    LYS  63           HN       LYS  63  -0.614   3.378  -8.399
  501    HA   LYS  63           HA       LYS  63   0.704   5.345 -10.027
  502    HB2  LYS  63           HB2      LYS  63  -0.660   3.294 -10.787
  503    HB3  LYS  63           HB1      LYS  63  -2.107   4.187 -10.352
  504    HG2  LYS  63           HG2      LYS  63  -0.104   5.203 -12.396
  505    HG3  LYS  63           HG1      LYS  63  -1.419   4.110 -12.831
  506    HD2  LYS  63           HD2      LYS  63  -3.054   5.830 -11.993
  507    HD3  LYS  63           HD1      LYS  63  -1.698   6.919 -11.683
  508    HE2  LYS  63           HE2      LYS  63  -2.599   5.851 -14.379
  509    HE3  LYS  63           HE1      LYS  63  -2.700   7.517 -13.802
  510    HZ1  LYS  63           HZ1      LYS  63  -0.193   6.005 -14.323
  511    HZ2  LYS  63           HZ2      LYS  63  -0.282   7.599 -13.771
  512    HZ3  LYS  63           HZ3      LYS  63  -0.854   7.212 -15.310
  513    H    ASN  64           HN       ASN  64  -1.787   5.370  -7.574
  514    HA   ASN  64           HA       ASN  64  -1.933   8.244  -7.539
  515    HB2  ASN  64           HB2      ASN  64  -4.411   8.396  -7.967
  516    HB3  ASN  64           HB1      ASN  64  -3.476   7.957  -9.385
  517   HD21  ASN  64          HD21      ASN  64  -3.265   5.117  -8.813
  518   HD22  ASN  64          HD22      ASN  64  -4.840   4.459  -8.993
  519    H    VAL  65           HN       VAL  65  -3.980   8.829  -5.991
  520    HA   VAL  65           HA       VAL  65  -3.240   7.879  -3.411
  521    HB   VAL  65           HB       VAL  65  -5.547   9.703  -4.268
  522   HG11  VAL  65          HG11      VAL  65  -6.068   8.711  -2.046
  523   HG12  VAL  65          HG12      VAL  65  -5.735  10.437  -1.913
  524   HG13  VAL  65          HG13      VAL  65  -4.508   9.261  -1.433
  525   HG21  VAL  65          HG21      VAL  65  -2.836  10.353  -3.061
  526   HG22  VAL  65          HG22      VAL  65  -4.093  11.528  -3.458
  527   HG23  VAL  65          HG23      VAL  65  -3.308  10.608  -4.740
  528    H    GLY  66           HN       GLY  66  -5.651   6.876  -5.687
  529    HA2  GLY  66           HA2      GLY  66  -7.355   5.347  -4.035
  530    HA3  GLY  66           HA1      GLY  66  -7.015   5.033  -5.735
  531    H    ASP  67           HN       ASP  67  -4.274   4.612  -5.645
  532    HA   ASP  67           HA       ASP  67  -4.020   1.932  -4.698
  533    HB2  ASP  67           HB2      ASP  67  -1.972   3.882  -5.817
  534    HB3  ASP  67           HB1      ASP  67  -1.545   2.256  -5.304
  535    H    LEU  68           HN       LEU  68  -2.739   5.095  -3.502
  536    HA   LEU  68           HA       LEU  68  -1.329   4.083  -1.284
  537    HB2  LEU  68           HB2      LEU  68  -2.503   6.786  -1.927
  538    HB3  LEU  68           HB1      LEU  68  -2.045   6.493  -0.270
  539    HG   LEU  68           HG       LEU  68  -0.254   7.663  -1.300
  540   HD11  LEU  68          HD11      LEU  68   1.641   6.165  -1.001
  541   HD12  LEU  68          HD12      LEU  68   0.559   4.770  -1.017
  542   HD13  LEU  68          HD13      LEU  68   0.442   5.970   0.274
  543   HD21  LEU  68          HD21      LEU  68  -0.179   5.550  -3.485
  544   HD22  LEU  68          HD22      LEU  68   0.936   6.910  -3.314
  545   HD23  LEU  68          HD23      LEU  68  -0.765   7.207  -3.660
  546    H    ALA  69           HN       ALA  69  -4.739   4.812  -1.717
  547    HA   ALA  69           HA       ALA  69  -5.590   4.815   0.962
  548    HB1  ALA  69           HB1      ALA  69  -7.852   4.432   0.023
  549    HB2  ALA  69           HB2      ALA  69  -7.129   4.058  -1.544
  550    HB3  ALA  69           HB3      ALA  69  -6.972   5.678  -0.867
  551    H    ASP  70           HN       ASP  70  -5.770   2.292  -1.482
  552    HA   ASP  70           HA       ASP  70  -6.551   0.137   0.171
  553    HB2  ASP  70           HB2      ASP  70  -5.129   0.152  -2.528
  554    HB3  ASP  70           HB1      ASP  70  -5.634  -1.337  -1.730
  555    H    LEU  71           HN       LEU  71  -3.298   1.239  -0.829
  556    HA   LEU  71           HA       LEU  71  -1.940  -1.093   0.062
  557    HB2  LEU  71           HB2      LEU  71  -1.243   0.665  -1.761
  558    HB3  LEU  71           HB1      LEU  71  -0.513   1.528  -0.430
  559    HG   LEU  71           HG       LEU  71   1.083   0.127  -1.789
  560   HD11  LEU  71          HD11      LEU  71   0.926  -0.680   1.111
  561   HD12  LEU  71          HD12      LEU  71   1.714   0.754   0.453
  562   HD13  LEU  71          HD13      LEU  71   2.332  -0.845   0.053
  563   HD21  LEU  71          HD21      LEU  71   1.109  -2.290  -1.568
  564   HD22  LEU  71          HD22      LEU  71  -0.414  -1.753  -2.273
  565   HD23  LEU  71          HD23      LEU  71  -0.352  -2.245  -0.578
  566    H    VAL  72           HN       VAL  72  -2.040   2.240   1.425
  567    HA   VAL  72           HA       VAL  72  -0.613   1.772   3.781
  568    HB   VAL  72           HB       VAL  72  -2.907   3.738   3.300
  569   HG11  VAL  72          HG11      VAL  72  -2.041   5.020   5.262
  570   HG12  VAL  72          HG12      VAL  72  -0.892   3.719   5.594
  571   HG13  VAL  72          HG13      VAL  72  -2.625   3.419   5.730
  572   HG21  VAL  72          HG21      VAL  72  -1.104   5.426   2.966
  573   HG22  VAL  72          HG22      VAL  72  -0.980   4.116   1.793
  574   HG23  VAL  72          HG23      VAL  72   0.114   4.163   3.179
  575    H    ASP  73           HN       ASP  73  -4.039   1.226   3.009
  576    HA   ASP  73           HA       ASP  73  -4.860   0.445   5.639
  577    HB2  ASP  73           HB2      ASP  73  -6.364   1.278   3.776
  578    HB3  ASP  73           HB1      ASP  73  -6.169  -0.279   2.989
  579    H    LYS  74           HN       LYS  74  -3.506  -1.268   2.894
  580    HA   LYS  74           HA       LYS  74  -3.880  -3.956   3.809
  581    HB2  LYS  74           HB2      LYS  74  -1.742  -2.846   1.930
  582    HB3  LYS  74           HB1      LYS  74  -1.959  -4.561   2.261
  583    HG2  LYS  74           HG2      LYS  74  -3.985  -2.738   0.922
  584    HG3  LYS  74           HG1      LYS  74  -2.950  -3.905   0.101
  585    HD2  LYS  74           HD2      LYS  74  -5.061  -4.631   2.186
  586    HD3  LYS  74           HD1      LYS  74  -5.333  -4.667   0.440
  587    HE2  LYS  74           HE2      LYS  74  -3.591  -6.390   0.190
  588    HE3  LYS  74           HE1      LYS  74  -3.252  -6.317   1.921
  589    HZ1  LYS  74           HZ1      LYS  74  -4.653  -8.187   1.367
  590    HZ2  LYS  74           HZ2      LYS  74  -5.819  -7.162   0.701
  591    HZ3  LYS  74           HZ3      LYS  74  -5.485  -7.101   2.356
  592    H    LYS  75           HN       LYS  75  -1.433  -1.479   4.359
  593    HA   LYS  75           HA       LYS  75   0.396  -3.058   5.873
  594    HB2  LYS  75           HB2      LYS  75  -0.040  -0.035   5.840
  595    HB3  LYS  75           HB1      LYS  75   1.336  -0.848   6.585
  596    HG2  LYS  75           HG2      LYS  75   0.662  -0.882   3.623
  597    HG3  LYS  75           HG1      LYS  75   1.886   0.141   4.388
  598    HD2  LYS  75           HD2      LYS  75   3.168  -1.856   5.046
  599    HD3  LYS  75           HD1      LYS  75   1.919  -2.912   4.375
  600    HE2  LYS  75           HE2      LYS  75   2.390  -2.053   2.122
  601    HE3  LYS  75           HE1      LYS  75   3.592  -0.941   2.779
  602    HZ1  LYS  75           HZ1      LYS  75   3.733  -3.891   2.930
  603    HZ2  LYS  75           HZ2      LYS  75   4.897  -2.804   3.497
  604    HZ3  LYS  75           HZ3      LYS  75   4.587  -2.923   1.841
  605    H    LEU  76           HN       LEU  76  -2.383  -0.986   6.684
  606    HA   LEU  76           HA       LEU  76  -2.180  -1.164   9.531
  607    HB2  LEU  76           HB2      LEU  76  -4.588  -0.531   7.773
  608    HB3  LEU  76           HB1      LEU  76  -4.541  -0.310   9.518
  609    HG   LEU  76           HG       LEU  76  -2.862   1.202   7.473
  610   HD11  LEU  76          HD11      LEU  76  -4.166   3.176   8.124
  611   HD12  LEU  76          HD12      LEU  76  -5.157   2.183   9.197
  612   HD13  LEU  76          HD13      LEU  76  -5.195   1.911   7.454
  613   HD21  LEU  76          HD21      LEU  76  -1.563   0.893   9.531
  614   HD22  LEU  76          HD22      LEU  76  -2.892   1.532  10.500
  615   HD23  LEU  76          HD23      LEU  76  -2.044   2.577   9.357
  616    H    ALA  77           HN       ALA  77  -3.669  -3.173   7.070
  617    HA   ALA  77           HA       ALA  77  -5.036  -4.981   8.844
  618    HB1  ALA  77           HB1      ALA  77  -5.290  -6.406   6.839
  619    HB2  ALA  77           HB2      ALA  77  -4.179  -5.358   5.950
  620    HB3  ALA  77           HB3      ALA  77  -5.732  -4.731   6.499
  621    H    ARG  78           HN       ARG  78  -1.806  -4.791   7.388
  622    HA   ARG  78           HA       ARG  78  -0.873  -7.321   8.403
  623    HB2  ARG  78           HB2      ARG  78   0.664  -4.899   7.372
  624    HB3  ARG  78           HB1      ARG  78   1.443  -6.395   7.888
  625    HG2  ARG  78           HG2      ARG  78  -0.424  -6.011   5.525
  626    HG3  ARG  78           HG1      ARG  78   1.297  -6.397   5.485
  627    HD2  ARG  78           HD2      ARG  78  -0.986  -8.194   6.389
  628    HD3  ARG  78           HD1      ARG  78   0.070  -8.422   4.992
  629    HE   ARG  78           HE       ARG  78   0.869  -8.717   7.829
  630   HH11  ARG  78          HH11      ARG  78   1.495  -9.479   4.467
  631   HH12  ARG  78          HH12      ARG  78   2.664 -10.698   4.859
  632   HH21  ARG  78          HH21      ARG  78   2.383 -10.294   8.301
  633   HH22  ARG  78          HH22      ARG  78   3.180 -11.149   7.022
  634    H    LYS  79           HN       LYS  79  -1.376  -4.213   9.844
  635    HA   LYS  79           HA       LYS  79   0.313  -4.728  12.150
  636    HB2  LYS  79           HB2      LYS  79  -1.879  -2.641  11.736
  637    HB3  LYS  79           HB1      LYS  79  -0.795  -2.701  13.123
  638    HG2  LYS  79           HG2      LYS  79  -0.005  -2.173  10.243
  639    HG3  LYS  79           HG1      LYS  79  -0.082  -0.980  11.546
  640    HD2  LYS  79           HD2      LYS  79   1.731  -2.184  12.734
  641    HD3  LYS  79           HD1      LYS  79   1.805  -3.378  11.435
  642    HE2  LYS  79           HE2      LYS  79   2.542  -1.651   9.857
  643    HE3  LYS  79           HE1      LYS  79   2.365  -0.407  11.097
  644    HZ1  LYS  79           HZ1      LYS  79   4.657  -1.115  10.835
  645    HZ2  LYS  79           HZ2      LYS  79   4.231  -2.699  11.238
  646    HZ3  LYS  79           HZ3      LYS  79   4.078  -1.469  12.386
  647    H    LEU  80           HN       LEU  80  -3.249  -4.238  11.867
  648    HA   LEU  80           HA       LEU  80  -4.869  -4.518  13.463
  649    HB2  LEU  80           HB2      LEU  80  -3.897  -7.374  13.101
  650    HB3  LEU  80           HB1      LEU  80  -5.430  -6.933  13.845
  651    HG   LEU  80           HG       LEU  80  -4.624  -6.523  10.940
  652   HD11  LEU  80          HD11      LEU  80  -5.239  -8.802  11.479
  653   HD12  LEU  80          HD12      LEU  80  -6.483  -8.058  10.477
  654   HD13  LEU  80          HD13      LEU  80  -6.750  -8.260  12.213
  655   HD21  LEU  80          HD21      LEU  80  -5.933  -4.579  11.639
  656   HD22  LEU  80          HD22      LEU  80  -7.189  -5.625  12.306
  657   HD23  LEU  80          HD23      LEU  80  -6.883  -5.601  10.567
  658    H    GLU  81           HN       GLU  81  -2.930  -3.447  14.765
  659    HA   GLU  81           HA       GLU  81  -1.415  -4.999  16.582
  660    HB2  GLU  81           HB2      GLU  81  -1.142  -2.465  15.525
  661    HB3  GLU  81           HB1      GLU  81  -1.720  -2.047  17.128
  662    HG2  GLU  81           HG2      GLU  81   0.777  -3.624  16.441
  663    HG3  GLU  81           HG1      GLU  81   0.699  -1.978  17.068
  664    H    HIS  82           HN       HIS  82  -1.571  -5.231  18.781
  665    HA   HIS  82           HA       HIS  82  -3.958  -5.791  20.001
  666    HB2  HIS  82           HB2      HIS  82  -1.378  -4.928  21.394
  667    HB3  HIS  82           HB1      HIS  82  -2.693  -5.832  22.141
  668    HD1  HIS  82           HD1      HIS  82   0.301  -6.230  19.991
  669    HD2  HIS  82           HD2      HIS  82  -2.874  -8.558  21.309
  670    HE1  HIS  82           HE1      HIS  82   0.932  -8.590  19.433
  671    HE2  HIS  82           HE2      HIS  82  -0.889  -9.988  20.473
  672    H    HIS  83           HN       HIS  83  -1.989  -2.859  20.598
  673    HA   HIS  83           HA       HIS  83  -4.001  -0.947  20.593
  674    HB2  HIS  83           HB2      HIS  83  -4.942  -2.046  22.598
  675    HB3  HIS  83           HB1      HIS  83  -3.394  -1.937  23.426
  676    HD1  HIS  83           HD1      HIS  83  -3.919  -0.373  25.303
  677    HD2  HIS  83           HD2      HIS  83  -5.374   1.030  21.692
  678    HE1  HIS  83           HE1      HIS  83  -4.780   1.930  25.782
  679    HE2  HIS  83           HE2      HIS  83  -5.857   2.658  23.629
  680    H    HIS  84           HN       HIS  84  -0.939  -2.033  21.932
  681    HA   HIS  84           HA       HIS  84   0.936  -1.087  22.744
  682    HB2  HIS  84           HB2      HIS  84   0.215   1.015  20.678
  683    HB3  HIS  84           HB1      HIS  84   1.626   1.225  21.700
  684    HD1  HIS  84           HD1      HIS  84   1.330   0.633  18.468
  685    HD2  HIS  84           HD2      HIS  84   2.855  -1.816  21.451
  686    HE1  HIS  84           HE1      HIS  84   2.999  -0.865  17.328
  687    HE2  HIS  84           HE2      HIS  84   4.048  -2.174  19.198
  688    H    HIS  85           HN       HIS  85  -0.779   1.951  22.286
  689    HA   HIS  85           HA       HIS  85  -1.741   2.462  24.866
  690    HB2  HIS  85           HB2      HIS  85  -0.072   4.167  25.651
  691    HB3  HIS  85           HB1      HIS  85   0.619   2.553  25.591
  692    HD1  HIS  85           HD1      HIS  85   1.131   5.972  24.343
  693    HD2  HIS  85           HD2      HIS  85   2.452   2.159  23.367
  694    HE1  HIS  85           HE1      HIS  85   3.139   6.304  22.866
  695    HE2  HIS  85           HE2      HIS  85   4.052   3.991  22.515
  696    H    HIS  86           HN       HIS  86  -2.007   2.821  21.816
  697    HA   HIS  86           HA       HIS  86  -2.822   5.628  21.712
  698    HB2  HIS  86           HB2      HIS  86  -0.420   5.586  20.953
  699    HB3  HIS  86           HB1      HIS  86  -0.852   4.424  19.709
  700    HD1  HIS  86           HD1      HIS  86  -0.896   8.051  20.500
  701    HD2  HIS  86           HD2      HIS  86  -2.341   5.550  17.516
  702    HE1  HIS  86           HE1      HIS  86  -1.510   9.566  18.597
  703    HE2  HIS  86           HE2      HIS  86  -2.567   8.051  16.896
  704    H    HIS  87           HN       HIS  87  -4.855   4.526  21.768
  705    HA   HIS  87           HA       HIS  87  -6.145   4.608  19.313
  706    HB2  HIS  87           HB2      HIS  87  -5.068   2.261  19.093
  707    HB3  HIS  87           HB1      HIS  87  -6.154   1.745  20.378
  708    HD1  HIS  87           HD1      HIS  87  -8.714   1.624  19.773
  709    HD2  HIS  87           HD2      HIS  87  -6.226   2.600  16.594
  710    HE1  HIS  87           HE1      HIS  87 -10.117   1.362  17.712
  711    HE2  HIS  87           HE2      HIS  87  -8.621   2.036  15.804
  712   H282  PNS  88          H282      PNS  88   7.334  11.665 -10.686
  713   H281  PNS  88          H281      PNS  88   7.279  11.569 -12.440
  714   H303  PNS  88          H303      PNS  88   4.756  11.304 -11.138
  715   H302  PNS  88          H302      PNS  88   4.866  10.716 -12.798
  716   H301  PNS  88          H301      PNS  88   4.179   9.677 -11.532
  717   H313  PNS  88          H313      PNS  88   6.094  10.071  -9.294
  718   H312  PNS  88          H312      PNS  88   5.544   8.515  -9.931
  719   H311  PNS  88          H311      PNS  88   7.270   8.840  -9.750
  720    H32  PNS  88           H32      PNS  88   6.894   9.224 -13.498
  721    H33  PNS  88           H33      PNS  88   8.013   7.307 -12.814
  722    H36  PNS  88           H36      PNS  88   5.873   6.992 -10.897
  723   H372  PNS  88          H372      PNS  88   3.581   6.030 -12.510
  724   H371  PNS  88          H371      PNS  88   4.727   4.899 -11.756
  725   H382  PNS  88          H382      PNS  88   2.742   5.175 -10.340
  726   H381  PNS  88          H381      PNS  88   4.176   5.816  -9.542
  727    H41  PNS  88           H41      PNS  88   2.582   6.917  -8.236
  728   H422  PNS  88          H422      PNS  88   2.389   9.603  -8.481
  729   H421  PNS  88          H421      PNS  88   0.885   9.014  -9.208
  730   H431  PNS  88          H431      PNS  88   0.277   7.884  -7.153
  731   H432  PNS  88          H432      PNS  88   0.680   9.558  -6.772
  732    H44  PNS  88           H44      PNS  88   2.883   9.109  -5.380