*HEADER    SIGNALING PROTEIN                       29-OCT-99   1D9S              
*TITLE     TUMOR SUPPRESSOR P15(INK4B) STRUCTURE BY COMPARATIVE                  
*TITLE    2 MODELING AND NMR DATA                                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CYCLIN-DEPENDENT KINASE 4 INHIBITOR B;                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
*SOURCE   3 ORGANISM_COMMON: MOUSE;                                              
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_VECTOR: PGEX-2T                                    
*KEYWDS    HELIX-TURN-HELIX, ANKYRIN REPEAT                                      
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    C.YUAN, T.L.SELBY, I.J.L.BYEON, M.D.TSAI                              
*REVDAT   1   28-JUL-00 1D9S    0                                                
!--------------------------------------------------------------------------
!hbonds for p15 helix
!--------------------------------------------------------------------------
assign (resid    8 and  name O    )(resid   12 and  name N    ) 3.3 0.8 0.2
assign (resid    9 and  name O    )(resid   13 and  name N    ) 3.3 0.8 0.2
assign (resid   10 and  name O    )(resid   14 and  name N    ) 3.3 0.8 0.2
assign (resid   11 and  name O    )(resid   15 and  name N    ) 3.3 0.8 0.2
assign (resid   12 and  name O    )(resid   16 and  name N    ) 3.3 0.8 0.2
assign (resid   19 and  name O    )(resid   23 and  name N    ) 3.3 0.8 0.2
assign (resid   20 and  name O    )(resid   24 and  name N    ) 3.3 0.8 0.2
assign (resid   21 and  name O    )(resid   25 and  name N    ) 3.3 0.8 0.2
assign (resid   22 and  name O    )(resid   26 and  name N    ) 3.3 0.8 0.2
assign (resid   23 and  name O    )(resid   27 and  name N    ) 3.3 0.8 0.2
assign (resid   24 and  name O    )(resid   28 and  name N    ) 3.3 0.8 0.2
assign (resid   51 and  name O    )(resid   55 and  name N    ) 3.3 0.8 0.2
assign (resid   52 and  name O    )(resid   56 and  name N    ) 3.3 0.8 0.2
assign (resid   53 and  name O    )(resid   57 and  name N    ) 3.3 0.8 0.2
assign (resid   54 and  name O    )(resid   58 and  name N    ) 3.3 0.8 0.2
assign (resid   55 and  name O    )(resid   59 and  name N    ) 3.3 0.8 0.2
assign (resid   56 and  name O    )(resid   60 and  name N    ) 3.3 0.8 0.2
assign (resid   76 and  name O    )(resid   80 and  name N    ) 3.3 0.8 0.2
assign (resid   77 and  name O    )(resid   81 and  name N    ) 3.3 0.8 0.2
assign (resid   78 and  name O    )(resid   82 and  name N    ) 3.3 0.8 0.2
assign (resid   85 and  name O    )(resid   89 and  name N    ) 3.3 0.8 0.2
assign (resid   86 and  name O    )(resid   90 and  name N    ) 3.3 0.8 0.2
assign (resid   87 and  name O    )(resid   91 and  name N    ) 3.3 0.8 0.2
assign (resid   88 and  name O    )(resid   92 and  name N    ) 3.3 0.8 0.2
assign (resid   89 and  name O    )(resid   93 and  name N    ) 3.3 0.8 0.2
assign (resid   90 and  name O    )(resid   94 and  name N    ) 3.3 0.8 0.2
assign (resid  109 and  name O    )(resid  113 and  name N    ) 3.3 0.8 0.2
assign (resid  110 and  name O    )(resid  114 and  name N    ) 3.3 0.8 0.2
assign (resid  111 and  name O    )(resid  115 and  name N    ) 3.3 0.8 0.2
assign (resid  118 and  name O    )(resid  122 and  name N    ) 3.3 0.8 0.2
assign (resid  119 and  name O    )(resid  123 and  name N    ) 3.3 0.8 0.2
assign (resid  120 and  name O    )(resid  124 and  name N    ) 3.3 0.8 0.2
assign (resid  121 and  name O    )(resid  125 and  name N    ) 3.3 0.8 0.2
assign (resid  122 and  name O    )(resid  126 and  name N    ) 3.3 0.8 0.2
assign (resid  123 and  name O    )(resid  127 and  name N    ) 3.3 0.8 0.2
!--------------------------------------------------------------------------
assign (resid    8 and  name O    )(resid   12 and  name HN   ) 2.3 0.8 0.2
assign (resid    9 and  name O    )(resid   13 and  name HN   ) 2.3 0.8 0.2
assign (resid   10 and  name O    )(resid   14 and  name HN   ) 2.3 0.8 0.2
assign (resid   11 and  name O    )(resid   15 and  name HN   ) 2.3 0.8 0.2
assign (resid   12 and  name O    )(resid   16 and  name HN   ) 2.3 0.8 0.2
assign (resid   19 and  name O    )(resid   23 and  name HN   ) 2.3 0.8 0.2
assign (resid   20 and  name O    )(resid   24 and  name HN   ) 2.3 0.8 0.2
assign (resid   21 and  name O    )(resid   25 and  name HN   ) 2.3 0.8 0.2
assign (resid   22 and  name O    )(resid   26 and  name HN   ) 2.3 0.8 0.2
assign (resid   23 and  name O    )(resid   27 and  name HN   ) 2.3 0.8 0.2
assign (resid   24 and  name O    )(resid   28 and  name HN   ) 2.3 0.8 0.2
assign (resid   51 and  name O    )(resid   55 and  name HN   ) 2.3 0.8 0.2
assign (resid   52 and  name O    )(resid   56 and  name HN   ) 2.3 0.8 0.2
assign (resid   53 and  name O    )(resid   57 and  name HN   ) 2.3 0.8 0.2
assign (resid   54 and  name O    )(resid   58 and  name HN   ) 2.3 0.8 0.2
assign (resid   55 and  name O    )(resid   59 and  name HN   ) 2.3 0.8 0.2
assign (resid   56 and  name O    )(resid   60 and  name HN   ) 2.3 0.8 0.2
assign (resid   76 and  name O    )(resid   80 and  name HN   ) 2.3 0.8 0.2
assign (resid   77 and  name O    )(resid   81 and  name HN   ) 2.3 0.8 0.2
assign (resid   78 and  name O    )(resid   82 and  name HN   ) 2.3 0.8 0.2
assign (resid   85 and  name O    )(resid   89 and  name HN   ) 2.3 0.8 0.2
assign (resid   86 and  name O    )(resid   90 and  name HN   ) 2.3 0.8 0.2
assign (resid   87 and  name O    )(resid   91 and  name HN   ) 2.3 0.8 0.2
assign (resid   88 and  name O    )(resid   92 and  name HN   ) 2.3 0.8 0.2
assign (resid   89 and  name O    )(resid   93 and  name HN   ) 2.3 0.8 0.2
assign (resid   90 and  name O    )(resid   94 and  name HN   ) 2.3 0.8 0.2
assign (resid  109 and  name O    )(resid  113 and  name HN   ) 2.3 0.8 0.2
assign (resid  110 and  name O    )(resid  114 and  name HN   ) 2.3 0.8 0.2
assign (resid  111 and  name O    )(resid  115 and  name HN   ) 2.3 0.8 0.2
assign (resid  118 and  name O    )(resid  122 and  name HN   ) 2.3 0.8 0.2
assign (resid  119 and  name O    )(resid  123 and  name HN   ) 2.3 0.8 0.2
assign (resid  120 and  name O    )(resid  124 and  name HN   ) 2.3 0.8 0.2
assign (resid  121 and  name O    )(resid  125 and  name HN   ) 2.3 0.8 0.2
assign (resid  122 and  name O    )(resid  126 and  name HN   ) 2.3 0.8 0.2
assign (resid  123 and  name O    )(resid  127 and  name HN   ) 2.3 0.8 0.2
!--------------------------------------------------------------------------
!long range NOEs (i-j>5)
!--------------------------------------------------------------------------
assign (resid    6 and  name HB1  )(resid   25 and  name CG   ) 3.0 1.2 2.7 
assign (resid    6 and  name HB2  )(resid   25 and  name CG   ) 3.0 1.2 2.7 
assign (resid    7 and  name HA   )(resid   34 and  name CB   ) 3.0 1.2 1.7 
assign (resid    7 and  name HB1  )(resid   34 and  name CB   ) 3.0 1.2 2.2 
assign (resid    7 and  name HB2  )(resid   34 and  name CB   ) 3.0 1.2 2.2 
assign (resid    9 and  name CA   )(resid   25 and  name CD1  ) 4.0 2.2 3.0 
assign (resid    9 and  name CA   )(resid   25 and  name CD2  ) 4.0 2.2 3.0 
assign (resid   11 and  name CB   )(resid   36 and  name HA   ) 5.0 3.2 2.0 
assign (resid   11 and  name CB   )(resid   36 and  name CB   ) 4.0 2.2 3.0 
assign (resid   11 and  name HA   )(resid   42 and  name HA   ) 5.0 3.2 1.0 
assign (resid   11 and  name CB   )(resid   42 and  name HA   ) 3.0 1.2 1.7 
assign (resid   11 and  name HA   )(resid   45 and  name CG1  ) 3.0 1.2 1.7 
assign (resid   11 and  name CB   )(resid   45 and  name CG1  ) 2.5 0.7 2.2 
assign (resid   13 and  name CB   )(resid   21 and  name HA   ) 4.0 2.2 2.0 
assign (resid   13 and  name CB   )(resid   21 and  name HB   ) 3.0 1.2 1.7 
assign (resid   13 and  name CB   )(resid   22 and  name HA   ) 4.0 2.2 2.5 
assign (resid   13 and  name HN   )(resid   22 and  name CB   ) 3.0 1.2 3.2 
assign (resid   14 and  name CB   )(resid   46 and  name HA   ) 4.0 2.2 2.0 
assign (resid   15 and  name CB   )(resid   45 and  name HA   ) 4.0 2.2 2.5 
assign (resid   15 and  name CB   )(resid   45 and  name HA   ) 3.0 1.2 2.2 
assign (resid   15 and  name HN   )(resid   45 and  name CG1  ) 4.0 2.2 2.0 
assign (resid   15 and  name HA   )(resid   46 and  name HA   ) 3.0 1.2 0.7 
assign (resid   15 and  name CB   )(resid   46 and  name HA   ) 4.0 2.2 2.5 
assign (resid   15 and  name CB   )(resid   47 and  name HN   ) 4.0 2.2 2.0 
assign (resid   17 and  name HA1  )(resid   47 and  name CE   ) 4.0 2.2 2.5 
assign (resid   17 and  name HA2  )(resid   47 and  name CE   ) 4.0 2.2 2.5 
assign (resid   17 and  name HN   )(resid   53 and  name CB   ) 5.0 3.2 3.0 
assign (resid   17 and  name HA1  )(resid   53 and  name CG2  ) 4.0 2.2 3.0 
assign (resid   17 and  name HA2  )(resid   53 and  name CG2  ) 4.0 2.2 3.0 
assign (resid   19 and  name CG1  )(resid   52 and  name HN   ) 5.0 3.2 2.0 
assign (resid   19 and  name CG2  )(resid   52 and  name HN   ) 4.0 2.2 2.0 
assign (resid   19 and  name CG1  )(resid   52 and  name HE21 ) 5.0 3.2 2.0 
assign (resid   19 and  name CG2  )(resid   52 and  name HE21 ) 5.0 3.2 2.0 
assign (resid   19 and  name CG1  )(resid   52 and  name HE22 ) 5.0 3.2 2.0 
assign (resid   19 and  name CG2  )(resid   52 and  name HE22 ) 5.0 3.2 2.0 
assign (resid   19 and  name CG1  )(resid   52 and  name HA   ) 3.0 1.2 1.7 
assign (resid   19 and  name CG2  )(resid   52 and  name HA   ) 3.0 1.2 1.7 
assign (resid   19 and  name CG1  )(resid   52 and  name CB   ) 3.0 1.2 3.7 
assign (resid   19 and  name CG2  )(resid   52 and  name CB   ) 3.0 1.2 3.7 
assign (resid   19 and  name CG1  )(resid   52 and  name HG1  ) 3.0 1.2 1.7 
assign (resid   19 and  name CG2  )(resid   52 and  name HG1  ) 3.0 1.2 1.7 
assign (resid   19 and  name CG1  )(resid   52 and  name HG2  ) 3.0 1.2 1.7 
assign (resid   19 and  name CG2  )(resid   52 and  name HG2  ) 3.0 1.2 1.7 
assign (resid   19 and  name HA   )(resid   53 and  name CG1  ) 3.0 1.2 1.7 
assign (resid   19 and  name HA   )(resid   53 and  name CG2  ) 3.0 1.2 1.7 
assign (resid   19 and  name CG1  )(resid   53 and  name HA   ) 4.0 2.2 2.5 
assign (resid   19 and  name CG1  )(resid   53 and  name HN   ) 4.0 2.2 2.5 
assign (resid   23 and  name HA   )(resid   56 and  name CD1  ) 4.0 2.2 2.0 
assign (resid   23 and  name HA   )(resid   56 and  name CD2  ) 4.0 2.2 2.0 
assign (resid   26 and  name CD1  )(resid   60 and  name HA   ) 5.0 3.2 2.0 
assign (resid   26 and  name CD2  )(resid   60 and  name HA   ) 5.0 3.2 2.0 
assign (resid   26 and  name CD1  )(resid   60 and  name HB1  ) 4.0 2.2 2.0 
assign (resid   26 and  name CD1  )(resid   60 and  name HB2  ) 4.0 2.2 2.0 
assign (resid   26 and  name CD2  )(resid   60 and  name HB1  ) 4.0 2.2 2.0 
assign (resid   26 and  name CD2  )(resid   60 and  name HB2  ) 4.0 2.2 2.0 
assign (resid   26 and  name CG   )(resid   60 and  name HB1  ) 3.0 1.2 2.7 
assign (resid   26 and  name CG   )(resid   60 and  name HB2  ) 3.0 1.2 2.7 
assign (resid   27 and  name HA   )(resid   60 and  name HE1  ) 4.0 2.2 1.0 
assign (resid   27 and  name CB   )(resid   60 and  name HE1  ) 5.0 3.2 2.0 
assign (resid   27 and  name HG1  )(resid   60 and  name HE1  ) 4.0 2.2 1.0 
assign (resid   27 and  name HG2  )(resid   60 and  name HE1  ) 4.0 2.2 1.0 
assign (resid   32 and  name HA   )(resid   57 and  name CG   ) 3.0 1.2 2.7 
assign (resid   43 and  name CG2  )(resid   54 and  name HN   ) 4.0 2.2 2.5 
assign (resid   43 and  name CD1  )(resid   54 and  name HA   ) 4.0 2.2 2.5 
assign (resid   43 and  name CD1  )(resid   54 and  name CB   ) 4.0 2.2 4.0 
assign (resid   43 and  name HA   )(resid   57 and  name CG   ) 4.0 2.2 3.0 
assign (resid   43 and  name CD1  )(resid   62 and  name CB   ) 2.5 0.7 3.2 
assign (resid   43 and  name CD1  )(resid   64 and  name HA   ) 4.0 2.2 2.0 
assign (resid   43 and  name CG2  )(resid   64 and  name HA   ) 4.0 2.2 2.0 
assign (resid   43 and  name CG2  )(resid   75 and  name HA   ) 5.0 3.2 2.0 
assign (resid   43 and  name CD1  )(resid   91 and  name CG   ) 3.0 1.2 3.7 
assign (resid   46 and  name CE   )(resid   54 and  name HA   ) 5.0 3.2 2.0 
assign (resid   46 and  name CE   )(resid   54 and  name HN   ) 4.0 2.2 2.0 
assign (resid   46 and  name CE   )(resid   79 and  name CB   ) 3.0 1.2 2.7 
assign (resid   46 and  name CE   )(resid   87 and  name HA   ) 5.0 3.2 2.0 
assign (resid   46 and  name CE   )(resid   87 and  name CG2  ) 2.5 0.7 3.2 
assign (resid   46 and  name CE   )(resid   91 and  name CG   ) 4.0 2.2 4.0 
assign (resid   48 and  name CE   )(resid   54 and  name HA   ) 5.0 3.2 2.0 
assign (resid   48 and  name CE   )(resid   75 and  name HA   ) 3.0 1.2 1.7 
assign (resid   48 and  name CE   )(resid   78 and  name CB   ) 4.0 2.2 2.0 
assign (resid   48 and  name CE   )(resid   79 and  name HA   ) 4.0 2.2 2.0 
assign (resid   48 and  name CE   )(resid   79 and  name CB   ) 3.0 1.2 2.7 
assign (resid   48 and  name CE   )(resid   87 and  name CG2  ) 4.0 2.2 3.5 
assign (resid   48 and  name CE   )(resid   91 and  name CG   ) 4.0 2.2 4.0 
assign (resid   51 and  name CB   )(resid   86 and  name HN   ) 5.0 3.2 2.0 
assign (resid   51 and  name CB   )(resid   86 and  name HA   ) 3.0 1.2 2.2 
assign (resid   51 and  name CB   )(resid   86 and  name HB1  ) 3.0 1.2 2.2 
assign (resid   51 and  name CB   )(resid   86 and  name HB2  ) 3.0 1.2 2.2 
assign (resid   51 and  name CB   )(resid   87 and  name HN   ) 4.0 2.2 2.0 
assign (resid   51 and  name CB   )(resid   87 and  name HA   ) 3.0 1.2 2.2 
assign (resid   51 and  name HA   )(resid   90 and  name CG2  ) 4.0 2.2 2.5 
assign (resid   51 and  name HA   )(resid   90 and  name CG1  ) 4.0 2.2 2.5 
assign (resid   54 and  name CB   )(resid   87 and  name CG2  ) 2.5 0.7 2.2 
assign (resid   54 and  name CB   )(resid   87 and  name HA   ) 4.0 2.2 2.0 
assign (resid   54 and  name CB   )(resid   87 and  name HB   ) 3.0 1.2 1.7 
assign (resid   54 and  name CB   )(resid   90 and  name HB   ) 4.0 2.2 2.0 
assign (resid   54 and  name CB   )(resid   90 and  name CG1  ) 3.0 1.2 3.2 
assign (resid   54 and  name CB   )(resid   90 and  name CG2  ) 3.0 1.2 3.2 
assign (resid   55 and  name HA   )(resid   90 and  name CG1  ) 3.0 1.2 2.2 
assign (resid   55 and  name HA   )(resid   90 and  name CG2  ) 4.0 2.2 2.0 
assign (resid   55 and  name CB   )(resid   90 and  name CG1  ) 3.0 1.2 3.2 
assign (resid   55 and  name HB1  )(resid   90 and  name CG1  ) 4.0 2.2 2.0 
assign (resid   55 and  name HB1  )(resid   90 and  name CG2  ) 4.0 2.2 2.0 
assign (resid   55 and  name CB   )(resid   90 and  name CG2  ) 3.0 1.2 3.2 
assign (resid   55 and  name HB2  )(resid   90 and  name CG1  ) 4.0 2.2 2.0 
assign (resid   55 and  name HB2  )(resid   90 and  name CG2  ) 4.0 2.2 2.0 
assign (resid   55 and  name CG   )(resid   90 and  name CG1  ) 3.0 1.2 3.2 
assign (resid   55 and  name HG1  )(resid   90 and  name CG1  ) 4.0 2.2 2.0 
assign (resid   55 and  name HG1  )(resid   90 and  name CG2  ) 4.0 2.2 2.0 
assign (resid   55 and  name CG   )(resid   90 and  name CG2  ) 3.0 1.2 3.2 
assign (resid   55 and  name HG2  )(resid   90 and  name CG1  ) 4.0 2.2 2.0 
assign (resid   55 and  name HG2  )(resid   90 and  name CG2  ) 4.0 2.2 2.0 
assign (resid   55 and  name HA   )(resid   94 and  name CB   ) 5.0 3.2 2.5 
assign (resid   58 and  name CG   )(resid   94 and  name HA   ) 4.0 2.2 3.5 
assign (resid   64 and  name HA   )(resid   75 and  name CG   ) 3.0 1.2 1.7 
assign (resid   64 and  name HA   )(resid   96 and  name HA   ) 5.0 3.2 1.0 
assign (resid   64 and  name HA   )(resid   96 and  name CB   ) 4.0 2.2 2.5 
assign (resid   64 and  name CG   )(resid   96 and  name HA   ) 4.0 2.2 2.0 
assign (resid   67 and  name HA   )(resid   74 and  name HA   ) 5.0 3.2 1.0 
assign (resid   67 and  name CB   )(resid   74 and  name HA   ) 4.0 2.2 2.5 
assign (resid   67 and  name CB   )(resid   74 and  name CD   ) 4.0 2.2 3.5 
assign (resid   71 and  name HA   )(resid  103 and  name CB   ) 2.5 0.7 2.2 
assign (resid   71 and  name HB   )(resid  103 and  name CB   ) 4.0 2.2 2.5 
assign (resid   71 and  name CG2  )(resid  103 and  name CB   ) 4.0 2.2 3.5 
assign (resid   71 and  name CG2  )(resid  104 and  name HE3  ) 4.0 2.2 2.5 
assign (resid   71 and  name CG2  )(resid  104 and  name HH2  ) 4.0 2.2 2.5 
assign (resid   71 and  name CG2  )(resid  104 and  name HZ3  ) 4.0 2.2 2.5 
assign (resid   72 and  name CD1  )(resid  102 and  name HA   ) 4.0 2.2 2.5 
assign (resid   72 and  name CD2  )(resid  102 and  name HA   ) 4.0 2.2 2.5 
assign (resid   72 and  name CB   )(resid  103 and  name CB   ) 4.0 2.2 3.0 
assign (resid   72 and  name CG   )(resid  103 and  name HA   ) 3.0 1.2 2.7 
assign (resid   72 and  name CD1  )(resid  103 and  name HA   ) 3.0 1.2 1.7 
assign (resid   72 and  name CD2  )(resid  103 and  name HA   ) 3.0 1.2 1.7 
assign (resid   72 and  name CG   )(resid  103 and  name CB   ) 3.0 1.2 3.7 
assign (resid   72 and  name HG   )(resid  103 and  name HA   ) 5.0 3.2 1.0 
assign (resid   72 and  name HG   )(resid  103 and  name CB   ) 4.0 2.2 2.0 
assign (resid   73 and  name HA   )(resid  100 and  name CG2  ) 5.0 3.2 2.0 
assign (resid   73 and  name CG2  )(resid  102 and  name HA   ) 4.0 2.2 2.0 
assign (resid   73 and  name CG2  )(resid  103 and  name HA   ) 5.0 3.2 2.0 
assign (resid   74 and  name HA   )(resid  100 and  name HB   ) 5.0 3.2 1.0 
assign (resid   74 and  name HA   )(resid  100 and  name CG1  ) 5.0 3.2 3.0 
assign (resid   74 and  name CD   )(resid  100 and  name HB   ) 5.0 3.2 2.0 
assign (resid   74 and  name CD   )(resid  100 and  name CG2  ) 3.0 1.2 2.7 
assign (resid   76 and  name HN   )(resid   91 and  name CG   ) 4.0 2.2 3.0 
assign (resid   76 and  name HA   )(resid   91 and  name CG   ) 4.0 2.2 3.0 
assign (resid   77 and  name HE1  )(resid  100 and  name CG2  ) 4.0 2.2 2.0 
assign (resid   77 and  name HA   )(resid  108 and  name HA   ) 4.0 2.2 1.0 
assign (resid   77 and  name HA   )(resid  111 and  name CG   ) 4.0 2.2 3.0 
assign (resid   77 and  name CB   )(resid  111 and  name CG   ) 4.0 2.2 4.0 
assign (resid   77 and  name HD2  )(resid  111 and  name CG   ) 3.0 1.2 3.2 
assign (resid   79 and  name CB   )(resid   87 and  name HN   ) 4.0 2.2 2.0 
assign (resid   80 and  name HN   )(resid   88 and  name CG   ) 3.0 1.2 4.2 
assign (resid   80 and  name HA   )(resid  120 and  name CD1  ) 3.0 1.2 1.7 
assign (resid   80 and  name CB   )(resid  120 and  name CD1  ) 2.5 0.7 2.2 
assign (resid   83 and  name HN   )(resid  120 and  name CD1  ) 4.0 2.2 2.5 
assign (resid   83 and  name HA1  )(resid  120 and  name CD1  ) 3.0 1.2 1.7 
assign (resid   83 and  name HA2  )(resid  120 and  name CD1  ) 3.0 1.2 1.7 
assign (resid   84 and  name HN   )(resid  120 and  name CD1  ) 3.0 1.2 1.7 
assign (resid   85 and  name CG   )(resid  117 and  name HA   ) 5.0 3.2 3.0 
assign (resid   85 and  name CG   )(resid  119 and  name CB   ) 3.0 1.2 3.7 
assign (resid   85 and  name CG   )(resid  119 and  name CB   ) 3.0 1.2 4.2 
assign (resid   85 and  name HN   )(resid  120 and  name CD1  ) 4.0 2.2 2.5 
assign (resid   85 and  name HA   )(resid  120 and  name CD1  ) 4.0 2.2 2.5 
assign (resid   85 and  name CG   )(resid  120 and  name CD1  ) 3.0 1.2 3.7 
assign (resid   85 and  name CG   )(resid  120 and  name HA   ) 3.0 1.2 2.7 
assign (resid   85 and  name CG   )(resid  120 and  name HN   ) 4.0 2.2 3.0 
assign (resid   85 and  name CB   )(resid  120 and  name CD1  ) 4.0 2.2 3.0 
assign (resid   85 and  name CD1  )(resid  123 and  name CB   ) 3.0 1.2 3.2 
assign (resid   85 and  name CD2  )(resid  123 and  name CB   ) 3.0 1.2 3.2 
assign (resid   85 and  name CG   )(resid  123 and  name CG   ) 4.0 2.2 5.0 
assign (resid   85 and  name CD1  )(resid  123 and  name CZ   ) 4.0 2.2 5.0 
assign (resid   85 and  name CD2  )(resid  123 and  name CZ   ) 4.0 2.2 5.0 
assign (resid   88 and  name CG   )(resid   98 and  name CD1  ) 4.0 2.2 4.0 
assign (resid   88 and  name CG   )(resid   98 and  name CD2  ) 4.0 2.2 4.0 
assign (resid   88 and  name CG   )(resid  123 and  name HB1  ) 4.0 2.2 3.5 
assign (resid   88 and  name CG   )(resid  123 and  name HB2  ) 4.0 2.2 3.5 
assign (resid   88 and  name CG   )(resid  123 and  name CG   ) 4.0 2.2 4.7 
assign (resid   88 and  name CG   )(resid  123 and  name CZ   ) 4.0 2.2 4.7 
assign (resid   89 and  name CG1  )(resid  123 and  name CZ   ) 4.0 2.2 4.5 
assign (resid   89 and  name CG2  )(resid  123 and  name CZ   ) 4.0 2.2 4.5 
assign (resid   89 and  name CG1  )(resid  123 and  name CG   ) 5.0 3.2 4.5 
assign (resid   89 and  name CG2  )(resid  123 and  name CG   ) 5.0 3.2 4.5 
assign (resid   92 and  name HA   )(resid   96 and  name CB   ) 3.0 1.2 1.7 
assign (resid   92 and  name HA   )(resid   98 and  name CD1  ) 4.0 2.2 2.5 
assign (resid   92 and  name HA   )(resid   98 and  name CD2  ) 4.0 2.2 2.5 
assign (resid   92 and  name CB   )(resid   98 and  name CD1  ) 5.0 3.2 3.0 
assign (resid   92 and  name CB   )(resid   98 and  name CD2  ) 5.0 3.2 3.0 
assign (resid   92 and  name HE1  )(resid   98 and  name CG   ) 4.0 2.2 3.0 
assign (resid   92 and  name HD2  )(resid   98 and  name CD1  ) 4.0 2.2 2.0 
assign (resid   92 and  name HD2  )(resid   98 and  name CD2  ) 4.0 2.2 2.0 
assign (resid   92 and  name HE1  )(resid  123 and  name CZ   ) 4.0 2.2 3.0 
assign (resid   92 and  name HE1  )(resid  123 and  name CG   ) 5.0 3.2 3.0 
assign (resid   92 and  name HD2  )(resid  123 and  name CZ   ) 5.0 3.2 3.0 
assign (resid   92 and  name HE1  )(resid  127 and  name HA   ) 4.0 2.2 3.0 
assign (resid   92 and  name HE1  )(resid  127 and  name CB   ) 2.5 0.7 1.7 
assign (resid   98 and  name CG   )(resid  123 and  name CG   ) 4.0 2.2 5.0 
assign (resid   98 and  name CG   )(resid  123 and  name CZ   ) 4.0 2.2 4.0 
assign (resid   98 and  name CD1  )(resid  124 and  name HA   ) 4.0 2.2 3.0 
assign (resid   98 and  name CD2  )(resid  124 and  name HA   ) 4.0 2.2 3.0 
assign (resid   98 and  name CD1  )(resid  127 and  name CB   ) 3.0 1.2 3.7 
assign (resid   98 and  name CD2  )(resid  127 and  name CB   ) 3.0 1.2 3.7 
assign (resid   98 and  name CG   )(resid  128 and  name HA   ) 5.0 3.2 2.0 
assign (resid   98 and  name CG   )(resid  128 and  name HB   ) 5.0 3.2 3.0 
assign (resid   98 and  name CD1  )(resid  128 and  name CG2  ) 4.0 2.2 3.0 
assign (resid   98 and  name CD2  )(resid  128 and  name CG2  ) 4.0 2.2 3.0 
assign (resid   99 and  name HA   )(resid  107 and  name CG   ) 3.0 1.2 2.7 
assign (resid   99 and  name HB1  )(resid  107 and  name CG   ) 5.0 3.2 3.0 
assign (resid   99 and  name HB2  )(resid  107 and  name CG   ) 5.0 3.2 3.0 
assign (resid  101 and  name HA   )(resid  107 and  name CB   ) 4.0 2.2 2.0 
assign (resid  101 and  name HA   )(resid  107 and  name CD1  ) 4.0 2.2 2.5 
assign (resid  101 and  name HA   )(resid  107 and  name CD2  ) 4.0 2.2 2.5 
assign (resid  109 and  name HN   )(resid  124 and  name CG   ) 4.0 2.2 3.0 
assign (resid  109 and  name HA   )(resid  124 and  name CG   ) 4.0 2.2 3.0 
assign (resid  113 and  name HG1  )(resid  121 and  name CB   ) 3.0 1.2 1.7 
assign (resid  113 and  name HG2  )(resid  121 and  name CB   ) 3.0 1.2 1.7 
!--------------------------------------------------------------------------
!HN(i)-HN(i+1)
!--------------------------------------------------------------------------
assign (resid   11 and  name HN   )(resid   12 and  name HN   ) 4.0 2.2 1.0 
assign (resid   12 and  name HN   )(resid   13 and  name HN   ) 3.0 1.2 1.7 
assign (resid   13 and  name HN   )(resid   14 and  name HN   ) 3.0 1.2 1.7 
assign (resid   15 and  name HN   )(resid   16 and  name HN   ) 4.0 2.2 1.0 
assign (resid   16 and  name HN   )(resid   17 and  name HN   ) 3.0 1.2 1.7 
assign (resid   17 and  name HN   )(resid   18 and  name HN   ) 4.0 2.2 1.0 
assign (resid   19 and  name HN   )(resid   20 and  name HN   ) 4.0 2.2 1.0 
assign (resid   20 and  name HN   )(resid   21 and  name HN   ) 4.0 2.2 1.0 
assign (resid   21 and  name HN   )(resid   22 and  name HN   ) 3.0 1.2 0.7 
assign (resid   27 and  name HN   )(resid   28 and  name HN   ) 3.0 1.2 0.7 
assign (resid   28 and  name HN   )(resid   29 and  name HN   ) 3.0 1.2 0.7 
assign (resid   29 and  name HN   )(resid   30 and  name HN   ) 2.5 0.7 0.2 
assign (resid   30 and  name HN   )(resid   31 and  name HN   ) 4.0 2.2 1.0 
assign (resid   33 and  name HN   )(resid   34 and  name HN   ) 2.5 0.7 0.2 
assign (resid   34 and  name HN   )(resid   35 and  name HN   ) 4.0 2.2 1.0 
assign (resid   38 and  name HN   )(resid   39 and  name HN   ) 4.0 2.2 1.0 
assign (resid   39 and  name HN   )(resid   40 and  name HN   ) 3.0 1.2 0.7 
assign (resid   43 and  name HN   )(resid   44 and  name HN   ) 4.0 2.2 1.0 
assign (resid   44 and  name HN   )(resid   45 and  name HN   ) 4.0 2.2 1.0 
assign (resid   49 and  name HN   )(resid   50 and  name HN   ) 3.0 1.2 0.7 
assign (resid   50 and  name HN   )(resid   51 and  name HN   ) 5.0 3.2 1.0 
assign (resid   51 and  name HN   )(resid   52 and  name HN   ) 3.0 1.2 0.7 
assign (resid   52 and  name HN   )(resid   53 and  name HN   ) 3.0 1.2 0.7 
assign (resid   53 and  name HN   )(resid   54 and  name HN   ) 3.0 1.2 0.7 
assign (resid   54 and  name HN   )(resid   55 and  name HN   ) 4.0 2.2 1.0 
assign (resid   59 and  name HN   )(resid   60 and  name HN   ) 4.0 2.2 1.0 
assign (resid   60 and  name HN   )(resid   61 and  name HN   ) 3.0 1.2 0.7 
assign (resid   61 and  name HN   )(resid   62 and  name HN   ) 3.0 1.2 0.7 
assign (resid   65 and  name HN   )(resid   66 and  name HN   ) 4.0 2.2 1.0 
assign (resid   66 and  name HN   )(resid   67 and  name HN   ) 4.0 2.2 1.0 
assign (resid   77 and  name HN   )(resid   78 and  name HN   ) 4.0 2.2 1.0 
assign (resid   82 and  name HN   )(resid   83 and  name HN   ) 4.0 2.2 1.0 
assign (resid   83 and  name HN   )(resid   84 and  name HN   ) 3.0 1.2 0.7 
assign (resid   86 and  name HN   )(resid   87 and  name HN   ) 3.0 1.2 0.7 
assign (resid   87 and  name HN   )(resid   88 and  name HN   ) 4.0 2.2 1.0 
assign (resid   88 and  name HN   )(resid   89 and  name HN   ) 4.0 2.2 1.0 
assign (resid   89 and  name HN   )(resid   90 and  name HN   ) 4.0 2.2 1.0 
assign (resid   93 and  name HN   )(resid   94 and  name HN   ) 4.0 2.2 1.0 
assign (resid   94 and  name HN   )(resid   95 and  name HN   ) 3.0 1.2 0.7 
assign (resid   95 and  name HN   )(resid   96 and  name HN   ) 3.0 1.2 0.7 
assign (resid  105 and  name HN   )(resid  106 and  name HN   ) 4.0 2.2 1.0 
assign (resid  110 and  name HN   )(resid  111 and  name HN   ) 4.0 2.2 1.0 
assign (resid  111 and  name HN   )(resid  112 and  name HN   ) 4.0 2.2 1.0 
assign (resid  112 and  name HN   )(resid  113 and  name HN   ) 4.0 2.2 1.0 
assign (resid  113 and  name HN   )(resid  114 and  name HN   ) 4.0 2.2 1.0 
assign (resid  115 and  name HN   )(resid  116 and  name HN   ) 3.0 1.2 0.7 
assign (resid  116 and  name HN   )(resid  117 and  name HN   ) 2.5 0.7 0.2 
assign (resid  121 and  name HN   )(resid  122 and  name HN   ) 3.0 1.2 0.7 
assign (resid  122 and  name HN   )(resid  123 and  name HN   ) 4.0 2.2 1.0 
assign (resid  123 and  name HN   )(resid  124 and  name HN   ) 4.0 2.2 1.0 
assign (resid  125 and  name HN   )(resid  126 and  name HN   ) 3.0 1.2 0.7 
assign (resid  128 and  name HN   )(resid  129 and  name HN   ) 2.5 0.7 0.2 
assign (resid  129 and  name HN   )(resid  130 and  name HN   ) 3.0 1.2 0.7 
!--------------------------------------------------------------------------
!HA(i)-HN(i+1)
!--------------------------------------------------------------------------
assign (resid   18 and  name HA   )(resid   19 and  name HN   ) 2.5 0.7 0.2 
assign (resid   27 and  name HA   )(resid   28 and  name HN   ) 3.0 1.2 0.7 
assign (resid   29 and  name HA1  )(resid   30 and  name HN   ) 4.0 2.2 1.0 
assign (resid   29 and  name HA2  )(resid   30 and  name HN   ) 4.0 2.2 1.0 
assign (resid   30 and  name HA   )(resid   31 and  name HN   ) 2.5 0.7 0.2 
assign (resid   32 and  name HA   )(resid   33 and  name HN   ) 4.0 2.2 1.0 
assign (resid   33 and  name HA   )(resid   34 and  name HN   ) 3.0 1.2 0.7 
assign (resid   39 and  name HA1  )(resid   40 and  name HN   ) 4.0 2.2 1.0 
assign (resid   39 and  name HA2  )(resid   40 and  name HN   ) 4.0 2.2 1.0 
assign (resid   46 and  name HA   )(resid   47 and  name HN   ) 4.0 2.2 1.0 
assign (resid   50 and  name HA   )(resid   51 and  name HN   ) 2.5 0.7 0.2 
assign (resid   53 and  name HA   )(resid   54 and  name HN   ) 4.0 2.2 1.0 
assign (resid   59 and  name HA   )(resid   60 and  name HN   ) 4.0 2.2 1.0 
assign (resid   61 and  name HA1  )(resid   62 and  name HN   ) 4.0 2.2 1.0 
assign (resid   61 and  name HA2  )(resid   62 and  name HN   ) 4.0 2.2 1.0 
assign (resid   66 and  name HA   )(resid   67 and  name HN   ) 2.5 0.7 0.2 
assign (resid   84 and  name HA   )(resid   85 and  name HN   ) 4.0 2.2 1.0 
assign (resid   86 and  name HA   )(resid   87 and  name HN   ) 3.0 1.2 0.7 
assign (resid   90 and  name HA   )(resid   91 and  name HN   ) 4.0 2.2 1.0 
assign (resid   93 and  name HA   )(resid   94 and  name HN   ) 4.0 2.2 1.0 
assign (resid   98 and  name HA   )(resid   99 and  name HN   ) 4.0 2.2 1.0 
assign (resid  100 and  name HA   )(resid  101 and  name HN   ) 2.5 0.7 0.2 
assign (resid  117 and  name HA   )(resid  118 and  name HN   ) 3.0 1.2 0.7 
assign (resid  121 and  name HA   )(resid  122 and  name HN   ) 4.0 2.2 1.0 
assign (resid  127 and  name HA   )(resid  128 and  name HN   ) 3.0 1.2 0.7 
assign (resid  129 and  name HA1  )(resid  130 and  name HN   ) 3.0 1.2 0.7 
assign (resid  129 and  name HA2  )(resid  130 and  name HN   ) 3.0 1.2 0.7 
!--------------------------------------------------------------------------
!HB(i)-HN(i+1)
!--------------------------------------------------------------------------
assign (resid   11 and  name CB   )(resid   12 and  name HN   ) 2.5 0.7 1.2 
assign (resid   12 and  name CB   )(resid   13 and  name HN   ) 2.5 0.7 1.7 
assign (resid   14 and  name CB   )(resid   15 and  name HN   ) 5.0 3.2 2.0 
assign (resid   15 and  name CB   )(resid   16 and  name HN   ) 3.0 1.2 1.7 
assign (resid   18 and  name CB   )(resid   19 and  name HN   ) 4.0 2.2 2.0 
assign (resid   22 and  name HB   )(resid   23 and  name HN   ) 5.0 3.2 1.0 
assign (resid   24 and  name CB   )(resid   25 and  name HN   ) 5.0 3.2 2.0 
assign (resid   27 and  name CB   )(resid   28 and  name HN   ) 3.0 1.2 2.2 
assign (resid   28 and  name CB   )(resid   29 and  name HN   ) 2.5 0.7 1.2 
assign (resid   30 and  name CB   )(resid   31 and  name HN   ) 3.0 1.2 2.2 
assign (resid   48 and  name CB   )(resid   49 and  name HN   ) 3.0 1.2 1.7 
assign (resid   51 and  name CB   )(resid   52 and  name HN   ) 3.0 1.2 1.7 
assign (resid   53 and  name HB   )(resid   54 and  name HN   ) 4.0 2.2 1.0 
assign (resid   54 and  name CB   )(resid   55 and  name HN   ) 3.0 1.2 1.7 
assign (resid   59 and  name CB   )(resid   60 and  name HN   ) 3.0 1.2 1.7 
assign (resid   80 and  name CB   )(resid   81 and  name HN   ) 3.0 1.2 1.7 
assign (resid   85 and  name CB   )(resid   86 and  name HN   ) 3.0 1.2 1.7 
assign (resid   86 and  name HB1  )(resid   87 and  name HN   ) 4.0 2.2 1.0 
assign (resid   86 and  name HB2  )(resid   87 and  name HN   ) 4.0 2.2 1.0 
assign (resid   92 and  name CB   )(resid   93 and  name HN   ) 3.0 1.2 1.7 
assign (resid   93 and  name CB   )(resid   94 and  name HN   ) 3.0 1.2 1.7 
assign (resid   94 and  name CB   )(resid   95 and  name HN   ) 4.0 2.2 2.0 
assign (resid  100 and  name HB   )(resid  101 and  name HN   ) 4.0 2.2 1.0 
assign (resid  100 and  name CG1  )(resid  101 and  name HN   ) 2.5 0.7 2.2 
assign (resid  100 and  name CG2  )(resid  101 and  name HN   ) 4.0 2.2 2.5 
assign (resid  112 and  name CB   )(resid  113 and  name HN   ) 2.5 0.7 1.2 
assign (resid  120 and  name HB   )(resid  121 and  name HN   ) 3.0 1.2 0.7 
assign (resid  121 and  name CB   )(resid  122 and  name HN   ) 3.0 1.2 1.7 
assign (resid  122 and  name CB   )(resid  123 and  name HN   ) 3.0 1.2 1.7 
assign (resid  125 and  name CB   )(resid  126 and  name HN   ) 3.0 1.2 1.7 
assign (resid  126 and  name CB   )(resid  127 and  name HN   ) 2.5 0.7 1.7 
!--------------------------------------------------------------------------
!HA(i)-HB(i+3)
!--------------------------------------------------------------------------
assign (resid   11 and  name HA   )(resid   14 and  name CB   ) 4.0 2.2 2.0 
assign (resid   12 and  name HA   )(resid   15 and  name CB   ) 3.0 1.2 1.7 
assign (resid   18 and  name HA   )(resid   21 and  name HB   ) 4.0 2.2 1.0 
assign (resid   19 and  name HA   )(resid   22 and  name HB   ) 4.0 2.2 1.0 
assign (resid   21 and  name HA   )(resid   24 and  name HB1  ) 4.0 2.2 1.0 
assign (resid   21 and  name HA   )(resid   24 and  name HB2  ) 4.0 2.2 1.0 
assign (resid   22 and  name HA   )(resid   25 and  name CB   ) 4.0 2.2 2.0 
assign (resid   23 and  name HA   )(resid   26 and  name CB   ) 4.0 2.2 2.0 
assign (resid   51 and  name HA   )(resid   54 and  name CB   ) 3.0 1.2 1.7 
assign (resid   52 and  name HA   )(resid   55 and  name CB   ) 4.0 2.2 2.0 
assign (resid   53 and  name HA   )(resid   56 and  name CB   ) 4.0 2.2 2.0 
assign (resid   55 and  name HA   )(resid   58 and  name HB1  ) 4.0 2.2 1.0 
assign (resid   55 and  name HA   )(resid   58 and  name HB2  ) 4.0 2.2 1.0 
assign (resid   76 and  name HA   )(resid   79 and  name CB   ) 4.0 2.2 2.0 
assign (resid   78 and  name HA   )(resid   81 and  name CB   ) 4.0 2.2 2.0 
assign (resid   79 and  name HA   )(resid   82 and  name CB   ) 4.0 2.2 2.0 
assign (resid   86 and  name HA   )(resid   89 and  name HB   ) 4.0 2.2 1.0 
assign (resid   87 and  name HA   )(resid   90 and  name HB   ) 3.0 1.2 0.7 
assign (resid   89 and  name HA   )(resid   92 and  name CB   ) 4.0 2.2 2.0 
assign (resid   90 and  name HA   )(resid   93 and  name CB   ) 3.0 1.2 1.7 
assign (resid   91 and  name HA   )(resid   94 and  name CB   ) 3.0 1.2 2.2 
assign (resid  109 and  name HA   )(resid  112 and  name CB   ) 4.0 2.2 2.0 
assign (resid  110 and  name HA   )(resid  113 and  name CB   ) 3.0 1.2 1.7 
assign (resid  111 and  name HA   )(resid  114 and  name CB   ) 3.0 1.2 1.7 
assign (resid  112 and  name HA   )(resid  115 and  name CB   ) 4.0 2.2 2.0 
assign (resid  118 and  name HA   )(resid  121 and  name CB   ) 2.5 0.7 1.7 
assign (resid  119 and  name HA   )(resid  122 and  name CB   ) 3.0 1.2 1.7 
assign (resid  120 and  name HA   )(resid  123 and  name CB   ) 4.0 2.2 2.0 
assign (resid  121 and  name HA   )(resid  124 and  name CB   ) 4.0 2.2 2.0 
assign (resid  122 and  name HA   )(resid  125 and  name CB   ) 3.0 1.2 1.7 
assign (resid  123 and  name HA   )(resid  126 and  name CB   ) 3.0 1.2 1.7 
assign (resid  124 and  name HA   )(resid  127 and  name CB   ) 4.0 2.2 2.0 
!--------------------------------------------------------------------------
!Other short range NOE (1<=i-j<=5)
!--------------------------------------------------------------------------
assign (resid   12 and  name HN   )(resid   14 and  name HN   ) 5.0 3.2 1.0 
assign (resid   16 and  name CG   )(resid   18 and  name HN   ) 4.0 2.2 2.0 
assign (resid   16 and  name CG   )(resid   18 and  name HG1  ) 4.0 2.2 2.0 
assign (resid   16 and  name CG   )(resid   18 and  name HG2  ) 4.0 2.2 2.0 
assign (resid   18 and  name HG1  )(resid   21 and  name CG2  ) 4.0 2.2 2.5 
assign (resid   18 and  name HG2  )(resid   21 and  name CG2  ) 4.0 2.2 2.5 
assign (resid   19 and  name CG1  )(resid   20 and  name HN   ) 4.0 2.2 2.0 
assign (resid   19 and  name CG2  )(resid   20 and  name HN   ) 3.0 1.2 1.7 
assign (resid   20 and  name CG   )(resid   21 and  name HN   ) 4.0 2.2 2.0 
assign (resid   21 and  name HN   )(resid   23 and  name HN   ) 5.0 3.2 1.0 
assign (resid   21 and  name HA   )(resid   24 and  name CG   ) 5.0 3.2 3.0 
assign (resid   21 and  name HA   )(resid   25 and  name CG   ) 4.0 2.2 3.0 
assign (resid   21 and  name HB   )(resid   25 and  name CG   ) 4.0 2.2 3.0 
assign (resid   22 and  name HA   )(resid   25 and  name CG   ) 4.0 2.2 3.0 
assign (resid   23 and  name HA   )(resid   26 and  name CB   ) 4.0 2.2 2.0 
assign (resid   25 and  name CG   )(resid   28 and  name HN   ) 4.0 2.2 3.0 
assign (resid   25 and  name CG   )(resid   30 and  name HA   ) 4.0 2.2 3.5 
assign (resid   26 and  name HA   )(resid   30 and  name HN   ) 4.0 2.2 2.0 
assign (resid   26 and  name CD1  )(resid   30 and  name CB   ) 3.0 1.2 2.7 
assign (resid   26 and  name CD2  )(resid   30 and  name CB   ) 3.0 1.2 2.7 
assign (resid   27 and  name CG   )(resid   28 and  name HN   ) 5.0 3.2 2.0 
assign (resid   29 and  name HN   )(resid   30 and  name CB   ) 4.0 2.2 3.0 
assign (resid   28 and  name CB   )(resid   30 and  name HN   ) 4.0 2.2 2.5 
assign (resid   31 and  name HB1  )(resid   34 and  name CB   ) 3.0 1.2 1.7 
assign (resid   31 and  name HB2  )(resid   34 and  name CB   ) 3.0 1.2 1.7 
assign (resid   33 and  name HN   )(resid   34 and  name CB   ) 3.0 1.2 2.2 
assign (resid   35 and  name CD1  )(resid   36 and  name HN   ) 4.0 2.2 2.0 
assign (resid   35 and  name CD2  )(resid   36 and  name HN   ) 4.0 2.2 2.0 
assign (resid   35 and  name CG   )(resid   36 and  name HA   ) 5.0 3.2 3.0 
assign (resid   35 and  name CD1  )(resid   39 and  name HN   ) 5.0 3.2 2.5 
assign (resid   35 and  name CD2  )(resid   39 and  name HN   ) 5.0 3.2 2.5 
assign (resid   35 and  name CD1  )(resid   39 and  name HA1  ) 4.0 2.2 2.5 
assign (resid   35 and  name CD1  )(resid   39 and  name HA2  ) 4.0 2.2 2.5 
assign (resid   35 and  name CD2  )(resid   39 and  name HA1  ) 4.0 2.2 2.5 
assign (resid   35 and  name CD2  )(resid   39 and  name HA2  ) 4.0 2.2 2.5 
assign (resid   42 and  name HA   )(resid   45 and  name CG1  ) 3.0 1.2 2.2 
assign (resid   43 and  name HG11 )(resid   46 and  name CE   ) 5.0 3.2 2.0 
assign (resid   43 and  name HG12 )(resid   46 and  name CE   ) 5.0 3.2 2.0 
assign (resid   43 and  name CD1  )(resid   46 and  name CE   ) 3.0 1.2 2.7 
assign (resid   43 and  name CD1  )(resid   48 and  name CE   ) 4.0 2.2 3.0 
assign (resid   46 and  name CE   )(resid   48 and  name HA   ) 4.0 2.2 2.0 
assign (resid   46 and  name CE   )(resid   48 and  name CE   ) 4.0 2.2 3.0 
assign (resid   47 and  name CE   )(resid   50 and  name HN   ) 4.0 2.2 2.0 
assign (resid   47 and  name CE   )(resid   50 and  name HB2  ) 5.0 3.2 2.0 
assign (resid   47 and  name CE   )(resid   50 and  name HB1  ) 5.0 3.2 2.0 
assign (resid   50 and  name HA   )(resid   53 and  name CG1  ) 4.0 2.2 3.5 
assign (resid   50 and  name HA   )(resid   53 and  name CG1  ) 5.0 3.2 3.5 
assign (resid   50 and  name HB1  )(resid   53 and  name CG1  ) 5.0 3.2 2.5 
assign (resid   50 and  name HB1  )(resid   53 and  name CG2  ) 4.0 2.2 2.5 
assign (resid   50 and  name HB2  )(resid   53 and  name CG2  ) 4.0 2.2 3.0 
assign (resid   50 and  name HB2  )(resid   53 and  name CG1  ) 5.0 3.2 2.5 
assign (resid   50 and  name CB   )(resid   53 and  name HB   ) 5.0 3.2 2.0 
assign (resid   53 and  name CB   )(resid   54 and  name HN   ) 3.0 1.2 2.7 
assign (resid   55 and  name HA   )(resid   58 and  name CG   ) 3.0 1.2 3.7 
assign (resid   56 and  name CG   )(resid   60 and  name HE1  ) 4.0 2.2 3.0 
assign (resid   58 and  name HA   )(resid   61 and  name HN   ) 4.0 2.2 1.0
assign (resid   58 and  name CG   )(resid   61 and  name HN   ) 4.0 2.2 3.0 
assign (resid   58 and  name CG   )(resid   62 and  name HN   ) 4.0 2.2 3.0 
assign (resid   59 and  name CG   )(resid   60 and  name HN   ) 2.5 0.7 2.2 
assign (resid   59 and  name CG   )(resid   60 and  name HE1  ) 4.0 2.2 3.5 
assign (resid   63 and  name HA   )(resid   64 and  name HD1  ) 2.5 0.7 0.2 
assign (resid   63 and  name HA   )(resid   64 and  name HD2  ) 2.5 0.7 0.2 
assign (resid   67 and  name CB   )(resid   72 and  name HA   ) 3.0 1.2 1.7 
assign (resid   68 and  name HB1  )(resid   73 and  name HB   ) 3.0 1.2 0.7 
assign (resid   68 and  name HB2  )(resid   73 and  name HB   ) 3.0 1.2 0.7 
assign (resid   69 and  name HA   )(resid   72 and  name CD1  ) 5.0 3.2 2.5 
assign (resid   69 and  name HA   )(resid   72 and  name CD2  ) 5.0 3.2 2.5 
assign (resid   70 and  name CB   )(resid   71 and  name HB   ) 5.0 3.2 2.0 
assign (resid   73 and  name CG2  )(resid   77 and  name CB   ) 3.0 1.2 2.7 
assign (resid   79 and  name CB   )(resid   84 and  name HN   ) 5.0 3.2 2.0 
assign (resid   84 and  name CB   )(resid   87 and  name HB   ) 4.0 2.2 2.0 
assign (resid   86 and  name HA   )(resid   89 and  name CG1  ) 3.0 1.2 2.2 
assign (resid   86 and  name HA   )(resid   89 and  name CG2  ) 3.0 1.2 2.2 
assign (resid   87 and  name HB   )(resid   90 and  name HB   ) 5.0 3.2 1.0 
assign (resid   89 and  name CG2  )(resid   90 and  name HN   ) 4.0 2.2 3.0 
assign (resid   89 and  name CG1  )(resid   93 and  name CB   ) 3.0 1.2 3.2 
assign (resid   89 and  name CG1  )(resid   93 and  name CD   ) 2.5 0.7 2.2 
assign (resid   89 and  name CG2  )(resid   93 and  name CD   ) 4.0 2.2 3.0 
assign (resid   90 and  name HA   )(resid   93 and  name CD   ) 4.0 2.2 2.0 
assign (resid   94 and  name HN   )(resid   96 and  name HN   ) 5.0 3.2 1.0
assign (resid   95 and  name HN   )(resid   96 and  name CB   ) 4.0 2.2 2.0 
assign (resid   97 and  name HD1  )(resid  100 and  name CG1  ) 4.0 2.2 2.0 
assign (resid   97 and  name HD1  )(resid  100 and  name CG2  ) 4.0 2.2 2.0 
assign (resid   97 and  name HD2  )(resid  100 and  name CG1  ) 4.0 2.2 2.0 
assign (resid   97 and  name HD2  )(resid  100 and  name CG2  ) 4.0 2.2 2.0 
assign (resid   99 and  name HN   )(resid  100 and  name CG1  ) 3.0 1.2 2.2 
assign (resid  101 and  name HB1  )(resid  105 and  name HA1  ) 5.0 3.2 1.0 
assign (resid  101 and  name HB1  )(resid  105 and  name HA2  ) 5.0 3.2 1.0 
assign (resid  101 and  name HB2  )(resid  105 and  name HA1  ) 5.0 3.2 1.0 
assign (resid  101 and  name HB2  )(resid  105 and  name HA2  ) 5.0 3.2 1.0 
assign (resid  108 and  name HA   )(resid  111 and  name CD1  ) 4.0 2.2 2.0 
assign (resid  108 and  name HA   )(resid  111 and  name CD2  ) 4.0 2.2 2.0 
assign (resid  109 and  name CG2  )(resid  113 and  name HG1  ) 4.0 2.2 2.0 
assign (resid  109 and  name CG2  )(resid  113 and  name HG2  ) 4.0 2.2 2.0 
assign (resid  112 and  name HA   )(resid  117 and  name HA   ) 5.0 3.2 1.0 
assign (resid  112 and  name CB   )(resid  117 and  name HA   ) 4.0 2.2 2.5 
assign (resid  112 and  name CB   )(resid  117 and  name HB1  ) 4.0 2.2 2.0 
assign (resid  112 and  name CB   )(resid  117 and  name HB2  ) 4.0 2.2 2.0 
assign (resid  116 and  name HA1  )(resid  117 and  name HA   ) 4.0 2.2 1.0 
assign (resid  116 and  name HA2  )(resid  117 and  name HA   ) 4.0 2.2 1.0 
assign (resid  117 and  name HA   )(resid  120 and  name CD1  ) 4.0 2.2 2.5 
assign (resid  117 and  name HA   )(resid  120 and  name HB   ) 4.0 2.2 1.0 
assign (resid  117 and  name HB1  )(resid  120 and  name CD1  ) 3.0 1.2 2.2 
assign (resid  117 and  name HB2  )(resid  120 and  name CD1  ) 3.0 1.2 2.2 
assign (resid  119 and  name HA   )(resid  122 and  name CD   ) 3.0 1.2 1.7 
assign (resid  119 and  name CB   )(resid  122 and  name CB   ) 5.0 3.2 3.0 
assign (resid  119 and  name HA   )(resid  122 and  name HG1  ) 5.0 3.2 1.0 
assign (resid  119 and  name HA   )(resid  122 and  name HG2  ) 5.0 3.2 1.0 
assign (resid  121 and  name CB   )(resid  122 and  name CD   ) 4.0 2.2 3.0 
assign (resid  123 and  name CG   )(resid  124 and  name HN   ) 4.0 2.2 3.0 
assign (resid  123 and  name CG   )(resid  124 and  name HA   ) 4.0 2.2 3.0 
assign (resid  123 and  name CZ   )(resid  124 and  name HA   ) 4.0 2.2 3.0 
assign (resid  123 and  name CZ   )(resid  127 and  name CB   ) 4.0 2.2 4.0 
assign (resid  123 and  name CG   )(resid  127 and  name CB   ) 5.0 3.2 4.0 
assign (resid  126 and  name HN   )(resid  127 and  name CB   ) 4.0 2.2 2.5 
assign (resid  128 and  name CG2  )(resid  129 and  name HN   ) 4.0 2.2 2.5 
!--------------------------------------------------------------------------
!intraresidue NOE
!--------------------------------------------------------------------------
assign (resid   12 and  name HN   )(resid   12 and  name CG2  ) 3.0 1.2 1.7 
assign (resid   19 and  name HN   )(resid   19 and  name HA   ) 4.0 2.2 1.0 
assign (resid   19 and  name HN   )(resid   19 and  name HB   ) 3.0 1.2 0.7 
assign (resid   19 and  name HN   )(resid   19 and  name CG2  ) 2.5 0.7 1.7 
assign (resid   19 and  name HN   )(resid   19 and  name CG1  ) 4.0 2.2 2.5 
assign (resid   19 and  name HA   )(resid   19 and  name HB   ) 4.0 2.2 1.0 
assign (resid   19 and  name HA   )(resid   19 and  name CG1  ) 3.0 1.2 2.2 
assign (resid   19 and  name HA   )(resid   19 and  name CG2  ) 3.0 1.2 2.2 
assign (resid   20 and  name HN   )(resid   20 and  name HA   ) 4.0 2.2 1.0 
assign (resid   23 and  name HA   )(resid   23 and  name CD   ) 4.0 2.2 2.0 
assign (resid   24 and  name HN   )(resid   24 and  name HG1  ) 4.0 2.2 1.0 
assign (resid   24 and  name HN   )(resid   24 and  name HG2  ) 4.0 2.2 1.0 
assign (resid   24 and  name HA   )(resid   24 and  name HG1  ) 3.0 1.2 0.7 
assign (resid   24 and  name HA   )(resid   24 and  name HG2  ) 3.0 1.2 0.7 
assign (resid   27 and  name HN   )(resid   27 and  name HG1  ) 4.0 2.2 1.0 
assign (resid   27 and  name HN   )(resid   27 and  name HG2  ) 4.0 2.2 1.0 
assign (resid   28 and  name HN   )(resid   28 and  name CB   ) 2.5 0.7 1.7 
assign (resid   29 and  name HN   )(resid   29 and  name HA1  ) 2.5 0.7 0.2 
assign (resid   29 and  name HN   )(resid   29 and  name HA2  ) 2.5 0.7 0.2 
assign (resid   35 and  name HN   )(resid   35 and  name CD1  ) 4.0 2.2 2.5 
assign (resid   35 and  name HN   )(resid   35 and  name CD2  ) 4.0 2.2 2.5 
assign (resid   38 and  name HN   )(resid   38 and  name CG   ) 4.0 2.2 3.0 
assign (resid   39 and  name HN   )(resid   39 and  name HA1  ) 2.5 0.7 0.2 
assign (resid   39 and  name HN   )(resid   39 and  name HA2  ) 2.5 0.7 0.2 
assign (resid   43 and  name HN   )(resid   43 and  name CG2  ) 3.0 1.2 1.7 
assign (resid   43 and  name HA   )(resid   43 and  name CG2  ) 4.0 2.2 2.5 
assign (resid   43 and  name HA   )(resid   43 and  name CD1  ) 3.0 1.2 2.2 
assign (resid   45 and  name HN   )(resid   45 and  name HB   ) 4.0 2.2 1.0 
assign (resid   45 and  name HN   )(resid   45 and  name HA   ) 4.0 2.2 1.0 
assign (resid   45 and  name HA   )(resid   45 and  name HB   ) 2.5 0.7 0.2 
assign (resid   46 and  name HA   )(resid   46 and  name CE   ) 5.0 3,2 2.0 
assign (resid   48 and  name HA   )(resid   48 and  name CE   ) 3.0 1.2 1.7 
assign (resid   51 and  name HN   )(resid   51 and  name HA   ) 4.0 2.2 1.0 
assign (resid   51 and  name HN   )(resid   51 and  name CB   ) 2.5 0.7 1.7 
assign (resid   51 and  name HA   )(resid   51 and  name CB   ) 3.0 1.2 2.2 
assign (resid   50 and  name HN   )(resid   50 and  name HA   ) 4.0 2.2 1.0 
assign (resid   50 and  name HN   )(resid   50 and  name HB1  ) 3.0 1.2 0.7 
assign (resid   50 and  name HN   )(resid   50 and  name HB2  ) 3.0 1.2 0.7 
assign (resid   50 and  name HA   )(resid   50 and  name HB1  ) 3.0 1.2 0.7 
assign (resid   50 and  name HA   )(resid   50 and  name HB2  ) 3.0 1.2 0.7 
assign (resid   52 and  name HN   )(resid   52 and  name HA   ) 4.0 2.2 1.0 
assign (resid   52 and  name HN   )(resid   52 and  name CB   ) 2.5 0.7 1.2 
assign (resid   52 and  name HN   )(resid   52 and  name CG   ) 3.0 1.2 1.7 
assign (resid   52 and  name HA   )(resid   52 and  name HG1  ) 3.0 1.2 0.7 
assign (resid   52 and  name HA   )(resid   52 and  name HG1  ) 3.0 1.2 0.7 
assign (resid   53 and  name HN   )(resid   53 and  name HA   ) 4.0 2.2 1.0 
assign (resid   53 and  name HN   )(resid   53 and  name HB   ) 3.0 1.2 0.7 
assign (resid   54 and  name HA   )(resid   54 and  name CB   ) 2.5 0.7 1.7 
assign (resid   55 and  name HN   )(resid   55 and  name HA   ) 4.0 2.2 1.0 
assign (resid   55 and  name HA   )(resid   55 and  name CB   ) 3.0 1.2 1.7 
assign (resid   55 and  name HA   )(resid   55 and  name CG   ) 4.0 2.2 2.0 
assign (resid   60 and  name HN   )(resid   60 and  name HA   ) 3.0 1.2 0.7 
assign (resid   61 and  name HN   )(resid   61 and  name HA1  ) 2.5 0.7 0.2 
assign (resid   61 and  name HN   )(resid   61 and  name HA2  ) 2.5 0.7 0.2 
assign (resid   62 and  name HN   )(resid   62 and  name HA   ) 3.0 1.2 0.7 
assign (resid   62 and  name HN   )(resid   62 and  name CB   ) 3.0 1.2 2.2 
assign (resid   66 and  name HN   )(resid   66 and  name HA   ) 3.0 1.2 0.7 
assign (resid   66 and  name HN   )(resid   66 and  name CB   ) 3.0 1.2 1.7 
assign (resid   66 and  name HA   )(resid   66 and  name HB1  ) 2.5 0.7 0.2 
assign (resid   66 and  name HA   )(resid   66 and  name HB2  ) 2.5 0.7 0.2 
assign (resid   71 and  name HA   )(resid   71 and  name CG2  ) 3.0 1.2 2.2 
assign (resid   71 and  name HB   )(resid   71 and  name CG2  ) 3.0 1.2 1.7 
assign (resid   72 and  name HA   )(resid   72 and  name CD1  ) 3.0 1.2 2.2 
assign (resid   72 and  name HA   )(resid   72 and  name CD2  ) 3.0 1.2 2.2 
assign (resid   73 and  name HB   )(resid   73 and  name CG2  ) 3.0 1.2 2.2 
assign (resid   83 and  name HN   )(resid   83 and  name HA1  ) 3.0 1.2 1.7 
assign (resid   83 and  name HN   )(resid   83 and  name HA2  ) 3.0 1.2 1.7 
assign (resid   84 and  name HN   )(resid   84 and  name HA   ) 4.0 2.2 1.0 
assign (resid   84 and  name HN   )(resid   84 and  name CB   ) 3.0 1.2 1.7 
assign (resid   84 and  name HN   )(resid   84 and  name CG   ) 4.0 2.2 3.0 
assign (resid   84 and  name HA   )(resid   84 and  name CG   ) 3.0 1.2 2.7 
assign (resid   84 and  name HA   )(resid   84 and  name CZ   ) 4.0 2.2 3.0 
assign (resid   84 and  name HA   )(resid   84 and  name HZ   ) 5.0 3.2 1.0 
assign (resid   85 and  name HN   )(resid   85 and  name HA   ) 3.0 1.2 0.7 
assign (resid   87 and  name HA   )(resid   87 and  name HB   ) 4.0 2.2 1.0 
assign (resid   87 and  name HB   )(resid   87 and  name CG2  ) 2.5 0.7 1.7 
assign (resid   89 and  name HN   )(resid   89 and  name HA   ) 4.0 2.2 1.0 
assign (resid   89 and  name HN   )(resid   89 and  name HB   ) 3.0 1.2 0.7 
assign (resid   89 and  name HA   )(resid   89 and  name HB   ) 4.0 2.2 1.0 
assign (resid   90 and  name HN   )(resid   90 and  name HA   ) 2.5 0.7 0.2 
assign (resid   93 and  name HN   )(resid   93 and  name HA   ) 3.0 1.2 0.7 
assign (resid   93 and  name HN   )(resid   93 and  name CB   ) 2.5 0.7 1.2 
assign (resid   93 and  name HA   )(resid   93 and  name CD   ) 3.0 1.2 1.7 
assign (resid   94 and  name HN   )(resid   94 and  name HA   ) 2.5 0.7 0.2 
assign (resid   94 and  name HN   )(resid   94 and  name CB   ) 2.5 0.7 1.7 
assign (resid   94 and  name HA   )(resid   94 and  name CB   ) 2.5 0.7 1.7 
assign (resid   97 and  name HA   )(resid   97 and  name HD1  ) 4.0 2.2 1.0 
assign (resid   97 and  name HA   )(resid   97 and  name HD2  ) 4.0 2.2 1.0 
assign (resid   98 and  name HA   )(resid   98 and  name CD1  ) 4.0 2.2 2.5 
assign (resid   98 and  name HA   )(resid   98 and  name CD2  ) 4.0 2.2 2.5 
assign (resid   99 and  name HA   )(resid   99 and  name HB1  ) 3.0 1.2 0.7 
assign (resid   99 and  name HA   )(resid   99 and  name HB2  ) 3.0 1.2 0.7 
assign (resid  100 and  name HN   )(resid  100 and  name CG1  ) 2.5 0.7 1.7 
assign (resid  100 and  name HN   )(resid  100 and  name CG2  ) 2.5 0.7 1.7 
assign (resid  100 and  name HA   )(resid  100 and  name HB   ) 2.5 0.7 0.2 
assign (resid  100 and  name HA   )(resid  100 and  name CG1  ) 2.5 0.7 1.7 
assign (resid  100 and  name HA   )(resid  100 and  name CG2  ) 3.0 1.2 2.2 
assign (resid  101 and  name HN   )(resid  101 and  name HA   ) 4.0 2.2 1.0 
assign (resid  101 and  name HN   )(resid  101 and  name CB   ) 4.0 2.2 2.0 
assign (resid  101 and  name HA   )(resid  101 and  name HB1  ) 4.0 2.2 1.0 
assign (resid  101 and  name HA   )(resid  101 and  name HB2  ) 4.0 2.2 1.0 
assign (resid  103 and  name HA   )(resid  103 and  name CB   ) 2.5 0.7 1.7 
assign (resid  107 and  name HA   )(resid  107 and  name HG   ) 4.0 2.2 1.0 
assign (resid  109 and  name HN   )(resid  109 and  name HB   ) 3.0 1.2 0.7 
assign (resid  109 and  name HA   )(resid  109 and  name HB   ) 3.0 1.2 0.7 
assign (resid  109 and  name HN   )(resid  109 and  name CG1  ) 2.5 0.7 1.7 
assign (resid  109 and  name HN   )(resid  109 and  name CG2  ) 4.0 2.2 2.0 
assign (resid  109 and  name HA   )(resid  109 and  name CG1  ) 4.0 2.2 2.0 
assign (resid  109 and  name HA   )(resid  109 and  name CG2  ) 2.5 0.7 1.7 
assign (resid  113 and  name HN   )(resid  113 and  name HA   ) 2.5 0.7 0.2 
assign (resid  113 and  name HA   )(resid  113 and  name HG1  ) 3.0 1.2 0.7 
assign (resid  113 and  name HA   )(resid  113 and  name HG2  ) 3.0 1.2 0.7 
assign (resid  117 and  name HA   )(resid  117 and  name HB1  ) 3.0 1.2 0.7 
assign (resid  117 and  name HA   )(resid  117 and  name HB2  ) 3.0 1.2 0.7 
assign (resid  118 and  name HN   )(resid  118 and  name HA   ) 3.0 1.2 0.7 
assign (resid  120 and  name HN   )(resid  120 and  name CD1  ) 3.0 1.2 2.2 
assign (resid  120 and  name HN   )(resid  120 and  name HA   ) 4.0 2.2 1.0 
assign (resid  120 and  name HA   )(resid  120 and  name CD1  ) 3.0 1.2 2.2 
assign (resid  122 and  name HA   )(resid  122 and  name CB   ) 3.0 1.2 2.2 
assign (resid  122 and  name HA   )(resid  122 and  name CD   ) 3.0 1.2 1.7 
assign (resid  123 and  name HN   )(resid  123 and  name HA   ) 4.0 2.2 1.0 
assign (resid  123 and  name HN   )(resid  123 and  name CB   ) 2.5 0.7 1.2 
assign (resid  123 and  name HN   )(resid  123 and  name CG   ) 3.0 1.2 1.7 
assign (resid  125 and  name HN   )(resid  125 and  name HA   ) 4.0 2.2 1.0 
assign (resid  125 and  name HN   )(resid  125 and  name CB   ) 2.5 0.7 1.2 
assign (resid  128 and  name HN   )(resid  128 and  name CG2  ) 2.5 0.7 1.7 
assign (resid  130 and  name HN   )(resid  130 and  name HA   ) 2.5 0.7 0.2 
assign (resid  130 and  name HN   )(resid  130 and  name CB   ) 2.5 0.7 1.2 

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY  -5          1H        GLY  -5 121.726 -13.077 -38.909
    2   2H    GLY  -5          2H        GLY  -5 122.193 -14.323 -37.852
    3   3H    GLY  -5          3H        GLY  -5 123.226 -13.001 -38.122
    4   1HA   GLY  -5          2HA       GLY  -5 120.609 -12.964 -36.724
    5   2HA   GLY  -5          1HA       GLY  -5 122.199 -12.701 -36.005
    6    H    SER  -4           H        SER  -4 119.932 -10.833 -36.056
    7    HA   SER  -4           HA       SER  -4 120.417  -8.757 -38.016
    8   1HB   SER  -4          2HB       SER  -4 118.286  -9.088 -36.829
    9   2HB   SER  -4          1HB       SER  -4 119.077  -8.761 -35.289
   10    HG   SER  -4           HG       SER  -4 118.689  -7.003 -37.482
   11    HA   PRO  -3           HA       PRO  -3 123.920  -6.932 -36.054
   12   1HB   PRO  -3          2HB       PRO  -3 123.834  -4.447 -37.189
   13   2HB   PRO  -3          1HB       PRO  -3 124.359  -5.896 -38.067
   14   1HG   PRO  -3          2HG       PRO  -3 121.770  -4.453 -38.178
   15   2HG   PRO  -3          1HG       PRO  -3 122.656  -5.291 -39.460
   16   1HD   PRO  -3          2HD       PRO  -3 120.465  -6.317 -38.135
   17   2HD   PRO  -3          1HD       PRO  -3 121.682  -7.290 -38.990
   18    H    GLY  -2           H        GLY  -2 124.337  -5.662 -34.237
   19   1HA   GLY  -2          2HA       GLY  -2 122.750  -3.457 -33.340
   20   2HA   GLY  -2          1HA       GLY  -2 122.224  -4.923 -32.507
   21    H    ILE  -1           H        ILE  -1 123.302  -3.071 -30.857
   22    HA   ILE  -1           HA       ILE  -1 125.636  -4.414 -29.788
   23    HB   ILE  -1           HB       ILE  -1 126.604  -3.329 -31.770
   24   1HG1  ILE  -1          2HG1      ILE  -1 128.283  -1.829 -30.528
   25   2HG1  ILE  -1          1HG1      ILE  -1 127.360  -2.197 -29.071
   26   1HG2  ILE  -1          1HG2      ILE  -1 125.365  -1.476 -32.331
   27   2HG2  ILE  -1          2HG2      ILE  -1 126.678  -0.677 -31.467
   28   3HG2  ILE  -1          3HG2      ILE  -1 125.142  -0.983 -30.655
   29   1HD1  ILE  -1          1HD1      ILE  -1 128.648  -4.230 -30.917
   30   2HD1  ILE  -1          2HD1      ILE  -1 127.688  -4.619 -29.490
   31   3HD1  ILE  -1          3HD1      ILE  -1 129.229  -3.778 -29.315
   32    H    HIS   0           H        HIS   0 126.289  -3.536 -27.772
   33    HA   HIS   0           HA       HIS   0 125.746  -2.710 -25.646
   34   1HB   HIS   0          2HB       HIS   0 125.847  -0.206 -25.663
   35   2HB   HIS   0          1HB       HIS   0 127.135  -0.987 -26.568
   36    HD1  HIS   0           HD1      HIS   0 123.796   0.751 -27.170
   37    HD2  HIS   0           HD2      HIS   0 127.314  -0.174 -29.207
   38    HE1  HIS   0           HE1      HIS   0 123.668   1.946 -29.401
   39    H    MET   1           H        MET   1 123.874  -3.282 -24.723
   40    HA   MET   1           HA       MET   1 121.621  -3.216 -24.041
   41   1HB   MET   1          2HB       MET   1 121.949  -0.377 -25.059
   42   2HB   MET   1          1HB       MET   1 120.722  -0.929 -23.920
   43   1HG   MET   1          2HG       MET   1 123.713  -1.096 -23.450
   44   2HG   MET   1          1HG       MET   1 122.655   0.143 -22.775
   45   1HE   MET   1          1HE       MET   1 123.130  -3.980 -22.787
   46   2HE   MET   1          2HE       MET   1 123.800  -3.751 -21.173
   47   3HE   MET   1          3HE       MET   1 124.406  -2.785 -22.516
   48    H    LEU   2           H        LEU   2 119.421  -1.860 -25.043
   49    HA   LEU   2           HA       LEU   2 119.209  -2.289 -27.947
   50   1HB   LEU   2          2HB       LEU   2 119.054  -4.523 -26.632
   51   2HB   LEU   2          1HB       LEU   2 117.476  -3.936 -26.105
   52    HG   LEU   2           HG       LEU   2 116.900  -3.580 -28.540
   53   1HD1  LEU   2          1HD1      LEU   2 118.830  -3.532 -29.798
   54   2HD1  LEU   2          2HD1      LEU   2 118.457  -5.249 -29.951
   55   3HD1  LEU   2          3HD1      LEU   2 119.651  -4.709 -28.772
   56   1HD2  LEU   2          1HD2      LEU   2 116.495  -5.704 -27.020
   57   2HD2  LEU   2          2HD2      LEU   2 117.632  -6.461 -28.136
   58   3HD2  LEU   2          3HD2      LEU   2 116.128  -5.768 -28.743
   59    H    GLY   3           H        GLY   3 117.145  -2.093 -24.987
   60   1HA   GLY   3          2HA       GLY   3 116.141   0.421 -25.087
   61   2HA   GLY   3          1HA       GLY   3 115.273  -0.321 -26.429
   62    H    GLY   4           H        GLY   4 113.810   0.646 -24.273
   63   1HA   GLY   4          2HA       GLY   4 112.072  -1.413 -23.593
   64   2HA   GLY   4          1HA       GLY   4 113.278  -1.435 -22.309
   65    H    SER   5           H        SER   5 110.317  -0.578 -22.471
   66    HA   SER   5           HA       SER   5 110.639   2.143 -21.223
   67   1HB   SER   5          2HB       SER   5 108.718   0.925 -23.153
   68   2HB   SER   5          1HB       SER   5 108.054   2.063 -21.987
   69    HG   SER   5           HG       SER   5 110.053   2.452 -23.944
   70    H    SER   6           H        SER   6 108.125   2.340 -19.974
   71    HA   SER   6           HA       SER   6 107.508  -0.147 -18.512
   72   1HB   SER   6          2HB       SER   6 108.875   2.166 -17.112
   73   2HB   SER   6          1HB       SER   6 108.221   0.746 -16.323
   74    HG   SER   6           HG       SER   6 109.770  -0.515 -17.282
   75    H    ASP   7           H        ASP   7 106.372   0.295 -16.535
   76    HA   ASP   7           HA       ASP   7 104.583   2.660 -16.597
   77   1HB   ASP   7          2HB       ASP   7 102.906   1.170 -15.555
   78   2HB   ASP   7          1HB       ASP   7 103.461   0.425 -17.053
   79    H    ALA   8           H        ALA   8 107.121   2.799 -15.743
   80    HA   ALA   8           HA       ALA   8 107.150   2.274 -12.801
   81   1HB   ALA   8          1HB       ALA   8 109.329   2.561 -14.891
   82   2HB   ALA   8          2HB       ALA   8 108.801   1.063 -14.129
   83   3HB   ALA   8          3HB       ALA   8 109.629   2.292 -13.174
   84    H    GLY   9           H        GLY   9 106.578   4.856 -14.797
   85   1HA   GLY   9          2HA       GLY   9 108.262   6.961 -14.184
   86   2HA   GLY   9          1HA       GLY   9 106.509   7.157 -14.217
   87    H    LEU  10           H        LEU  10 106.025   5.312 -12.040
   88    HA   LEU  10           HA       LEU  10 105.996   6.993  -9.780
   89   1HB   LEU  10          2HB       LEU  10 105.616   4.816  -8.578
   90   2HB   LEU  10          1HB       LEU  10 104.641   4.969 -10.036
   91    HG   LEU  10           HG       LEU  10 106.726   3.772 -11.167
   92   1HD1  LEU  10          1HD1      LEU  10 107.313   3.632  -8.335
   93   2HD1  LEU  10          2HD1      LEU  10 108.310   3.149  -9.706
   94   3HD1  LEU  10          3HD1      LEU  10 107.148   2.015  -9.019
   95   1HD2  LEU  10          1HD2      LEU  10 104.208   2.970 -10.324
   96   2HD2  LEU  10          2HD2      LEU  10 105.276   1.766  -9.601
   97   3HD2  LEU  10          3HD2      LEU  10 105.297   2.027 -11.342
   98    H    ALA  11           H        ALA  11 108.527   4.904 -11.018
   99    HA   ALA  11           HA       ALA  11 110.188   5.176  -8.592
  100   1HB   ALA  11          1HB       ALA  11 110.413   3.084  -9.604
  101   2HB   ALA  11          2HB       ALA  11 111.776   3.945 -10.319
  102   3HB   ALA  11          3HB       ALA  11 110.279   3.750 -11.232
  103    H    THR  12           H        THR  12 110.690   5.901 -12.070
  104    HA   THR  12           HA       THR  12 112.983   7.520 -11.827
  105    HB   THR  12           HB       THR  12 112.138   8.480 -14.005
  106    HG1  THR  12           HG1      THR  12 110.032   8.528 -14.011
  107   1HG2  THR  12          1HG2      THR  12 113.256   6.162 -13.675
  108   2HG2  THR  12          2HG2      THR  12 112.415   6.467 -15.195
  109   3HG2  THR  12          3HG2      THR  12 111.637   5.511 -13.935
  110    H    ALA  13           H        ALA  13 109.549   8.562 -11.799
  111    HA   ALA  13           HA       ALA  13 110.127  11.355 -11.381
  112   1HB   ALA  13          1HB       ALA  13 107.821  11.521 -11.376
  113   2HB   ALA  13          2HB       ALA  13 107.619  10.081 -10.378
  114   3HB   ALA  13          3HB       ALA  13 107.980   9.919 -12.097
  115    H    ALA  14           H        ALA  14 109.452   8.632  -9.182
  116    HA   ALA  14           HA       ALA  14 109.214  10.055  -6.742
  117   1HB   ALA  14          1HB       ALA  14 108.717   7.757  -6.723
  118   2HB   ALA  14          2HB       ALA  14 110.259   7.820  -5.879
  119   3HB   ALA  14          3HB       ALA  14 110.205   7.335  -7.570
  120    H    ALA  15           H        ALA  15 112.175   8.605  -8.185
  121    HA   ALA  15           HA       ALA  15 114.058   9.535  -6.293
  122   1HB   ALA  15          1HB       ALA  15 115.557   8.754  -7.856
  123   2HB   ALA  15          2HB       ALA  15 114.791   9.640  -9.175
  124   3HB   ALA  15          3HB       ALA  15 114.097   8.119  -8.615
  125    H    ARG  16           H        ARG  16 112.406  11.211  -8.909
  126    HA   ARG  16           HA       ARG  16 114.030  13.667  -8.581
  127   1HB   ARG  16          2HB       ARG  16 111.614  12.982 -10.293
  128   2HB   ARG  16          1HB       ARG  16 112.604  14.431 -10.459
  129   1HG   ARG  16          2HG       ARG  16 114.444  13.243 -11.277
  130   2HG   ARG  16          1HG       ARG  16 113.898  11.720 -10.575
  131   1HD   ARG  16          2HD       ARG  16 113.539  11.638 -12.994
  132   2HD   ARG  16          1HD       ARG  16 111.956  11.759 -12.200
  133    HE   ARG  16           HE       ARG  16 113.074  14.379 -12.742
  134   1HH1  ARG  16          1HH2      ARG  16 112.500  11.902 -14.899
  135   2HH1  ARG  16          2HH2      ARG  16 111.260  12.716 -15.794
  136   1HH2  ARG  16          2HH1      ARG  16 111.003  15.352 -13.555
  137   2HH2  ARG  16          1HH1      ARG  16 110.413  14.668 -15.033
  138    H    GLY  17           H        GLY  17 111.724  12.341  -6.717
  139   1HA   GLY  17          2HA       GLY  17 110.259  13.222  -5.115
  140   2HA   GLY  17          1HA       GLY  17 110.926  14.813  -5.485
  141    H    GLN  18           H        GLN  18 108.941  12.380  -7.229
  142    HA   GLN  18           HA       GLN  18 107.030  14.595  -7.894
  143   1HB   GLN  18          2HB       GLN  18 108.229  12.430  -9.644
  144   2HB   GLN  18          1HB       GLN  18 106.881  13.449 -10.148
  145   1HG   GLN  18          2HG       GLN  18 108.537  15.382  -9.341
  146   2HG   GLN  18          1HG       GLN  18 109.749  14.166  -9.741
  147   1HE2  GLN  18          1HE2      GLN  18 109.977  16.225 -11.406
  148   2HE2  GLN  18          2HE2      GLN  18 109.221  15.960 -12.903
  149    H    VAL  19           H        VAL  19 105.742  13.609  -6.042
  150    HA   VAL  19           HA       VAL  19 104.792  10.878  -6.199
  151    HB   VAL  19           HB       VAL  19 103.639  13.348  -4.844
  152   1HG1  VAL  19          1HG1      VAL  19 102.393  10.928  -5.194
  153   2HG1  VAL  19          2HG1      VAL  19 102.096  12.010  -3.834
  154   3HG1  VAL  19          3HG1      VAL  19 103.231  10.670  -3.664
  155   1HG2  VAL  19          1HG2      VAL  19 105.077  11.263  -3.304
  156   2HG2  VAL  19          2HG2      VAL  19 105.116  13.019  -3.131
  157   3HG2  VAL  19          3HG2      VAL  19 106.082  12.234  -4.379
  158    H    GLU  20           H        GLU  20 103.741  13.945  -7.591
  159    HA   GLU  20           HA       GLU  20 101.086  13.202  -8.355
  160   1HB   GLU  20          2HB       GLU  20 101.362  15.054  -9.985
  161   2HB   GLU  20          1HB       GLU  20 101.974  15.502  -8.395
  162   1HG   GLU  20          2HG       GLU  20 104.279  14.818  -9.193
  163   2HG   GLU  20          1HG       GLU  20 103.594  14.644 -10.808
  164    H    THR  21           H        THR  21 104.218  12.847 -10.033
  165    HA   THR  21           HA       THR  21 103.132  11.608 -12.418
  166    HB   THR  21           HB       THR  21 105.883  11.123 -11.307
  167    HG1  THR  21           HG1      THR  21 104.843  13.555 -12.318
  168   1HG2  THR  21          1HG2      THR  21 104.775  11.752 -14.052
  169   2HG2  THR  21          2HG2      THR  21 105.375  10.192 -13.492
  170   3HG2  THR  21          3HG2      THR  21 106.490  11.543 -13.694
  171    H    VAL  22           H        VAL  22 104.509  10.384  -9.361
  172    HA   VAL  22           HA       VAL  22 104.400   7.596 -10.009
  173    HB   VAL  22           HB       VAL  22 104.018   8.940  -7.310
  174   1HG1  VAL  22          1HG1      VAL  22 105.634   6.472  -7.626
  175   2HG1  VAL  22          2HG1      VAL  22 103.906   6.281  -7.922
  176   3HG1  VAL  22          3HG1      VAL  22 104.472   6.902  -6.373
  177   1HG2  VAL  22          1HG2      VAL  22 106.729   8.103  -7.867
  178   2HG2  VAL  22          2HG2      VAL  22 106.143   9.703  -7.424
  179   3HG2  VAL  22          3HG2      VAL  22 106.191   9.220  -9.118
  180    H    ARG  23           H        ARG  23 102.011   9.892  -8.798
  181    HA   ARG  23           HA       ARG  23  99.932   7.936  -8.255
  182   1HB   ARG  23          2HB       ARG  23  99.930  10.919  -8.872
  183   2HB   ARG  23          1HB       ARG  23  98.505  10.029  -8.340
  184   1HG   ARG  23          2HG       ARG  23 100.918   9.667  -6.661
  185   2HG   ARG  23          1HG       ARG  23 100.220  11.285  -6.637
  186   1HD   ARG  23          2HD       ARG  23  97.942   9.902  -6.363
  187   2HD   ARG  23          1HD       ARG  23  99.055   8.712  -5.661
  188    HE   ARG  23           HE       ARG  23  99.095  11.562  -4.745
  189   1HH1  ARG  23          1HH2      ARG  23  97.081   9.989  -3.284
  190   2HH1  ARG  23          2HH2      ARG  23  97.985   9.318  -1.967
  191   1HH2  ARG  23          2HH1      ARG  23 101.068   9.917  -3.428
  192   2HH2  ARG  23          1HH1      ARG  23 100.237   9.277  -2.050
  193    H    GLN  24           H        GLN  24 101.018   9.823 -11.034
  194    HA   GLN  24           HA       GLN  24  98.766   9.166 -12.751
  195   1HB   GLN  24          2HB       GLN  24 101.318  10.635 -12.817
  196   2HB   GLN  24          1HB       GLN  24 100.860   9.931 -14.371
  197   1HG   GLN  24          2HG       GLN  24  99.748  11.976 -14.460
  198   2HG   GLN  24          1HG       GLN  24  98.493  10.938 -13.792
  199   1HE2  GLN  24          1HE2      GLN  24  97.836  11.296 -11.598
  200   2HE2  GLN  24          2HE2      GLN  24  98.430  12.580 -10.660
  201    H    LEU  25           H        LEU  25 102.202   8.060 -12.758
  202    HA   LEU  25           HA       LEU  25 101.951   6.121 -14.817
  203   1HB   LEU  25          2HB       LEU  25 104.069   6.954 -13.794
  204   2HB   LEU  25          1HB       LEU  25 103.675   6.115 -12.301
  205    HG   LEU  25           HG       LEU  25 105.330   4.886 -13.747
  206   1HD1  LEU  25          1HD1      LEU  25 103.147   2.977 -13.808
  207   2HD1  LEU  25          2HD1      LEU  25 103.148   3.918 -12.316
  208   3HD1  LEU  25          3HD1      LEU  25 104.577   3.012 -12.780
  209   1HD2  LEU  25          1HD2      LEU  25 104.936   4.511 -15.942
  210   2HD2  LEU  25          2HD2      LEU  25 103.511   5.537 -15.790
  211   3HD2  LEU  25          3HD2      LEU  25 103.366   3.792 -15.584
  212    H    LEU  26           H        LEU  26 100.870   6.054 -11.470
  213    HA   LEU  26           HA       LEU  26 100.340   3.132 -11.573
  214   1HB   LEU  26          2HB       LEU  26 101.150   4.887  -9.611
  215   2HB   LEU  26          1HB       LEU  26  99.435   4.702  -9.250
  216    HG   LEU  26           HG       LEU  26 100.717   2.996  -8.053
  217   1HD1  LEU  26          1HD1      LEU  26  99.574   1.316 -10.207
  218   2HD1  LEU  26          2HD1      LEU  26  98.486   2.540  -9.552
  219   3HD1  LEU  26          3HD1      LEU  26  99.209   1.339  -8.482
  220   1HD2  LEU  26          1HD2      LEU  26 102.033   2.785 -10.679
  221   2HD2  LEU  26          2HD2      LEU  26 101.653   1.226  -9.947
  222   3HD2  LEU  26          3HD2      LEU  26 102.651   2.391  -9.077
  223    H    GLU  27           H        GLU  27  98.348   5.867 -10.384
  224    HA   GLU  27           HA       GLU  27  95.845   4.637 -10.559
  225   1HB   GLU  27          2HB       GLU  27  96.622   7.523 -11.075
  226   2HB   GLU  27          1HB       GLU  27  94.992   6.974 -10.686
  227   1HG   GLU  27          2HG       GLU  27  96.072   5.877  -8.605
  228   2HG   GLU  27          1HG       GLU  27  97.449   6.927  -8.939
  229    H    ALA  28           H        ALA  28  97.839   5.648 -13.226
  230    HA   ALA  28           HA       ALA  28  95.692   5.989 -15.158
  231   1HB   ALA  28          1HB       ALA  28  97.670   5.858 -16.738
  232   2HB   ALA  28          2HB       ALA  28  98.680   5.522 -15.332
  233   3HB   ALA  28          3HB       ALA  28  97.830   7.061 -15.459
  234    H    GLY  29           H        GLY  29  96.611   3.220 -13.562
  235   1HA   GLY  29          2HA       GLY  29  95.771   1.049 -14.034
  236   2HA   GLY  29          1HA       GLY  29  95.538   1.549 -15.704
  237    H    ALA  30           H        ALA  30  98.138   0.901 -13.357
  238    HA   ALA  30           HA       ALA  30  99.745  -0.238 -15.626
  239   1HB   ALA  30          1HB       ALA  30 100.875   1.738 -15.276
  240   2HB   ALA  30          2HB       ALA  30 101.649   0.774 -14.019
  241   3HB   ALA  30          3HB       ALA  30 100.328   1.867 -13.605
  242    H    ASP  31           H        ASP  31 101.913  -1.122 -14.229
  243    HA   ASP  31           HA       ASP  31 100.780  -3.287 -12.520
  244   1HB   ASP  31          2HB       ASP  31 102.908  -2.949 -14.505
  245   2HB   ASP  31          1HB       ASP  31 103.483  -3.770 -13.054
  246    HA   PRO  32           HA       PRO  32 102.631  -1.269  -9.036
  247   1HB   PRO  32          2HB       PRO  32 102.530  -3.335  -7.250
  248   2HB   PRO  32          1HB       PRO  32 101.103  -2.391  -7.721
  249   1HG   PRO  32          2HG       PRO  32 101.970  -5.086  -8.620
  250   2HG   PRO  32          1HG       PRO  32 100.341  -4.464  -8.319
  251   1HD   PRO  32          2HD       PRO  32 101.445  -4.753 -10.816
  252   2HD   PRO  32          1HD       PRO  32 100.144  -3.608 -10.422
  253    H    ASN  33           H        ASN  33 104.178  -3.506 -10.941
  254    HA   ASN  33           HA       ASN  33 106.631  -3.386  -9.228
  255   1HB   ASN  33          2HB       ASN  33 105.607  -5.726 -10.866
  256   2HB   ASN  33          1HB       ASN  33 107.099  -5.705  -9.926
  257   1HD2  ASN  33          1HD2      ASN  33 106.582  -4.853  -7.490
  258   2HD2  ASN  33          2HD2      ASN  33 105.266  -5.636  -6.757
  259    H    ALA  34           H        ALA  34 106.056  -1.578 -11.400
  260    HA   ALA  34           HA       ALA  34 107.270  -2.477 -13.874
  261   1HB   ALA  34          1HB       ALA  34 107.408   0.385 -13.186
  262   2HB   ALA  34          2HB       ALA  34 105.810  -0.320 -12.977
  263   3HB   ALA  34          3HB       ALA  34 106.608  -0.396 -14.548
  264    H    LEU  35           H        LEU  35 109.198  -3.531 -12.868
  265    HA   LEU  35           HA       LEU  35 111.209  -2.377 -11.325
  266   1HB   LEU  35          2HB       LEU  35 111.012  -4.430 -13.471
  267   2HB   LEU  35          1HB       LEU  35 112.636  -3.897 -13.036
  268    HG   LEU  35           HG       LEU  35 110.568  -4.854 -11.038
  269   1HD1  LEU  35          1HD1      LEU  35 113.026  -6.422 -11.646
  270   2HD1  LEU  35          2HD1      LEU  35 111.736  -6.472 -12.848
  271   3HD1  LEU  35          3HD1      LEU  35 111.417  -6.984 -11.192
  272   1HD2  LEU  35          1HD2      LEU  35 112.958  -5.126  -9.826
  273   2HD2  LEU  35          2HD2      LEU  35 112.028  -3.630  -9.740
  274   3HD2  LEU  35          3HD2      LEU  35 113.349  -3.783 -10.900
  275    H    ASN  36           H        ASN  36 113.264  -1.402 -11.911
  276    HA   ASN  36           HA       ASN  36 113.177   0.197 -14.451
  277   1HB   ASN  36          2HB       ASN  36 112.792   1.471 -12.328
  278   2HB   ASN  36          1HB       ASN  36 114.355   0.906 -11.740
  279   1HD2  ASN  36          1HD2      ASN  36 114.688   3.428 -11.730
  280   2HD2  ASN  36          2HD2      ASN  36 115.303   4.108 -13.159
  281    H    ARG  37           H        ARG  37 115.357   0.647 -15.350
  282    HA   ARG  37           HA       ARG  37 117.052  -1.598 -15.555
  283   1HB   ARG  37          2HB       ARG  37 118.622   0.026 -16.567
  284   2HB   ARG  37          1HB       ARG  37 116.969   0.321 -17.105
  285   1HG   ARG  37          2HG       ARG  37 117.255   1.821 -14.739
  286   2HG   ARG  37          1HG       ARG  37 118.750   2.078 -15.638
  287   1HD   ARG  37          2HD       ARG  37 115.919   2.549 -16.635
  288   2HD   ARG  37          1HD       ARG  37 117.190   3.763 -16.394
  289    HE   ARG  37           HE       ARG  37 116.932   2.092 -18.720
  290   1HH1  ARG  37          2HH1      ARG  37 118.839   4.442 -17.363
  291   2HH1  ARG  37          1HH1      ARG  37 120.325   3.933 -18.095
  292   1HH2  ARG  37          1HH2      ARG  37 119.025   0.950 -19.292
  293   2HH2  ARG  37          2HH2      ARG  37 120.430   1.957 -19.185
  294    H    PHE  38           H        PHE  38 116.919   0.843 -13.059
  295    HA   PHE  38           HA       PHE  38 119.604   0.374 -12.018
  296   1HB   PHE  38          2HB       PHE  38 117.094   1.799 -11.149
  297   2HB   PHE  38          1HB       PHE  38 118.447   1.630 -10.032
  298    HD1  PHE  38           HD1      PHE  38 117.062   3.962 -12.025
  299    HD2  PHE  38           HD2      PHE  38 120.822   1.924 -11.615
  300    HE1  PHE  38           HE1      PHE  38 118.213   5.861 -13.130
  301    HE2  PHE  38           HE2      PHE  38 121.972   3.823 -12.721
  302    HZ   PHE  38           HZ       PHE  38 120.666   5.791 -13.477
  303    H    GLY  39           H        GLY  39 116.693  -1.402 -11.898
  304   1HA   GLY  39          2HA       GLY  39 115.971  -3.197 -10.585
  305   2HA   GLY  39          1HA       GLY  39 117.686  -3.513 -10.359
  306    H    ARG  40           H        ARG  40 116.231  -0.507  -9.305
  307    HA   ARG  40           HA       ARG  40 116.870  -1.255  -6.487
  308   1HB   ARG  40          2HB       ARG  40 116.702   1.239  -8.130
  309   2HB   ARG  40          1HB       ARG  40 116.388   1.378  -6.400
  310   1HG   ARG  40          2HG       ARG  40 118.603  -0.150  -6.303
  311   2HG   ARG  40          1HG       ARG  40 118.916   0.701  -7.817
  312   1HD   ARG  40          2HD       ARG  40 118.234   2.050  -5.177
  313   2HD   ARG  40          1HD       ARG  40 119.855   1.956  -5.892
  314    HE   ARG  40           HE       ARG  40 118.025   2.974  -7.848
  315   1HH1  ARG  40          1HH2      ARG  40 118.204   4.105  -4.739
  316   2HH1  ARG  40          2HH2      ARG  40 118.848   5.664  -5.133
  317   1HH2  ARG  40          2HH1      ARG  40 119.468   4.861  -8.450
  318   2HH2  ARG  40          1HH1      ARG  40 119.563   6.093  -7.235
  319    H    ARG  41           H        ARG  41 114.441  -2.285  -7.732
  320    HA   ARG  41           HA       ARG  41 112.118  -2.430  -7.319
  321   1HB   ARG  41          2HB       ARG  41 113.583  -1.750  -4.887
  322   2HB   ARG  41          1HB       ARG  41 111.912  -1.191  -4.815
  323   1HG   ARG  41          2HG       ARG  41 111.760  -3.394  -4.008
  324   2HG   ARG  41          1HG       ARG  41 111.324  -3.568  -5.709
  325   1HD   ARG  41          2HD       ARG  41 114.075  -3.807  -5.798
  326   2HD   ARG  41          1HD       ARG  41 113.667  -4.624  -4.276
  327    HE   ARG  41           HE       ARG  41 111.790  -5.709  -5.829
  328   1HH1  ARG  41          2HH1      ARG  41 115.179  -5.705  -5.931
  329   2HH1  ARG  41          1HH1      ARG  41 115.297  -6.622  -7.395
  330   1HH2  ARG  41          1HH2      ARG  41 111.886  -6.582  -8.014
  331   2HH2  ARG  41          2HH2      ARG  41 113.436  -7.119  -8.572
  332    HA   PRO  42           HA       PRO  42 110.187   1.445  -8.103
  333   1HB   PRO  42          2HB       PRO  42 107.763   1.248  -6.862
  334   2HB   PRO  42          1HB       PRO  42 108.189   0.303  -8.301
  335   1HG   PRO  42          2HG       PRO  42 108.008  -0.540  -5.479
  336   2HG   PRO  42          1HG       PRO  42 107.750  -1.473  -6.959
  337   1HD   PRO  42          2HD       PRO  42 110.039  -1.523  -5.343
  338   2HD   PRO  42          1HD       PRO  42 109.891  -2.189  -6.983
  339    H    ILE  43           H        ILE  43 110.438   0.569  -4.702
  340    HA   ILE  43           HA       ILE  43 109.976   3.401  -3.883
  341    HB   ILE  43           HB       ILE  43 110.125   0.748  -2.424
  342   1HG1  ILE  43          2HG1      ILE  43 107.901   2.754  -2.926
  343   2HG1  ILE  43          1HG1      ILE  43 108.051   1.159  -3.662
  344   1HG2  ILE  43          1HG2      ILE  43 109.564   1.989  -0.380
  345   2HG2  ILE  43          2HG2      ILE  43 109.625   3.510  -1.266
  346   3HG2  ILE  43          3HG2      ILE  43 111.097   2.569  -1.029
  347   1HD1  ILE  43          1HD1      ILE  43 107.466   1.842  -0.780
  348   2HD1  ILE  43          2HD1      ILE  43 108.056   0.247  -1.248
  349   3HD1  ILE  43          3HD1      ILE  43 106.520   0.840  -1.880
  350    H    GLN  44           H        GLN  44 112.416   0.797  -3.633
  351    HA   GLN  44           HA       GLN  44 114.337   2.062  -2.022
  352   1HB   GLN  44          2HB       GLN  44 114.121  -0.162  -3.783
  353   2HB   GLN  44          1HB       GLN  44 115.599   0.693  -4.223
  354   1HG   GLN  44          2HG       GLN  44 115.662   0.710  -1.447
  355   2HG   GLN  44          1HG       GLN  44 115.006  -0.881  -1.828
  356   1HE2  GLN  44          1HE2      GLN  44 116.298  -1.991  -3.770
  357   2HE2  GLN  44          2HE2      GLN  44 117.988  -1.869  -3.670
  358    H    VAL  45           H        VAL  45 113.366   2.904  -5.264
  359    HA   VAL  45           HA       VAL  45 115.707   4.763  -5.495
  360    HB   VAL  45           HB       VAL  45 115.411   2.951  -7.203
  361   1HG1  VAL  45          1HG1      VAL  45 112.868   3.040  -7.075
  362   2HG1  VAL  45          2HG1      VAL  45 113.540   2.969  -8.703
  363   3HG1  VAL  45          3HG1      VAL  45 112.954   4.501  -8.058
  364   1HG2  VAL  45          1HG2      VAL  45 115.090   4.857  -9.145
  365   2HG2  VAL  45          2HG2      VAL  45 116.597   4.573  -8.275
  366   3HG2  VAL  45          3HG2      VAL  45 115.504   5.854  -7.750
  367    H    MET  46           H        MET  46 113.510   5.577  -3.873
  368    HA   MET  46           HA       MET  46 112.092   7.535  -5.644
  369   1HB   MET  46          2HB       MET  46 110.312   7.458  -4.030
  370   2HB   MET  46          1HB       MET  46 110.808   5.788  -4.295
  371   1HG   MET  46          2HG       MET  46 112.158   5.836  -2.253
  372   2HG   MET  46          1HG       MET  46 111.762   7.536  -2.007
  373   1HE   MET  46          1HE       MET  46 110.151   6.103   0.843
  374   2HE   MET  46          2HE       MET  46 111.695   5.906   0.019
  375   3HE   MET  46          3HE       MET  46 110.581   4.545   0.128
  376    H    MET  47           H        MET  47 114.843   7.744  -4.396
  377    HA   MET  47           HA       MET  47 116.127   9.505  -3.488
  378   1HB   MET  47          2HB       MET  47 114.161  10.721  -4.762
  379   2HB   MET  47          1HB       MET  47 113.603  11.093  -3.132
  380   1HG   MET  47          2HG       MET  47 116.475  11.556  -3.463
  381   2HG   MET  47          1HG       MET  47 115.503  12.531  -4.565
  382   1HE   MET  47          1HE       MET  47 112.820  12.905  -3.110
  383   2HE   MET  47          2HE       MET  47 113.720  14.172  -3.939
  384   3HE   MET  47          3HE       MET  47 113.098  14.461  -2.316
  385    H    MET  48           H        MET  48 113.717   7.850  -1.835
  386    HA   MET  48           HA       MET  48 113.128   7.658   0.451
  387   1HB   MET  48          2HB       MET  48 116.110   8.179   0.364
  388   2HB   MET  48          1HB       MET  48 115.277   7.635   1.821
  389   1HG   MET  48          2HG       MET  48 115.131   6.177  -0.830
  390   2HG   MET  48          1HG       MET  48 116.279   5.769   0.445
  391   1HE   MET  48          1HE       MET  48 112.824   4.583  -0.904
  392   2HE   MET  48          2HE       MET  48 113.304   3.174   0.035
  393   3HE   MET  48          3HE       MET  48 114.496   4.011  -0.955
  394    H    GLY  49           H        GLY  49 112.895  10.434  -0.666
  395   1HA   GLY  49          2HA       GLY  49 113.292  11.927   1.898
  396   2HA   GLY  49          1HA       GLY  49 113.558  12.685   0.328
  397    H    SER  50           H        SER  50 111.002  10.695  -0.216
  398    HA   SER  50           HA       SER  50 108.990  12.702   0.731
  399   1HB   SER  50          2HB       SER  50 107.945  12.317  -1.571
  400   2HB   SER  50          1HB       SER  50 109.456  13.221  -1.555
  401    HG   SER  50           HG       SER  50 109.348  11.486  -3.121
  402    H    ALA  51           H        ALA  51 108.050  11.347   2.300
  403    HA   ALA  51           HA       ALA  51 107.560   8.551   2.055
  404   1HB   ALA  51          1HB       ALA  51 105.565   9.504   3.683
  405   2HB   ALA  51          2HB       ALA  51 106.715  10.840   3.719
  406   3HB   ALA  51          3HB       ALA  51 107.224   9.225   4.209
  407    H    GLN  52           H        GLN  52 105.816  11.343   0.835
  408    HA   GLN  52           HA       GLN  52 103.258  10.308   0.294
  409   1HB   GLN  52          2HB       GLN  52 104.305  12.630  -0.038
  410   2HB   GLN  52          1HB       GLN  52 104.840  12.020  -1.596
  411   1HG   GLN  52          2HG       GLN  52 102.752  13.036  -2.070
  412   2HG   GLN  52          1HG       GLN  52 102.377  11.316  -1.954
  413   1HE2  GLN  52          1HE2      GLN  52 100.361  13.285  -1.460
  414   2HE2  GLN  52          2HE2      GLN  52  99.945  13.229   0.185
  415    H    VAL  53           H        VAL  53 106.311   9.605  -1.273
  416    HA   VAL  53           HA       VAL  53 105.024   8.163  -3.511
  417    HB   VAL  53           HB       VAL  53 107.939   8.321  -2.670
  418   1HG1  VAL  53          1HG1      VAL  53 106.743   6.774  -4.600
  419   2HG1  VAL  53          2HG1      VAL  53 108.421   7.316  -4.649
  420   3HG1  VAL  53          3HG1      VAL  53 107.177   8.219  -5.515
  421   1HG2  VAL  53          1HG2      VAL  53 108.108  10.230  -4.225
  422   2HG2  VAL  53          2HG2      VAL  53 106.979  10.590  -2.919
  423   3HG2  VAL  53          3HG2      VAL  53 106.371  10.152  -4.515
  424    H    ALA  54           H        ALA  54 106.786   7.475  -0.508
  425    HA   ALA  54           HA       ALA  54 107.143   4.665  -0.825
  426   1HB   ALA  54          1HB       ALA  54 107.385   4.730   1.629
  427   2HB   ALA  54          2HB       ALA  54 106.614   6.315   1.670
  428   3HB   ALA  54          3HB       ALA  54 108.187   6.120   0.898
  429    H    GLU  55           H        GLU  55 104.407   6.534   0.493
  430    HA   GLU  55           HA       GLU  55 102.880   4.174   1.254
  431   1HB   GLU  55          2HB       GLU  55 102.736   7.081   1.392
  432   2HB   GLU  55          1HB       GLU  55 101.169   6.385   0.981
  433   1HG   GLU  55          2HG       GLU  55 102.222   4.723   3.002
  434   2HG   GLU  55          1HG       GLU  55 102.555   6.374   3.526
  435    H    LEU  56           H        LEU  56 102.834   6.415  -1.523
  436    HA   LEU  56           HA       LEU  56 100.507   5.636  -2.851
  437   1HB   LEU  56          2HB       LEU  56 102.583   7.247  -3.356
  438   2HB   LEU  56          1HB       LEU  56 103.029   5.918  -4.421
  439    HG   LEU  56           HG       LEU  56 100.607   7.698  -4.533
  440   1HD1  LEU  56          1HD1      LEU  56 102.697   8.100  -5.883
  441   2HD1  LEU  56          2HD1      LEU  56 101.246   7.870  -6.857
  442   3HD1  LEU  56          3HD1      LEU  56 102.405   6.557  -6.682
  443   1HD2  LEU  56          1HD2      LEU  56 100.847   4.864  -5.586
  444   2HD2  LEU  56          2HD2      LEU  56  99.713   6.034  -6.259
  445   3HD2  LEU  56          3HD2      LEU  56  99.564   5.533  -4.575
  446    H    LEU  57           H        LEU  57 103.708   4.234  -3.683
  447    HA   LEU  57           HA       LEU  57 102.580   2.051  -5.170
  448   1HB   LEU  57          2HB       LEU  57 105.271   2.699  -3.970
  449   2HB   LEU  57          1HB       LEU  57 105.001   1.195  -4.853
  450    HG   LEU  57           HG       LEU  57 103.981   3.618  -6.200
  451   1HD1  LEU  57          1HD1      LEU  57 105.984   4.666  -6.657
  452   2HD1  LEU  57          2HD1      LEU  57 106.929   3.195  -6.428
  453   3HD1  LEU  57          3HD1      LEU  57 106.336   4.090  -5.029
  454   1HD2  LEU  57          1HD2      LEU  57 104.440   1.018  -6.886
  455   2HD2  LEU  57          2HD2      LEU  57 105.916   1.780  -7.483
  456   3HD2  LEU  57          3HD2      LEU  57 104.341   2.339  -8.051
  457    H    LEU  58           H        LEU  58 103.716   2.293  -1.792
  458    HA   LEU  58           HA       LEU  58 103.715  -0.425  -1.069
  459   1HB   LEU  58          2HB       LEU  58 104.441   1.440   0.363
  460   2HB   LEU  58          1HB       LEU  58 102.773   1.997   0.500
  461    HG   LEU  58           HG       LEU  58 102.602  -0.680   1.217
  462   1HD1  LEU  58          1HD1      LEU  58 104.478  -0.435   3.159
  463   2HD1  LEU  58          2HD1      LEU  58 105.298   0.387   1.832
  464   3HD1  LEU  58          3HD1      LEU  58 104.761  -1.282   1.639
  465   1HD2  LEU  58          1HD2      LEU  58 103.062   1.017   3.531
  466   2HD2  LEU  58          2HD2      LEU  58 101.557   0.298   2.962
  467   3HD2  LEU  58          3HD2      LEU  58 102.085   1.854   2.325
  468    H    LEU  59           H        LEU  59 100.953   1.762  -0.355
  469    HA   LEU  59           HA       LEU  59  99.060  -0.225   0.250
  470   1HB   LEU  59          2HB       LEU  59  97.415   1.542  -0.298
  471   2HB   LEU  59          1HB       LEU  59  98.788   2.211   0.584
  472    HG   LEU  59           HG       LEU  59  99.723   2.531  -1.905
  473   1HD1  LEU  59          1HD1      LEU  59  98.098   1.926  -3.384
  474   2HD1  LEU  59          2HD1      LEU  59  97.397   3.493  -2.986
  475   3HD1  LEU  59          3HD1      LEU  59  96.822   2.039  -2.173
  476   1HD2  LEU  59          1HD2      LEU  59  97.654   4.421  -0.754
  477   2HD2  LEU  59          2HD2      LEU  59  99.062   4.837  -1.731
  478   3HD2  LEU  59          3HD2      LEU  59  99.276   4.250  -0.082
  479    H    HIS  60           H        HIS  60 100.252   0.824  -2.889
  480    HA   HIS  60           HA       HIS  60  98.134  -0.458  -4.439
  481   1HB   HIS  60          2HB       HIS  60 100.709   0.973  -4.871
  482   2HB   HIS  60          1HB       HIS  60 100.174  -0.094  -6.170
  483    HD1  HIS  60           HD1      HIS  60  99.829   3.284  -5.106
  484    HD2  HIS  60           HD2      HIS  60  97.187   0.487  -6.709
  485    HE1  HIS  60           HE1      HIS  60  97.867   4.596  -6.024
  486    H    GLY  61           H        GLY  61 101.646  -1.187  -4.411
  487   1HA   GLY  61          2HA       GLY  61 101.556  -3.839  -3.586
  488   2HA   GLY  61          1HA       GLY  61 101.235  -3.869  -5.315
  489    H    ALA  62           H        ALA  62 103.378  -1.605  -3.622
  490    HA   ALA  62           HA       ALA  62 105.500  -1.838  -5.508
  491   1HB   ALA  62          1HB       ALA  62 106.319  -0.166  -4.210
  492   2HB   ALA  62          2HB       ALA  62 106.310  -1.184  -2.769
  493   3HB   ALA  62          3HB       ALA  62 104.846  -0.335  -3.258
  494    H    GLU  63           H        GLU  63 107.821  -2.343  -4.110
  495    HA   GLU  63           HA       GLU  63 107.550  -5.226  -3.317
  496   1HB   GLU  63          2HB       GLU  63 109.436  -3.714  -5.103
  497   2HB   GLU  63          1HB       GLU  63 110.012  -5.169  -4.288
  498   1HG   GLU  63          2HG       GLU  63 108.559  -6.560  -5.443
  499   2HG   GLU  63          1HG       GLU  63 107.379  -5.276  -5.710
  500    HA   PRO  64           HA       PRO  64 109.581  -2.837   0.085
  501   1HB   PRO  64          2HB       PRO  64 107.935  -3.682   2.096
  502   2HB   PRO  64          1HB       PRO  64 107.580  -2.266   1.089
  503   1HG   PRO  64          2HG       PRO  64 106.424  -4.988   0.995
  504   2HG   PRO  64          1HG       PRO  64 105.681  -3.427   0.619
  505   1HD   PRO  64          2HD       PRO  64 106.600  -5.267  -1.248
  506   2HD   PRO  64          1HD       PRO  64 106.280  -3.550  -1.565
  507    H    ASN  65           H        ASN  65 108.606  -6.156  -0.390
  508    HA   ASN  65           HA       ASN  65 110.423  -7.145   1.742
  509   1HB   ASN  65          2HB       ASN  65 108.487  -8.473  -0.181
  510   2HB   ASN  65          1HB       ASN  65 109.389  -9.330   1.069
  511   1HD2  ASN  65          1HD2      ASN  65 107.228  -9.864   2.054
  512   2HD2  ASN  65          2HD2      ASN  65 106.435  -8.696   2.997
  513    H    CYS  66           H        CYS  66 109.962  -7.513  -1.797
  514    HA   CYS  66           HA       CYS  66 112.240  -9.120  -2.319
  515   1HB   CYS  66          2HB       CYS  66 110.243  -7.665  -3.721
  516   2HB   CYS  66          1HB       CYS  66 111.799  -7.289  -4.445
  517    HG   CYS  66           HG       CYS  66 111.814  -9.543  -5.453
  518    H    ALA  67           H        ALA  67 114.198  -8.232  -3.642
  519    HA   ALA  67           HA       ALA  67 115.072  -5.504  -3.104
  520   1HB   ALA  67          1HB       ALA  67 116.907  -6.255  -1.539
  521   2HB   ALA  67          2HB       ALA  67 116.132  -7.838  -1.485
  522   3HB   ALA  67          3HB       ALA  67 115.285  -6.421  -0.870
  523    H    ASP  68           H        ASP  68 117.677  -5.545  -3.452
  524    HA   ASP  68           HA       ASP  68 118.080  -6.652  -6.119
  525   1HB   ASP  68          2HB       ASP  68 118.975  -4.491  -5.550
  526   2HB   ASP  68          1HB       ASP  68 119.775  -5.137  -4.117
  527    HA   PRO  69           HA       PRO  69 119.703 -10.475  -4.434
  528   1HB   PRO  69          2HB       PRO  69 120.171 -11.692  -6.835
  529   2HB   PRO  69          1HB       PRO  69 118.553 -11.567  -6.116
  530   1HG   PRO  69          2HG       PRO  69 119.779  -9.976  -8.303
  531   2HG   PRO  69          1HG       PRO  69 118.108 -10.520  -8.099
  532   1HD   PRO  69          2HD       PRO  69 118.982  -7.967  -7.582
  533   2HD   PRO  69          1HD       PRO  69 117.537  -8.702  -6.854
  534    H    ALA  70           H        ALA  70 121.302  -8.181  -6.462
  535    HA   ALA  70           HA       ALA  70 123.848  -9.574  -6.701
  536   1HB   ALA  70          1HB       ALA  70 123.061  -6.656  -6.974
  537   2HB   ALA  70          2HB       ALA  70 123.038  -7.851  -8.271
  538   3HB   ALA  70          3HB       ALA  70 124.571  -7.363  -7.549
  539    H    THR  71           H        THR  71 122.348  -7.617  -4.224
  540    HA   THR  71           HA       THR  71 124.735  -7.981  -2.521
  541    HB   THR  71           HB       THR  71 124.184  -5.280  -2.159
  542    HG1  THR  71           HG1      THR  71 123.638  -4.447  -4.004
  543   1HG2  THR  71          1HG2      THR  71 126.292  -6.941  -3.372
  544   2HG2  THR  71          2HG2      THR  71 126.422  -5.630  -2.199
  545   3HG2  THR  71          3HG2      THR  71 126.282  -5.264  -3.918
  546    H    LEU  72           H        LEU  72 121.786  -8.724  -2.558
  547    HA   LEU  72           HA       LEU  72 119.941  -8.742  -1.054
  548   1HB   LEU  72          2HB       LEU  72 122.393  -8.517   0.711
  549   2HB   LEU  72          1HB       LEU  72 120.812  -9.041   1.282
  550    HG   LEU  72           HG       LEU  72 122.459 -10.384  -0.880
  551   1HD1  LEU  72          1HD1      LEU  72 123.255 -10.631   1.511
  552   2HD1  LEU  72          2HD1      LEU  72 122.808 -12.146   0.729
  553   3HD1  LEU  72          3HD1      LEU  72 121.706 -11.388   1.877
  554   1HD2  LEU  72          1HD2      LEU  72 120.564 -12.168  -0.258
  555   2HD2  LEU  72          2HD2      LEU  72 120.311 -10.944  -1.502
  556   3HD2  LEU  72          3HD2      LEU  72 119.665 -10.699   0.121
  557    H    THR  73           H        THR  73 120.306  -6.093  -2.054
  558    HA   THR  73           HA       THR  73 120.261  -4.296   0.305
  559    HB   THR  73           HB       THR  73 119.695  -3.016  -2.215
  560    HG1  THR  73           HG1      THR  73 121.598  -3.711  -3.291
  561   1HG2  THR  73          1HG2      THR  73 122.204  -3.128  -0.519
  562   2HG2  THR  73          2HG2      THR  73 120.863  -2.007  -0.288
  563   3HG2  THR  73          3HG2      THR  73 121.846  -1.917  -1.749
  564    H    ARG  74           H        ARG  74 118.276  -4.474   1.345
  565    HA   ARG  74           HA       ARG  74 115.763  -4.692  -0.178
  566   1HB   ARG  74          2HB       ARG  74 116.763  -5.311   2.400
  567   2HB   ARG  74          1HB       ARG  74 115.465  -4.142   2.639
  568   1HG   ARG  74          2HG       ARG  74 114.090  -5.943   2.478
  569   2HG   ARG  74          1HG       ARG  74 114.371  -5.803   0.744
  570   1HD   ARG  74          2HD       ARG  74 116.570  -7.234   1.441
  571   2HD   ARG  74          1HD       ARG  74 115.423  -7.810   2.665
  572    HE   ARG  74           HE       ARG  74 114.065  -7.734   0.166
  573   1HH1  ARG  74          1HH2      ARG  74 117.128  -8.988   0.560
  574   2HH1  ARG  74          2HH2      ARG  74 116.704 -10.631   0.211
  575   1HH2  ARG  74          2HH1      ARG  74 113.290 -10.035   0.230
  576   2HH2  ARG  74          1HH1      ARG  74 114.534 -11.223   0.023
  577    HA   PRO  75           HA       PRO  75 114.654  -0.433   0.057
  578   1HB   PRO  75          2HB       PRO  75 112.084  -0.408   0.987
  579   2HB   PRO  75          1HB       PRO  75 112.520  -0.992  -0.630
  580   1HG   PRO  75          2HG       PRO  75 111.808  -2.516   1.800
  581   2HG   PRO  75          1HG       PRO  75 111.547  -2.912   0.096
  582   1HD   PRO  75          2HD       PRO  75 113.540  -3.965   1.729
  583   2HD   PRO  75          1HD       PRO  75 113.507  -4.032  -0.045
  584    H    VAL  76           H        VAL  76 114.482  -2.232   3.026
  585    HA   VAL  76           HA       VAL  76 113.854  -0.079   4.837
  586    HB   VAL  76           HB       VAL  76 115.426  -2.655   5.186
  587   1HG1  VAL  76          1HG1      VAL  76 115.704  -0.927   7.013
  588   2HG1  VAL  76          2HG1      VAL  76 114.973  -2.440   7.547
  589   3HG1  VAL  76          3HG1      VAL  76 113.962  -1.021   7.278
  590   1HG2  VAL  76          1HG2      VAL  76 113.087  -2.883   4.295
  591   2HG2  VAL  76          2HG2      VAL  76 112.504  -2.052   5.737
  592   3HG2  VAL  76          3HG2      VAL  76 113.305  -3.615   5.885
  593    H    HIS  77           H        HIS  77 116.896  -1.310   3.476
  594    HA   HIS  77           HA       HIS  77 118.668   0.255   5.126
  595   1HB   HIS  77          2HB       HIS  77 118.863  -1.077   2.415
  596   2HB   HIS  77          1HB       HIS  77 120.245  -0.299   3.187
  597    HD1  HIS  77           HD1      HIS  77 117.791  -3.140   3.718
  598    HD2  HIS  77           HD2      HIS  77 121.423  -1.783   5.251
  599    HE1  HIS  77           HE1      HIS  77 118.641  -4.957   5.267
  600    H    ASP  78           H        ASP  78 117.168   0.832   1.942
  601    HA   ASP  78           HA       ASP  78 118.542   3.208   1.227
  602   1HB   ASP  78          2HB       ASP  78 116.488   1.616   0.260
  603   2HB   ASP  78          1HB       ASP  78 115.675   3.145   0.589
  604    H    ALA  79           H        ALA  79 115.359   2.938   2.871
  605    HA   ALA  79           HA       ALA  79 115.103   5.728   3.458
  606   1HB   ALA  79          1HB       ALA  79 114.024   3.385   5.051
  607   2HB   ALA  79          2HB       ALA  79 113.361   3.867   3.488
  608   3HB   ALA  79          3HB       ALA  79 113.291   4.978   4.856
  609    H    ALA  80           H        ALA  80 117.060   3.248   4.884
  610    HA   ALA  80           HA       ALA  80 117.359   4.550   7.493
  611   1HB   ALA  80          1HB       ALA  80 119.372   2.720   7.275
  612   2HB   ALA  80          2HB       ALA  80 118.244   2.115   6.061
  613   3HB   ALA  80          3HB       ALA  80 117.720   2.307   7.735
  614    H    ARG  81           H        ARG  81 119.386   4.156   4.561
  615    HA   ARG  81           HA       ARG  81 121.661   5.587   5.566
  616   1HB   ARG  81          2HB       ARG  81 122.290   5.645   3.182
  617   2HB   ARG  81          1HB       ARG  81 121.629   4.066   3.605
  618   1HG   ARG  81          2HG       ARG  81 119.876   4.308   2.197
  619   2HG   ARG  81          1HG       ARG  81 119.561   5.952   2.743
  620   1HD   ARG  81          2HD       ARG  81 121.784   5.199   0.814
  621   2HD   ARG  81          1HD       ARG  81 120.220   5.885   0.334
  622    HE   ARG  81           HE       ARG  81 121.678   7.387   2.412
  623   1HH1  ARG  81          1HH2      ARG  81 119.699   7.759  -0.182
  624   2HH1  ARG  81          2HH2      ARG  81 120.595   9.024  -0.952
  625   1HH2  ARG  81          2HH1      ARG  81 123.360   8.687   1.111
  626   2HH2  ARG  81          1HH1      ARG  81 122.667   9.552  -0.220
  627    H    GLU  82           H        GLU  82 118.567   6.659   4.397
  628    HA   GLU  82           HA       GLU  82 119.537   9.437   3.956
  629   1HB   GLU  82          2HB       GLU  82 117.022   7.859   3.426
  630   2HB   GLU  82          1HB       GLU  82 117.004   9.621   3.336
  631   1HG   GLU  82          2HG       GLU  82 119.324   8.655   1.946
  632   2HG   GLU  82          1HG       GLU  82 117.911   7.781   1.359
  633    H    GLY  83           H        GLY  83 117.094   7.682   5.896
  634   1HA   GLY  83          2HA       GLY  83 116.938   8.213   8.317
  635   2HA   GLY  83          1HA       GLY  83 117.271   9.892   7.900
  636    H    PHE  84           H        PHE  84 115.185   8.316   5.681
  637    HA   PHE  84           HA       PHE  84 112.958  10.047   6.453
  638   1HB   PHE  84          2HB       PHE  84 113.899   8.684   4.174
  639   2HB   PHE  84          1HB       PHE  84 112.350   7.930   4.551
  640    HD1  PHE  84           HD1      PHE  84 111.781  12.190   4.379
  641    HD2  PHE  84           HD2      PHE  84 110.467   9.958   5.610
  642    HE1  PHE  84           HE1      PHE  84 109.519  10.519   3.883
  643    HE2  PHE  84           HE2      PHE  84 111.757  12.183   4.356
  644    HZ   PHE  84           HZ       PHE  84 111.459   9.823   2.241
  645    H    LEU  85           H        LEU  85 112.695   9.112   8.671
  646    HA   LEU  85           HA       LEU  85 112.018   6.402   9.217
  647   1HB   LEU  85          2HB       LEU  85 112.183   8.909  10.541
  648   2HB   LEU  85          1HB       LEU  85 110.581   8.263  10.895
  649    HG   LEU  85           HG       LEU  85 113.165   6.711  11.225
  650   1HD1  LEU  85          1HD1      LEU  85 112.462   6.977  13.713
  651   2HD1  LEU  85          2HD1      LEU  85 111.491   8.331  13.138
  652   3HD1  LEU  85          3HD1      LEU  85 113.240   8.347  12.921
  653   1HD2  LEU  85          1HD2      LEU  85 111.584   5.043  11.050
  654   2HD2  LEU  85          2HD2      LEU  85 110.259   6.105  11.526
  655   3HD2  LEU  85          3HD2      LEU  85 111.343   5.444  12.751
  656    H    ASP  86           H        ASP  86 110.139   8.982   7.783
  657    HA   ASP  86           HA       ASP  86 107.500   8.046   8.338
  658   1HB   ASP  86          2HB       ASP  86 108.345  10.246   7.311
  659   2HB   ASP  86          1HB       ASP  86 108.442   9.368   5.784
  660    H    THR  87           H        THR  87 109.558   7.455   5.449
  661    HA   THR  87           HA       THR  87 107.811   5.644   4.122
  662    HB   THR  87           HB       THR  87 110.831   5.920   4.205
  663    HG1  THR  87           HG1      THR  87 110.518   7.385   2.712
  664   1HG2  THR  87          1HG2      THR  87 109.309   4.633   1.953
  665   2HG2  THR  87          2HG2      THR  87 109.834   3.668   3.331
  666   3HG2  THR  87          3HG2      THR  87 111.022   4.512   2.338
  667    H    LEU  88           H        LEU  88 110.203   5.104   6.697
  668    HA   LEU  88           HA       LEU  88 110.322   2.269   6.644
  669   1HB   LEU  88          2HB       LEU  88 110.733   4.470   8.607
  670   2HB   LEU  88          1HB       LEU  88 110.558   2.846   9.275
  671    HG   LEU  88           HG       LEU  88 112.258   2.267   7.290
  672   1HD1  LEU  88          1HD1      LEU  88 113.017   5.095   8.078
  673   2HD1  LEU  88          2HD1      LEU  88 112.266   4.671   6.539
  674   3HD1  LEU  88          3HD1      LEU  88 113.867   4.047   6.942
  675   1HD2  LEU  88          1HD2      LEU  88 112.765   1.709   9.557
  676   2HD2  LEU  88          2HD2      LEU  88 112.857   3.405  10.029
  677   3HD2  LEU  88          3HD2      LEU  88 114.112   2.706   9.006
  678    H    VAL  89           H        VAL  89 108.077   4.419   8.414
  679    HA   VAL  89           HA       VAL  89 106.528   2.420   9.711
  680    HB   VAL  89           HB       VAL  89 105.837   5.154   8.578
  681   1HG1  VAL  89          1HG1      VAL  89 103.772   3.914   8.931
  682   2HG1  VAL  89          2HG1      VAL  89 103.955   5.090  10.232
  683   3HG1  VAL  89          3HG1      VAL  89 104.319   3.389  10.523
  684   1HG2  VAL  89          1HG2      VAL  89 106.363   5.993  10.733
  685   2HG2  VAL  89          2HG2      VAL  89 107.657   4.845  10.386
  686   3HG2  VAL  89          3HG2      VAL  89 106.333   4.385  11.457
  687    H    VAL  90           H        VAL  90 106.077   3.961   6.519
  688    HA   VAL  90           HA       VAL  90 103.729   2.726   5.658
  689    HB   VAL  90           HB       VAL  90 106.260   3.318   4.091
  690   1HG1  VAL  90          1HG1      VAL  90 103.354   3.091   3.267
  691   2HG1  VAL  90          2HG1      VAL  90 104.674   2.032   2.772
  692   3HG1  VAL  90          3HG1      VAL  90 104.637   3.707   2.227
  693   1HG2  VAL  90          1HG2      VAL  90 104.768   5.468   3.652
  694   2HG2  VAL  90          2HG2      VAL  90 105.776   5.363   5.097
  695   3HG2  VAL  90          3HG2      VAL  90 104.049   5.019   5.199
  696    H    LEU  91           H        LEU  91 107.061   1.514   5.059
  697    HA   LEU  91           HA       LEU  91 106.457  -0.940   3.837
  698   1HB   LEU  91          2HB       LEU  91 108.635   0.211   5.500
  699   2HB   LEU  91          1HB       LEU  91 108.629  -1.547   5.356
  700    HG   LEU  91           HG       LEU  91 108.198  -0.930   2.780
  701   1HD1  LEU  91          1HD1      LEU  91 109.818   1.382   3.894
  702   2HD1  LEU  91          2HD1      LEU  91 108.212   1.495   3.174
  703   3HD1  LEU  91          3HD1      LEU  91 109.592   1.031   2.180
  704   1HD2  LEU  91          1HD2      LEU  91 110.827  -0.894   2.641
  705   2HD2  LEU  91          2HD2      LEU  91 110.009  -2.333   3.251
  706   3HD2  LEU  91          3HD2      LEU  91 110.733  -1.186   4.378
  707    H    HIS  92           H        HIS  92 107.200  -0.599   7.334
  708    HA   HIS  92           HA       HIS  92 106.242  -3.180   8.092
  709   1HB   HIS  92          2HB       HIS  92 107.627  -1.191   9.257
  710   2HB   HIS  92          1HB       HIS  92 106.044  -0.858   9.959
  711    HD1  HIS  92           HD1      HIS  92 106.904  -1.670  12.306
  712    HD2  HIS  92           HD2      HIS  92 106.957  -4.609   9.349
  713    HE1  HIS  92           HE1      HIS  92 107.233  -3.878  13.500
  714    H    ARG  93           H        ARG  93 104.556  -0.210   7.381
  715    HA   ARG  93           HA       ARG  93 102.105  -0.855   8.830
  716   1HB   ARG  93          2HB       ARG  93 102.847   1.438   8.333
  717   2HB   ARG  93          1HB       ARG  93 102.770   1.103   6.605
  718   1HG   ARG  93          2HG       ARG  93 100.355   0.745   6.749
  719   2HG   ARG  93          1HG       ARG  93 100.405   0.971   8.498
  720   1HD   ARG  93          2HD       ARG  93 100.919   3.282   8.304
  721   2HD   ARG  93          1HD       ARG  93 101.402   3.113   6.604
  722    HE   ARG  93           HE       ARG  93  98.813   2.256   6.523
  723   1HH1  ARG  93          2HH1      ARG  93 100.380   5.194   6.609
  724   2HH1  ARG  93          1HH1      ARG  93  98.992   6.137   7.043
  725   1HH2  ARG  93          1HH2      ARG  93  96.983   3.382   7.666
  726   2HH2  ARG  93          2HH2      ARG  93  97.072   5.112   7.641
  727    H    ALA  94           H        ALA  94 103.486  -2.014   5.941
  728    HA   ALA  94           HA       ALA  94 100.861  -3.067   5.073
  729   1HB   ALA  94          1HB       ALA  94 101.087  -1.588   3.355
  730   2HB   ALA  94          2HB       ALA  94 102.276  -2.737   2.739
  731   3HB   ALA  94          3HB       ALA  94 102.802  -1.347   3.688
  732    H    GLY  95           H        GLY  95 103.018  -4.318   6.648
  733   1HA   GLY  95          2HA       GLY  95 104.015  -6.446   6.726
  734   2HA   GLY  95          1HA       GLY  95 103.250  -6.795   5.175
  735    H    ALA  96           H        ALA  96 106.117  -5.500   6.723
  736    HA   ALA  96           HA       ALA  96 107.489  -5.482   4.052
  737   1HB   ALA  96          1HB       ALA  96 107.535  -3.268   4.764
  738   2HB   ALA  96          2HB       ALA  96 109.020  -3.862   5.506
  739   3HB   ALA  96          3HB       ALA  96 107.550  -3.712   6.470
  740    H    ARG  97           H        ARG  97 109.698  -6.273   4.062
  741    HA   ARG  97           HA       ARG  97 110.174  -8.385   6.077
  742   1HB   ARG  97          2HB       ARG  97 110.470  -8.237   3.392
  743   2HB   ARG  97          1HB       ARG  97 112.099  -7.778   3.889
  744   1HG   ARG  97          2HG       ARG  97 110.744 -10.191   5.083
  745   2HG   ARG  97          1HG       ARG  97 111.601 -10.302   3.546
  746   1HD   ARG  97          2HD       ARG  97 113.658 -10.097   4.535
  747   2HD   ARG  97          1HD       ARG  97 113.073  -8.917   5.724
  748    HE   ARG  97           HE       ARG  97 112.244 -10.745   7.080
  749   1HH1  ARG  97          1HH2      ARG  97 114.930 -11.563   5.446
  750   2HH1  ARG  97          2HH2      ARG  97 114.623 -13.263   5.332
  751   1HH2  ARG  97          2HH1      ARG  97 111.332 -13.008   6.392
  752   2HH2  ARG  97          1HH1      ARG  97 112.588 -14.083   5.874
  753    H    LEU  98           H        LEU  98 110.555  -6.624   7.790
  754    HA   LEU  98           HA       LEU  98 113.039  -5.067   7.566
  755   1HB   LEU  98          2HB       LEU  98 110.786  -5.451   9.507
  756   2HB   LEU  98          1HB       LEU  98 112.282  -4.723  10.093
  757    HG   LEU  98           HG       LEU  98 111.168  -3.683   7.528
  758   1HD1  LEU  98          1HD1      LEU  98 109.177  -3.855   8.982
  759   2HD1  LEU  98          2HD1      LEU  98 109.645  -2.171   8.744
  760   3HD1  LEU  98          3HD1      LEU  98 110.036  -2.990  10.257
  761   1HD2  LEU  98          1HD2      LEU  98 113.302  -2.872   8.558
  762   2HD2  LEU  98          2HD2      LEU  98 112.382  -2.340   9.965
  763   3HD2  LEU  98          3HD2      LEU  98 112.097  -1.595   8.392
  764    H    ASP  99           H        ASP  99 114.196  -7.306   7.201
  765    HA   ASP  99           HA       ASP  99 115.655  -7.957   9.631
  766   1HB   ASP  99          2HB       ASP  99 113.262  -9.156   9.533
  767   2HB   ASP  99          1HB       ASP  99 114.150 -10.291   8.517
  768    H    VAL 100           H        VAL 100 116.440  -7.079   7.064
  769    HA   VAL 100           HA       VAL 100 117.815  -9.513   5.969
  770    HB   VAL 100           HB       VAL 100 115.969  -8.479   4.574
  771   1HG1  VAL 100          1HG1      VAL 100 117.735  -6.226   3.828
  772   2HG1  VAL 100          2HG1      VAL 100 116.986  -6.101   5.420
  773   3HG1  VAL 100          3HG1      VAL 100 115.978  -6.281   3.984
  774   1HG2  VAL 100          1HG2      VAL 100 117.102  -8.987   2.648
  775   2HG2  VAL 100          2HG2      VAL 100 118.332  -9.538   3.785
  776   3HG2  VAL 100          3HG2      VAL 100 118.463  -7.940   3.050
  777    H    CYS 101           H        CYS 101 119.883  -8.812   4.737
  778    HA   CYS 101           HA       CYS 101 121.211  -6.543   6.188
  779   1HB   CYS 101          2HB       CYS 101 123.033  -8.565   5.147
  780   2HB   CYS 101          1HB       CYS 101 122.865  -7.974   6.792
  781    HG   CYS 101           HG       CYS 101 121.645 -10.560   5.694
  782    H    ASP 102           H        ASP 102 122.250  -5.057   4.859
  783    HA   ASP 102           HA       ASP 102 121.750  -5.124   2.009
  784   1HB   ASP 102          2HB       ASP 102 122.593  -3.301   4.015
  785   2HB   ASP 102          1HB       ASP 102 123.886  -3.333   2.816
  786    H    ALA 103           H        ALA 103 122.737  -7.337   1.776
  787    HA   ALA 103           HA       ALA 103 124.416  -8.671   0.801
  788   1HB   ALA 103          1HB       ALA 103 124.949  -5.970   0.084
  789   2HB   ALA 103          2HB       ALA 103 125.525  -7.423  -0.728
  790   3HB   ALA 103          3HB       ALA 103 126.496  -6.679   0.541
  791    H    TRP 104           H        TRP 104 126.303  -6.202   2.571
  792    HA   TRP 104           HA       TRP 104 127.128  -8.286   4.546
  793   1HB   TRP 104          2HB       TRP 104 129.109  -6.401   3.262
  794   2HB   TRP 104          1HB       TRP 104 129.428  -7.916   4.103
  795    HD1  TRP 104           HD1      TRP 104 128.474 -10.188   2.798
  796    HE1  TRP 104           HE1      TRP 104 128.483 -10.696   0.270
  797    HE3  TRP 104           HE3      TRP 104 129.021  -5.459   0.945
  798    HZ2  TRP 104           HZ2      TRP 104 128.694  -9.284  -2.211
  799    HZ3  TRP 104           HZ3      TRP 104 129.122  -5.070  -1.500
  800    HH2  TRP 104           HH2      TRP 104 128.959  -6.974  -3.080
  801    H    GLY 105           H        GLY 105 125.314  -5.979   4.741
  802   1HA   GLY 105          2HA       GLY 105 126.919  -4.120   6.432
  803   2HA   GLY 105          1HA       GLY 105 125.371  -3.715   5.698
  804    H    ARG 106           H        ARG 106 125.782  -6.834   7.202
  805    HA   ARG 106           HA       ARG 106 124.788  -7.774   9.125
  806   1HB   ARG 106          2HB       ARG 106 125.769  -5.084   9.788
  807   2HB   ARG 106          1HB       ARG 106 124.481  -5.631  10.859
  808   1HG   ARG 106          2HG       ARG 106 125.706  -7.677  11.359
  809   2HG   ARG 106          1HG       ARG 106 126.961  -7.243  10.198
  810   1HD   ARG 106          2HD       ARG 106 126.266  -5.421  12.512
  811   2HD   ARG 106          1HD       ARG 106 127.471  -6.714  12.669
  812    HE   ARG 106           HE       ARG 106 128.073  -5.331  10.280
  813   1HH1  ARG 106          1HH2      ARG 106 127.137  -3.566  12.886
  814   2HH1  ARG 106          2HH2      ARG 106 128.682  -2.863  13.232
  815   1HH2  ARG 106          2HH1      ARG 106 130.410  -4.935  11.056
  816   2HH2  ARG 106          1HH1      ARG 106 130.534  -3.638  12.196
  817    H    LEU 107           H        LEU 107 123.355  -4.505   9.272
  818    HA   LEU 107           HA       LEU 107 120.729  -5.531   8.384
  819   1HB   LEU 107          2HB       LEU 107 121.528  -4.913  11.206
  820   2HB   LEU 107          1HB       LEU 107 119.885  -4.521  10.700
  821    HG   LEU 107           HG       LEU 107 120.211  -7.052   9.662
  822   1HD1  LEU 107          1HD1      LEU 107 121.185  -7.458  12.434
  823   2HD1  LEU 107          2HD1      LEU 107 122.380  -6.842  11.294
  824   3HD1  LEU 107          3HD1      LEU 107 121.552  -8.365  10.967
  825   1HD2  LEU 107          1HD2      LEU 107 118.244  -6.242  10.872
  826   2HD2  LEU 107          2HD2      LEU 107 119.151  -6.227  12.385
  827   3HD2  LEU 107          3HD2      LEU 107 118.790  -7.759  11.588
  828    HA   PRO 108           HA       PRO 108 120.177  -1.334   7.215
  829   1HB   PRO 108          2HB       PRO 108 117.539  -0.846   7.763
  830   2HB   PRO 108          1HB       PRO 108 118.073  -1.875   6.419
  831   1HG   PRO 108          2HG       PRO 108 117.068  -2.653   9.113
  832   2HG   PRO 108          1HG       PRO 108 116.744  -3.385   7.534
  833   1HD   PRO 108          2HD       PRO 108 118.508  -4.428   9.318
  834   2HD   PRO 108          1HD       PRO 108 118.680  -4.615   7.559
  835    H    VAL 109           H        VAL 109 119.043  -2.171  10.461
  836    HA   VAL 109           HA       VAL 109 118.777   0.485  11.503
  837    HB   VAL 109           HB       VAL 109 117.909  -1.583  12.552
  838   1HG1  VAL 109          1HG1      VAL 109 120.081  -2.866  11.928
  839   2HG1  VAL 109          2HG1      VAL 109 119.301  -3.252  13.460
  840   3HG1  VAL 109          3HG1      VAL 109 120.723  -2.209  13.434
  841   1HG2  VAL 109          1HG2      VAL 109 119.901  -0.577  14.540
  842   2HG2  VAL 109          2HG2      VAL 109 118.160  -0.805  14.713
  843   3HG2  VAL 109          3HG2      VAL 109 118.784   0.592  13.835
  844    H    ASP 110           H        ASP 110 121.563  -1.723  11.289
  845    HA   ASP 110           HA       ASP 110 123.400  -0.120  12.814
  846   1HB   ASP 110          2HB       ASP 110 123.798  -2.129  10.570
  847   2HB   ASP 110          1HB       ASP 110 125.070  -1.572  11.658
  848    H    LEU 111           H        LEU 111 122.934  -0.439   9.270
  849    HA   LEU 111           HA       LEU 111 124.843   1.464   8.420
  850   1HB   LEU 111          2HB       LEU 111 123.445  -0.172   7.070
  851   2HB   LEU 111          1HB       LEU 111 122.104   0.965   7.219
  852    HG   LEU 111           HG       LEU 111 124.694   2.093   6.291
  853   1HD1  LEU 111          1HD1      LEU 111 122.968   0.251   4.612
  854   2HD1  LEU 111          2HD1      LEU 111 124.680   0.053   4.988
  855   3HD1  LEU 111          3HD1      LEU 111 124.154   1.369   3.938
  856   1HD2  LEU 111          1HD2      LEU 111 122.818   3.573   6.453
  857   2HD2  LEU 111          2HD2      LEU 111 121.758   2.427   5.633
  858   3HD2  LEU 111          3HD2      LEU 111 123.032   3.248   4.733
  859    H    ALA 112           H        ALA 112 121.626   1.930   9.777
  860    HA   ALA 112           HA       ALA 112 121.264   4.683   9.005
  861   1HB   ALA 112          1HB       ALA 112 119.407   3.321   9.712
  862   2HB   ALA 112          2HB       ALA 112 119.610   4.571  10.941
  863   3HB   ALA 112          3HB       ALA 112 120.198   2.936  11.240
  864    H    GLU 113           H        GLU 113 121.701   3.611  12.379
  865    HA   GLU 113           HA       GLU 113 122.656   6.033  13.396
  866   1HB   GLU 113          2HB       GLU 113 123.677   4.518  15.178
  867   2HB   GLU 113          1HB       GLU 113 121.962   4.270  14.856
  868   1HG   GLU 113          2HG       GLU 113 122.348   2.292  13.651
  869   2HG   GLU 113          1HG       GLU 113 124.047   2.671  13.382
  870    H    GLU 114           H        GLU 114 124.395   3.578  11.593
  871    HA   GLU 114           HA       GLU 114 127.075   4.212  12.283
  872   1HB   GLU 114          2HB       GLU 114 125.587   2.957  10.038
  873   2HB   GLU 114          1HB       GLU 114 127.233   3.477   9.674
  874   1HG   GLU 114          2HG       GLU 114 127.948   2.263  11.803
  875   2HG   GLU 114          1HG       GLU 114 126.337   1.548  11.826
  876    H    GLN 115           H        GLN 115 125.099   5.525   9.579
  877    HA   GLN 115           HA       GLN 115 127.148   7.480   8.861
  878   1HB   GLN 115          2HB       GLN 115 124.328   6.808   8.051
  879   2HB   GLN 115          1HB       GLN 115 125.077   8.293   7.466
  880   1HG   GLN 115          2HG       GLN 115 126.365   5.564   7.203
  881   2HG   GLN 115          1HG       GLN 115 125.379   6.298   5.938
  882   1HE2  GLN 115          1HE2      GLN 115 128.281   5.699   5.775
  883   2HE2  GLN 115          2HE2      GLN 115 129.059   7.186   5.517
  884    H    GLY 116           H        GLY 116 123.733   8.221   9.586
  885   1HA   GLY 116          2HA       GLY 116 124.351   9.886  11.878
  886   2HA   GLY 116          1HA       GLY 116 124.098  10.853  10.425
  887    H    HIS 117           H        HIS 117 122.444   7.812  11.130
  888    HA   HIS 117           HA       HIS 117 119.881   9.361  11.402
  889   1HB   HIS 117          2HB       HIS 117 120.064   6.575  10.274
  890   2HB   HIS 117          1HB       HIS 117 118.857   7.818   9.959
  891    HD1  HIS 117           HD1      HIS 117 119.662   9.872   8.433
  892    HD2  HIS 117           HD2      HIS 117 122.234   6.593   8.514
  893    HE1  HIS 117           HE1      HIS 117 121.250  10.158   6.481
  894    H    ARG 118           H        ARG 118 120.365   9.189  13.785
  895    HA   ARG 118           HA       ARG 118 120.368   6.530  15.019
  896   1HB   ARG 118          2HB       ARG 118 120.271   9.399  15.967
  897   2HB   ARG 118          1HB       ARG 118 120.164   8.048  17.097
  898   1HG   ARG 118          2HG       ARG 118 122.302   7.155  16.019
  899   2HG   ARG 118          1HG       ARG 118 122.445   8.727  15.231
  900   1HD   ARG 118          2HD       ARG 118 123.739   8.667  17.354
  901   2HD   ARG 118          1HD       ARG 118 122.404   9.832  17.462
  902    HE   ARG 118           HE       ARG 118 121.397   8.423  19.068
  903   1HH1  ARG 118          1HH2      ARG 118 124.367   7.197  18.855
  904   2HH1  ARG 118          2HH2      ARG 118 123.952   5.524  19.013
  905   1HH2  ARG 118          2HH1      ARG 118 120.556   6.048  18.543
  906   2HH2  ARG 118          1HH1      ARG 118 121.794   4.872  18.834
  907    H    ASP 119           H        ASP 119 118.043   9.203  14.618
  908    HA   ASP 119           HA       ASP 119 115.927   8.233  16.230
  909   1HB   ASP 119          2HB       ASP 119 115.934   9.745  13.597
  910   2HB   ASP 119          1HB       ASP 119 114.536   9.618  14.665
  911    H    ILE 120           H        ILE 120 116.673   7.536  12.806
  912    HA   ILE 120           HA       ILE 120 114.400   5.742  12.473
  913    HB   ILE 120           HB       ILE 120 115.585   7.142  10.720
  914   1HG1  ILE 120          2HG1      ILE 120 115.480   4.168  10.145
  915   2HG1  ILE 120          1HG1      ILE 120 114.069   5.227  10.181
  916   1HG2  ILE 120          1HG2      ILE 120 117.647   6.279   9.752
  917   2HG2  ILE 120          2HG2      ILE 120 117.649   4.929  10.887
  918   3HG2  ILE 120          3HG2      ILE 120 117.896   6.574  11.474
  919   1HD1  ILE 120          1HD1      ILE 120 116.350   6.118   8.493
  920   2HD1  ILE 120          2HD1      ILE 120 114.616   6.252   8.202
  921   3HD1  ILE 120          3HD1      ILE 120 115.442   4.721   7.916
  922    H    ALA 121           H        ALA 121 117.870   5.366  13.110
  923    HA   ALA 121           HA       ALA 121 118.084   2.544  12.849
  924   1HB   ALA 121          1HB       ALA 121 119.947   4.166  13.093
  925   2HB   ALA 121          2HB       ALA 121 120.072   2.868  14.283
  926   3HB   ALA 121          3HB       ALA 121 119.467   4.453  14.766
  927    H    ARG 122           H        ARG 122 117.239   4.529  15.702
  928    HA   ARG 122           HA       ARG 122 116.961   2.386  17.573
  929   1HB   ARG 122          2HB       ARG 122 115.695   5.128  17.306
  930   2HB   ARG 122          1HB       ARG 122 115.517   4.122  18.744
  931   1HG   ARG 122          2HG       ARG 122 117.905   4.119  19.121
  932   2HG   ARG 122          1HG       ARG 122 118.196   4.925  17.580
  933   1HD   ARG 122          2HD       ARG 122 118.301   6.719  19.104
  934   2HD   ARG 122          1HD       ARG 122 116.607   6.785  18.581
  935    HE   ARG 122           HE       ARG 122 116.008   6.153  20.770
  936   1HH1  ARG 122          1HH2      ARG 122 119.285   6.441  20.882
  937   2HH1  ARG 122          2HH2      ARG 122 119.562   5.202  22.061
  938   1HH2  ARG 122          2HH1      ARG 122 116.320   3.975  21.920
  939   2HH2  ARG 122          1HH1      ARG 122 117.882   3.804  22.649
  940    H    TYR 123           H        TYR 123 114.556   3.979  15.460
  941    HA   TYR 123           HA       TYR 123 112.288   2.432  16.296
  942   1HB   TYR 123          2HB       TYR 123 112.178   4.563  15.076
  943   2HB   TYR 123          1HB       TYR 123 112.976   3.829  13.687
  944    HD1  TYR 123           HD1      TYR 123 111.820   2.071  12.356
  945    HD2  TYR 123           HD2      TYR 123 109.840   4.195  15.522
  946    HE1  TYR 123           HE1      TYR 123 109.624   1.311  11.492
  947    HE2  TYR 123           HE2      TYR 123 107.643   3.434  14.659
  948    HH   TYR 123           HH       TYR 123 106.657   2.638  12.592
  949    H    LEU 124           H        LEU 124 114.748   1.927  13.777
  950    HA   LEU 124           HA       LEU 124 113.547  -0.294  12.448
  951   1HB   LEU 124          2HB       LEU 124 116.267   0.884  12.810
  952   2HB   LEU 124          1HB       LEU 124 116.178  -0.746  12.144
  953    HG   LEU 124           HG       LEU 124 114.606   1.607  11.060
  954   1HD1  LEU 124          1HD1      LEU 124 116.242   1.619   9.224
  955   2HD1  LEU 124          2HD1      LEU 124 117.150   0.328  10.009
  956   3HD1  LEU 124          3HD1      LEU 124 117.048   1.919  10.763
  957   1HD2  LEU 124          1HD2      LEU 124 113.458  -0.214  10.249
  958   2HD2  LEU 124          2HD2      LEU 124 114.838  -1.297  10.429
  959   3HD2  LEU 124          3HD2      LEU 124 114.757  -0.192   9.057
  960    H    HIS 125           H        HIS 125 116.158  -0.364  14.912
  961    HA   HIS 125           HA       HIS 125 116.225  -3.143  15.354
  962   1HB   HIS 125          2HB       HIS 125 117.191  -0.717  16.541
  963   2HB   HIS 125          1HB       HIS 125 116.606  -1.766  17.830
  964    HD1  HIS 125           HD1      HIS 125 119.671  -1.084  16.488
  965    HD2  HIS 125           HD2      HIS 125 117.579  -4.678  16.773
  966    HE1  HIS 125           HE1      HIS 125 121.394  -2.932  16.311
  967    H    ALA 126           H        ALA 126 113.829  -0.806  16.381
  968    HA   ALA 126           HA       ALA 126 112.622  -2.639  18.361
  969   1HB   ALA 126          1HB       ALA 126 111.040  -0.704  18.591
  970   2HB   ALA 126          2HB       ALA 126 111.895   0.101  17.276
  971   3HB   ALA 126          3HB       ALA 126 112.729  -0.238  18.793
  972    H    ALA 127           H        ALA 127 112.416  -2.099  14.982
  973    HA   ALA 127           HA       ALA 127 109.775  -3.519  14.907
  974   1HB   ALA 127          1HB       ALA 127 109.662  -1.091  14.345
  975   2HB   ALA 127          2HB       ALA 127 109.226  -2.112  12.976
  976   3HB   ALA 127          3HB       ALA 127 110.821  -1.363  13.044
  977    H    THR 128           H        THR 128 112.908  -4.097  14.442
  978    HA   THR 128           HA       THR 128 112.489  -5.579  11.867
  979    HB   THR 128           HB       THR 128 114.136  -3.702  11.833
  980    HG1  THR 128           HG1      THR 128 115.860  -5.000  11.025
  981   1HG2  THR 128          1HG2      THR 128 115.694  -3.426  13.441
  982   2HG2  THR 128          2HG2      THR 128 116.173  -5.121  13.371
  983   3HG2  THR 128          3HG2      THR 128 114.804  -4.632  14.368
  984    H    GLY 129           H        GLY 129 113.451  -5.779  15.224
  985   1HA   GLY 129          2HA       GLY 129 113.615  -7.727  16.555
  986   2HA   GLY 129          1HA       GLY 129 113.367  -8.699  15.103
  987    H    ASP 130           HN       ASP 130 115.647  -7.834  17.387
  988    HA   ASP 130           HA       ASP 130 118.073  -7.503  16.041
  989   1HB   ASP 130          2HB       ASP 130 117.593  -7.480  18.519
  990   2HB   ASP 130          1HB       ASP 130 117.580  -9.244  18.472
  Start of MODEL    2
    1   1H    GLY  -5          1H        GLY  -5  82.031   0.241 -20.469
    2   2H    GLY  -5          2H        GLY  -5  81.782   0.686 -18.848
    3   3H    GLY  -5          3H        GLY  -5  81.050  -0.716 -19.470
    4   1HA   GLY  -5          2HA       GLY  -5  82.914  -1.357 -18.129
    5   2HA   GLY  -5          1HA       GLY  -5  83.260  -1.696 -19.825
    6    H    SER  -4           H        SER  -4  84.109   0.255 -17.077
    7    HA   SER  -4           HA       SER  -4  85.997   1.621 -16.686
    8   1HB   SER  -4          2HB       SER  -4  86.851  -0.479 -18.084
    9   2HB   SER  -4          1HB       SER  -4  87.118   0.742 -19.325
   10    HG   SER  -4           HG       SER  -4  88.883   1.129 -18.255
   11    HA   PRO  -3           HA       PRO  -3  85.113   5.268 -18.992
   12   1HB   PRO  -3          2HB       PRO  -3  87.308   6.782 -18.380
   13   2HB   PRO  -3          1HB       PRO  -3  86.005   6.460 -17.218
   14   1HG   PRO  -3          2HG       PRO  -3  88.681   5.182 -17.462
   15   2HG   PRO  -3          1HG       PRO  -3  87.770   5.626 -16.010
   16   1HD   PRO  -3          2HD       PRO  -3  87.924   3.079 -16.973
   17   2HD   PRO  -3          1HD       PRO  -3  86.551   3.690 -16.026
   18    H    GLY  -2           H        GLY  -2  85.906   6.523 -20.864
   19   1HA   GLY  -2          2HA       GLY  -2  87.506   4.895 -22.687
   20   2HA   GLY  -2          1HA       GLY  -2  86.782   6.460 -23.061
   21    H    ILE  -1           H        ILE  -1  89.665   4.850 -22.116
   22    HA   ILE  -1           HA       ILE  -1  91.049   7.228 -21.117
   23    HB   ILE  -1           HB       ILE  -1  91.320   4.616 -20.701
   24   1HG1  ILE  -1          2HG1      ILE  -1  92.557   6.402 -19.530
   25   2HG1  ILE  -1          1HG1      ILE  -1  93.612   5.041 -19.907
   26   1HG2  ILE  -1          1HG2      ILE  -1  91.888   4.223 -23.134
   27   2HG2  ILE  -1          2HG2      ILE  -1  93.068   3.585 -21.988
   28   3HG2  ILE  -1          3HG2      ILE  -1  93.399   5.088 -22.850
   29   1HD1  ILE  -1          1HD1      ILE  -1  93.511   7.763 -21.185
   30   2HD1  ILE  -1          2HD1      ILE  -1  94.146   6.387 -22.088
   31   3HD1  ILE  -1          3HD1      ILE  -1  94.906   6.876 -20.574
   32    H    HIS   0           H        HIS   0  90.432   5.819 -24.231
   33    HA   HIS   0           HA       HIS   0  91.148   6.424 -26.398
   34   1HB   HIS   0          2HB       HIS   0  90.235   8.563 -25.526
   35   2HB   HIS   0          1HB       HIS   0  91.825   8.965 -24.878
   36    HD1  HIS   0           HD1      HIS   0  90.094   8.327 -28.197
   37    HD2  HIS   0           HD2      HIS   0  93.590  10.067 -26.739
   38    HE1  HIS   0           HE1      HIS   0  91.198   9.474 -30.166
   39    H    MET   1           H        MET   1  92.940   5.046 -26.703
   40    HA   MET   1           HA       MET   1  95.205   4.489 -27.032
   41   1HB   MET   1          2HB       MET   1  94.986   6.717 -28.196
   42   2HB   MET   1          1HB       MET   1  95.577   7.482 -26.721
   43   1HG   MET   1          2HG       MET   1  97.226   5.222 -27.665
   44   2HG   MET   1          1HG       MET   1  97.190   6.605 -28.758
   45   1HE   MET   1          1HE       MET   1  97.046   9.209 -27.179
   46   2HE   MET   1          2HE       MET   1  98.105   8.703 -28.493
   47   3HE   MET   1          3HE       MET   1  98.795   9.453 -27.056
   48    H    LEU   2           H        LEU   2  96.326   3.470 -25.444
   49    HA   LEU   2           HA       LEU   2  96.434   4.465 -22.707
   50   1HB   LEU   2          2HB       LEU   2  97.513   2.143 -24.290
   51   2HB   LEU   2          1HB       LEU   2  98.089   2.420 -22.646
   52    HG   LEU   2           HG       LEU   2  95.428   2.673 -22.237
   53   1HD1  LEU   2          1HD1      LEU   2  94.186   1.109 -23.568
   54   2HD1  LEU   2          2HD1      LEU   2  95.651   0.512 -24.346
   55   3HD1  LEU   2          3HD1      LEU   2  95.066   2.137 -24.699
   56   1HD2  LEU   2          1HD2      LEU   2  95.498   0.421 -21.340
   57   2HD2  LEU   2          2HD2      LEU   2  97.085   1.152 -21.097
   58   3HD2  LEU   2          3HD2      LEU   2  96.838  -0.008 -22.403
   59    H    GLY   3           H        GLY   3  98.580   4.781 -21.585
   60   1HA   GLY   3          2HA       GLY   3 100.173   6.766 -22.865
   61   2HA   GLY   3          1HA       GLY   3 100.634   5.903 -21.397
   62    H    GLY   4           H        GLY   4 100.390   3.275 -22.841
   63   1HA   GLY   4          2HA       GLY   4 101.622   2.369 -24.859
   64   2HA   GLY   4          1HA       GLY   4 102.925   3.475 -24.418
   65    H    SER   5           H        SER   5 104.507   1.927 -23.960
   66    HA   SER   5           HA       SER   5 103.856  -0.128 -21.886
   67   1HB   SER   5          2HB       SER   5 106.005  -1.128 -22.764
   68   2HB   SER   5          1HB       SER   5 104.739  -0.976 -23.976
   69    HG   SER   5           HG       SER   5 106.900  -0.196 -24.570
   70    H    SER   6           H        SER   6 104.233   2.596 -21.037
   71    HA   SER   6           HA       SER   6 106.910   3.203 -20.233
   72   1HB   SER   6          2HB       SER   6 104.197   3.910 -19.065
   73   2HB   SER   6          1HB       SER   6 105.705   4.694 -18.601
   74    HG   SER   6           HG       SER   6 105.951   5.169 -20.893
   75    H    ASP   7           H        ASP   7 104.481   2.567 -17.728
   76    HA   ASP   7           HA       ASP   7 104.623   1.311 -15.747
   77   1HB   ASP   7          2HB       ASP   7 104.517  -0.813 -16.499
   78   2HB   ASP   7          1HB       ASP   7 105.164  -0.272 -18.043
   79    H    ALA   8           H        ALA   8 107.060   3.110 -16.724
   80    HA   ALA   8           HA       ALA   8 108.972   2.071 -14.659
   81   1HB   ALA   8          1HB       ALA   8 109.631   3.649 -17.160
   82   2HB   ALA   8          2HB       ALA   8 109.625   1.885 -17.111
   83   3HB   ALA   8          3HB       ALA   8 110.757   2.793 -16.107
   84    H    GLY   9           H        GLY   9 107.193   4.800 -15.925
   85   1HA   GLY   9          2HA       GLY   9 108.618   6.972 -14.837
   86   2HA   GLY   9          1HA       GLY   9 106.868   6.949 -15.045
   87    H    LEU  10           H        LEU  10 106.590   4.589 -13.251
   88    HA   LEU  10           HA       LEU  10 106.022   5.885 -10.801
   89   1HB   LEU  10          2HB       LEU  10 105.103   3.726 -11.533
   90   2HB   LEU  10          1HB       LEU  10 106.701   2.990 -11.416
   91    HG   LEU  10           HG       LEU  10 106.735   3.541  -8.981
   92   1HD1  LEU  10          1HD1      LEU  10 103.855   4.349  -9.493
   93   2HD1  LEU  10          2HD1      LEU  10 105.169   5.451  -9.077
   94   3HD1  LEU  10          3HD1      LEU  10 104.630   4.242  -7.911
   95   1HD2  LEU  10          1HD2      LEU  10 104.179   2.055  -9.355
   96   2HD2  LEU  10          2HD2      LEU  10 105.618   1.603  -8.441
   97   3HD2  LEU  10          3HD2      LEU  10 105.595   1.421 -10.195
   98    H    ALA  11           H        ALA  11 108.809   3.746 -11.540
   99    HA   ALA  11           HA       ALA  11 110.164   4.189  -9.047
  100   1HB   ALA  11          1HB       ALA  11 111.641   2.704  -9.971
  101   2HB   ALA  11          2HB       ALA  11 111.753   3.610 -11.480
  102   3HB   ALA  11          3HB       ALA  11 110.389   2.528 -11.201
  103    H    THR  12           H        THR  12 110.792   5.569 -12.302
  104    HA   THR  12           HA       THR  12 112.880   7.342 -11.546
  105    HB   THR  12           HB       THR  12 112.316   8.453 -13.669
  106    HG1  THR  12           HG1      THR  12 109.925   6.965 -13.385
  107   1HG2  THR  12          1HG2      THR  12 113.253   6.016 -13.497
  108   2HG2  THR  12          2HG2      THR  12 112.706   6.616 -15.062
  109   3HG2  THR  12          3HG2      THR  12 111.667   5.553 -14.112
  110    H    ALA  13           H        ALA  13 109.351   7.953 -11.766
  111    HA   ALA  13           HA       ALA  13 109.402  10.695 -11.007
  112   1HB   ALA  13          1HB       ALA  13 107.496   9.351 -11.959
  113   2HB   ALA  13          2HB       ALA  13 107.038  10.328 -10.565
  114   3HB   ALA  13          3HB       ALA  13 107.305   8.595 -10.378
  115    H    ALA  14           H        ALA  14 109.363   7.729  -9.056
  116    HA   ALA  14           HA       ALA  14 109.036   9.084  -6.505
  117   1HB   ALA  14          1HB       ALA  14 109.693   6.349  -7.539
  118   2HB   ALA  14          2HB       ALA  14 108.382   6.854  -6.471
  119   3HB   ALA  14          3HB       ALA  14 110.022   6.695  -5.841
  120    H    ALA  15           H        ALA  15 111.780   8.083  -8.492
  121    HA   ALA  15           HA       ALA  15 113.814   8.486  -6.460
  122   1HB   ALA  15          1HB       ALA  15 114.216   8.688  -9.441
  123   2HB   ALA  15          2HB       ALA  15 113.792   7.143  -8.703
  124   3HB   ALA  15          3HB       ALA  15 115.280   7.966  -8.234
  125    H    ARG  16           H        ARG  16 112.195  10.550  -8.807
  126    HA   ARG  16           HA       ARG  16 114.097  12.779  -8.381
  127   1HB   ARG  16          2HB       ARG  16 111.529  12.490  -9.979
  128   2HB   ARG  16          1HB       ARG  16 112.628  13.867 -10.068
  129   1HG   ARG  16          2HG       ARG  16 114.436  12.411 -10.850
  130   2HG   ARG  16          1HG       ARG  16 113.388  10.999 -10.699
  131   1HD   ARG  16          2HD       ARG  16 111.803  12.132 -12.342
  132   2HD   ARG  16          1HD       ARG  16 113.092  13.317 -12.632
  133    HE   ARG  16           HE       ARG  16 113.495  10.372 -13.015
  134   1HH1  ARG  16          1HH2      ARG  16 112.824  12.691 -15.105
  135   2HH1  ARG  16          2HH2      ARG  16 114.368  12.795 -15.880
  136   1HH2  ARG  16          2HH1      ARG  16 116.003  10.925 -13.460
  137   2HH2  ARG  16          1HH1      ARG  16 116.169  11.793 -14.949
  138    H    GLY  17           H        GLY  17 111.837  11.557  -6.425
  139   1HA   GLY  17          2HA       GLY  17 110.518  12.449  -4.702
  140   2HA   GLY  17          1HA       GLY  17 111.420  13.949  -4.928
  141    H    GLN  18           H        GLN  18 109.019  12.088  -6.837
  142    HA   GLN  18           HA       GLN  18 107.513  14.658  -7.205
  143   1HB   GLN  18          2HB       GLN  18 108.033  12.390  -9.156
  144   2HB   GLN  18          1HB       GLN  18 107.036  13.805  -9.496
  145   1HG   GLN  18          2HG       GLN  18 109.957  13.938  -8.693
  146   2HG   GLN  18          1HG       GLN  18 109.381  14.021 -10.359
  147   1HE2  GLN  18          1HE2      GLN  18 110.728  16.150  -8.635
  148   2HE2  GLN  18          2HE2      GLN  18 109.670  17.476  -8.691
  149    H    VAL  19           H        VAL  19 106.202  13.875  -5.334
  150    HA   VAL  19           HA       VAL  19 104.785  11.402  -5.275
  151    HB   VAL  19           HB       VAL  19 104.227  14.177  -4.185
  152   1HG1  VAL  19          1HG1      VAL  19 102.116  12.873  -4.350
  153   2HG1  VAL  19          2HG1      VAL  19 102.601  13.128  -2.675
  154   3HG1  VAL  19          3HG1      VAL  19 102.872  11.563  -3.444
  155   1HG2  VAL  19          1HG2      VAL  19 105.165  11.666  -2.771
  156   2HG2  VAL  19          2HG2      VAL  19 105.170  13.317  -2.150
  157   3HG2  VAL  19          3HG2      VAL  19 106.275  12.860  -3.445
  158    H    GLU  20           H        GLU  20 103.702  14.617  -6.448
  159    HA   GLU  20           HA       GLU  20 101.119  13.966  -7.326
  160   1HB   GLU  20          2HB       GLU  20 102.598  16.162  -7.304
  161   2HB   GLU  20          1HB       GLU  20 102.923  15.709  -8.977
  162   1HG   GLU  20          2HG       GLU  20 100.085  15.653  -8.042
  163   2HG   GLU  20          1HG       GLU  20 100.825  17.225  -8.343
  164    H    THR  21           H        THR  21 104.128  13.812  -9.279
  165    HA   THR  21           HA       THR  21 102.937  12.710 -11.629
  166    HB   THR  21           HB       THR  21 105.737  12.298 -10.533
  167    HG1  THR  21           HG1      THR  21 104.561  14.455 -11.943
  168   1HG2  THR  21          1HG2      THR  21 105.768  11.060 -12.460
  169   2HG2  THR  21          2HG2      THR  21 106.018  12.648 -13.189
  170   3HG2  THR  21          3HG2      THR  21 104.406  11.931 -13.165
  171    H    VAL  22           H        VAL  22 104.448  11.127  -8.807
  172    HA   VAL  22           HA       VAL  22 104.186   8.430  -9.785
  173    HB   VAL  22           HB       VAL  22 104.352   9.591  -6.984
  174   1HG1  VAL  22          1HG1      VAL  22 104.202   6.836  -8.006
  175   2HG1  VAL  22          2HG1      VAL  22 103.961   7.444  -6.368
  176   3HG1  VAL  22          3HG1      VAL  22 105.592   7.126  -6.959
  177   1HG2  VAL  22          1HG2      VAL  22 106.623   8.359  -8.521
  178   2HG2  VAL  22          2HG2      VAL  22 106.679   9.532  -7.208
  179   3HG2  VAL  22          3HG2      VAL  22 106.179  10.038  -8.821
  180    H    ARG  23           H        ARG  23 102.080  10.508  -7.799
  181    HA   ARG  23           HA       ARG  23 100.129   8.467  -7.178
  182   1HB   ARG  23          2HB       ARG  23 100.668  11.206  -6.624
  183   2HB   ARG  23          1HB       ARG  23  99.032  11.134  -7.275
  184   1HG   ARG  23          2HG       ARG  23  98.573  10.702  -5.053
  185   2HG   ARG  23          1HG       ARG  23  98.852   9.055  -5.616
  186   1HD   ARG  23          2HD       ARG  23 101.175   9.137  -4.838
  187   2HD   ARG  23          1HD       ARG  23 100.971  10.832  -4.353
  188    HE   ARG  23           HE       ARG  23  99.837   8.497  -2.964
  189   1HH1  ARG  23          1HH2      ARG  23 100.962  11.515  -2.410
  190   2HH1  ARG  23          2HH2      ARG  23  99.645  12.065  -1.429
  191   1HH2  ARG  23          2HH1      ARG  23  97.609   9.360  -2.176
  192   2HH2  ARG  23          1HH1      ARG  23  97.748  10.844  -1.295
  193    H    GLN  24           H        GLN  24 100.561  10.704  -9.877
  194    HA   GLN  24           HA       GLN  24  97.911  10.208 -11.016
  195   1HB   GLN  24          2HB       GLN  24  99.450  12.279 -11.178
  196   2HB   GLN  24          1HB       GLN  24 100.337  11.363 -12.396
  197   1HG   GLN  24          2HG       GLN  24  97.345  11.713 -12.566
  198   2HG   GLN  24          1HG       GLN  24  98.451  12.915 -13.231
  199   1HE2  GLN  24          1HE2      GLN  24  96.580  10.816 -14.555
  200   2HE2  GLN  24          2HE2      GLN  24  97.593  10.029 -15.668
  201    H    LEU  25           H        LEU  25 101.258   9.335 -11.989
  202    HA   LEU  25           HA       LEU  25 100.549   7.724 -14.226
  203   1HB   LEU  25          2HB       LEU  25 102.840   8.578 -12.916
  204   2HB   LEU  25          1HB       LEU  25 102.888   6.830 -12.691
  205    HG   LEU  25           HG       LEU  25 102.509   8.228 -15.359
  206   1HD1  LEU  25          1HD1      LEU  25 104.830   8.154 -13.980
  207   2HD1  LEU  25          2HD1      LEU  25 104.762   8.034 -15.739
  208   3HD1  LEU  25          3HD1      LEU  25 104.907   6.575 -14.760
  209   1HD2  LEU  25          1HD2      LEU  25 103.385   5.477 -15.472
  210   2HD2  LEU  25          2HD2      LEU  25 101.938   6.202 -16.170
  211   3HD2  LEU  25          3HD2      LEU  25 101.906   5.587 -14.518
  212    H    LEU  26           H        LEU  26 101.555   6.542 -10.982
  213    HA   LEU  26           HA       LEU  26 100.900   3.827 -11.333
  214   1HB   LEU  26          2HB       LEU  26 101.913   5.381  -9.360
  215   2HB   LEU  26          1HB       LEU  26 100.305   5.076  -8.702
  216    HG   LEU  26           HG       LEU  26 102.125   2.887  -9.736
  217   1HD1  LEU  26          1HD1      LEU  26 101.613   3.185  -6.827
  218   2HD1  LEU  26          2HD1      LEU  26 102.701   4.372  -7.544
  219   3HD1  LEU  26          3HD1      LEU  26 103.070   2.653  -7.666
  220   1HD2  LEU  26          1HD2      LEU  26  99.413   3.051  -8.511
  221   2HD2  LEU  26          2HD2      LEU  26 100.441   1.722  -7.980
  222   3HD2  LEU  26          3HD2      LEU  26 100.046   1.901  -9.689
  223    H    GLU  27           H        GLU  27  98.786   6.474 -10.174
  224    HA   GLU  27           HA       GLU  27  96.470   4.717  -9.878
  225   1HB   GLU  27          2HB       GLU  27  97.078   6.901  -8.647
  226   2HB   GLU  27          1HB       GLU  27  96.500   7.732 -10.092
  227   1HG   GLU  27          2HG       GLU  27  94.432   6.048  -9.716
  228   2HG   GLU  27          1HG       GLU  27  94.970   6.208  -8.044
  229    H    ALA  28           H        ALA  28  98.017   5.799 -12.613
  230    HA   ALA  28           HA       ALA  28  95.495   6.233 -14.153
  231   1HB   ALA  28          1HB       ALA  28  97.244   6.996 -15.883
  232   2HB   ALA  28          2HB       ALA  28  98.423   6.853 -14.579
  233   3HB   ALA  28          3HB       ALA  28  97.082   7.989 -14.436
  234    H    GLY  29           H        GLY  29  98.302   4.107 -13.851
  235   1HA   GLY  29          2HA       GLY  29  97.111   1.863 -14.983
  236   2HA   GLY  29          1HA       GLY  29  97.907   2.702 -16.307
  237    H    ALA  30           H        ALA  30 100.047   3.703 -14.432
  238    HA   ALA  30           HA       ALA  30 102.095   1.873 -14.912
  239   1HB   ALA  30          1HB       ALA  30 102.714   3.040 -12.454
  240   2HB   ALA  30          2HB       ALA  30 101.555   4.157 -13.175
  241   3HB   ALA  30          3HB       ALA  30 103.032   3.741 -14.041
  242    H    ASP  31           H        ASP  31 102.739  -0.058 -14.012
  243    HA   ASP  31           HA       ASP  31 101.009  -1.307 -11.975
  244   1HB   ASP  31          2HB       ASP  31 101.764  -2.472 -14.033
  245   2HB   ASP  31          1HB       ASP  31 103.438  -2.287 -13.510
  246    HA   PRO  32           HA       PRO  32 103.814  -0.303  -8.695
  247   1HB   PRO  32          2HB       PRO  32 102.922  -2.097  -6.833
  248   2HB   PRO  32          1HB       PRO  32 102.036  -0.619  -7.249
  249   1HG   PRO  32          2HG       PRO  32 101.554  -3.421  -8.114
  250   2HG   PRO  32          1HG       PRO  32 100.393  -2.141  -7.728
  251   1HD   PRO  32          2HD       PRO  32 101.062  -2.883 -10.278
  252   2HD   PRO  32          1HD       PRO  32 100.458  -1.272  -9.837
  253    H    ASN  33           H        ASN  33 103.408  -3.606  -9.864
  254    HA   ASN  33           HA       ASN  33 105.932  -4.502  -8.594
  255   1HB   ASN  33          2HB       ASN  33 103.855  -5.838 -10.358
  256   2HB   ASN  33          1HB       ASN  33 105.222  -6.674  -9.621
  257   1HD2  ASN  33          1HD2      ASN  33 105.306  -5.663  -7.051
  258   2HD2  ASN  33          2HD2      ASN  33 103.847  -5.971  -6.238
  259    H    ALA  34           H        ALA  34 105.619  -2.492 -10.988
  260    HA   ALA  34           HA       ALA  34 106.957  -3.893 -13.196
  261   1HB   ALA  34          1HB       ALA  34 105.976  -1.119 -12.563
  262   2HB   ALA  34          2HB       ALA  34 105.480  -2.199 -13.868
  263   3HB   ALA  34          3HB       ALA  34 107.037  -1.372 -13.950
  264    H    LEU  35           H        LEU  35 109.158  -3.720 -13.709
  265    HA   LEU  35           HA       LEU  35 110.912  -2.583 -11.585
  266   1HB   LEU  35          2HB       LEU  35 111.093  -4.670 -13.729
  267   2HB   LEU  35          1HB       LEU  35 112.586  -3.925 -13.157
  268    HG   LEU  35           HG       LEU  35 110.508  -5.189 -11.349
  269   1HD1  LEU  35          1HD1      LEU  35 112.065  -6.599 -13.037
  270   2HD1  LEU  35          2HD1      LEU  35 111.673  -7.168 -11.415
  271   3HD1  LEU  35          3HD1      LEU  35 113.215  -6.370 -11.721
  272   1HD2  LEU  35          1HD2      LEU  35 112.803  -5.117  -9.931
  273   2HD2  LEU  35          2HD2      LEU  35 111.641  -3.790  -9.918
  274   3HD2  LEU  35          3HD2      LEU  35 113.062  -3.707 -10.958
  275    H    ASN  36           H        ASN  36 112.682  -1.177 -12.185
  276    HA   ASN  36           HA       ASN  36 112.133   0.411 -14.653
  277   1HB   ASN  36          2HB       ASN  36 113.479   2.124 -13.457
  278   2HB   ASN  36          1HB       ASN  36 112.137   1.552 -12.468
  279   1HD2  ASN  36          1HD2      ASN  36 114.099   2.640 -10.971
  280   2HD2  ASN  36          2HD2      ASN  36 115.072   1.461 -10.233
  281    H    ARG  37           H        ARG  37 113.588  -2.205 -14.651
  282    HA   ARG  37           HA       ARG  37 115.534  -3.134 -15.617
  283   1HB   ARG  37          2HB       ARG  37 114.607  -1.151 -17.182
  284   2HB   ARG  37          1HB       ARG  37 116.190  -0.473 -16.796
  285   1HG   ARG  37          2HG       ARG  37 117.292  -2.503 -17.594
  286   2HG   ARG  37          1HG       ARG  37 115.729  -3.260 -17.901
  287   1HD   ARG  37          2HD       ARG  37 115.503  -0.879 -19.293
  288   2HD   ARG  37          1HD       ARG  37 117.204  -1.318 -19.544
  289    HE   ARG  37           HE       ARG  37 116.466  -3.162 -20.819
  290   1HH1  ARG  37          1HH2      ARG  37 113.755  -1.423 -20.018
  291   2HH1  ARG  37          2HH2      ARG  37 112.652  -2.758 -20.046
  292   1HH2  ARG  37          2HH1      ARG  37 115.142  -5.157 -20.302
  293   2HH2  ARG  37          1HH1      ARG  37 113.436  -4.871 -20.207
  294    H    PHE  38           H        PHE  38 115.707  -1.546 -12.994
  295    HA   PHE  38           HA       PHE  38 118.657  -0.994 -13.092
  296   1HB   PHE  38          2HB       PHE  38 116.461   0.657 -12.424
  297   2HB   PHE  38          1HB       PHE  38 117.243   0.263 -10.894
  298    HD1  PHE  38           HD1      PHE  38 118.046   1.374 -14.382
  299    HD2  PHE  38           HD2      PHE  38 119.154   1.444 -10.233
  300    HE1  PHE  38           HE1      PHE  38 119.857   2.989 -14.893
  301    HE2  PHE  38           HE2      PHE  38 120.966   3.059 -10.743
  302    HZ   PHE  38           HZ       PHE  38 121.316   3.832 -13.074
  303    H    GLY  39           H        GLY  39 116.449  -3.219 -12.024
  304   1HA   GLY  39          2HA       GLY  39 116.445  -4.828 -10.327
  305   2HA   GLY  39          1HA       GLY  39 118.192  -4.611 -10.329
  306    H    ARG  40           H        ARG  40 116.073  -1.927  -9.620
  307    HA   ARG  40           HA       ARG  40 116.936  -2.073  -6.749
  308   1HB   ARG  40          2HB       ARG  40 117.337  -0.133  -8.807
  309   2HB   ARG  40          1HB       ARG  40 116.256   0.581  -7.610
  310   1HG   ARG  40          2HG       ARG  40 117.852  -0.054  -5.817
  311   2HG   ARG  40          1HG       ARG  40 118.946  -0.700  -7.041
  312   1HD   ARG  40          2HD       ARG  40 118.047   2.059  -7.588
  313   2HD   ARG  40          1HD       ARG  40 119.036   1.887  -6.125
  314    HE   ARG  40           HE       ARG  40 120.155   0.346  -8.295
  315   1HH1  ARG  40          1HH2      ARG  40 119.367   3.512  -8.615
  316   2HH1  ARG  40          2HH2      ARG  40 120.984   4.133  -8.648
  317   1HH2  ARG  40          2HH1      ARG  40 122.436   1.144  -7.657
  318   2HH2  ARG  40          1HH1      ARG  40 122.720   2.792  -8.106
  319    H    ARG  41           H        ARG  41 114.340  -2.872  -8.350
  320    HA   ARG  41           HA       ARG  41 112.011  -2.802  -7.947
  321   1HB   ARG  41          2HB       ARG  41 112.863  -1.781  -5.225
  322   2HB   ARG  41          1HB       ARG  41 111.472  -2.792  -5.611
  323   1HG   ARG  41          2HG       ARG  41 114.378  -3.623  -5.878
  324   2HG   ARG  41          1HG       ARG  41 113.275  -4.136  -4.602
  325   1HD   ARG  41          2HD       ARG  41 111.918  -5.376  -6.129
  326   2HD   ARG  41          1HD       ARG  41 112.681  -4.613  -7.537
  327    HE   ARG  41           HE       ARG  41 114.166  -6.424  -5.667
  328   1HH1  ARG  41          1HH2      ARG  41 112.868  -6.899  -8.554
  329   2HH1  ARG  41          2HH2      ARG  41 114.331  -7.027  -9.472
  330   1HH2  ARG  41          2HH1      ARG  41 116.345  -5.795  -6.934
  331   2HH2  ARG  41          1HH1      ARG  41 116.299  -6.402  -8.555
  332    HA   PRO  42           HA       PRO  42 110.644   1.371  -8.248
  333   1HB   PRO  42          2HB       PRO  42 108.103   1.278  -7.260
  334   2HB   PRO  42          1HB       PRO  42 108.570   0.521  -8.793
  335   1HG   PRO  42          2HG       PRO  42 107.953  -0.717  -6.203
  336   2HG   PRO  42          1HG       PRO  42 107.866  -1.397  -7.831
  337   1HD   PRO  42          2HD       PRO  42 109.901  -1.809  -5.900
  338   2HD   PRO  42          1HD       PRO  42 109.881  -2.373  -7.584
  339    H    ILE  43           H        ILE  43 111.274   0.152  -5.181
  340    HA   ILE  43           HA       ILE  43 110.519   2.733  -3.853
  341    HB   ILE  43           HB       ILE  43 111.048  -0.022  -2.695
  342   1HG1  ILE  43          2HG1      ILE  43 108.980   0.085  -4.055
  343   2HG1  ILE  43          1HG1      ILE  43 108.609  -0.092  -2.341
  344   1HG2  ILE  43          1HG2      ILE  43 109.932   1.050  -0.668
  345   2HG2  ILE  43          2HG2      ILE  43 110.144   2.601  -1.480
  346   3HG2  ILE  43          3HG2      ILE  43 111.553   1.639  -1.038
  347   1HD1  ILE  43          1HD1      ILE  43 108.434   2.411  -4.031
  348   2HD1  ILE  43          2HD1      ILE  43 108.419   2.462  -2.268
  349   3HD1  ILE  43          3HD1      ILE  43 107.143   1.612  -3.135
  350    H    GLN  44           H        GLN  44 113.111   0.276  -4.109
  351    HA   GLN  44           HA       GLN  44 115.025   1.511  -2.413
  352   1HB   GLN  44          2HB       GLN  44 114.845  -0.703  -4.053
  353   2HB   GLN  44          1HB       GLN  44 116.060   0.271  -4.880
  354   1HG   GLN  44          2HG       GLN  44 117.477   0.318  -2.971
  355   2HG   GLN  44          1HG       GLN  44 116.192  -0.256  -1.908
  356   1HE2  GLN  44          1HE2      GLN  44 118.986  -1.366  -3.110
  357   2HE2  GLN  44          2HE2      GLN  44 118.597  -2.995  -3.391
  358    H    VAL  45           H        VAL  45 114.345   2.033  -5.874
  359    HA   VAL  45           HA       VAL  45 116.455   4.013  -6.220
  360    HB   VAL  45           HB       VAL  45 115.560   2.566  -8.020
  361   1HG1  VAL  45          1HG1      VAL  45 113.017   4.101  -7.435
  362   2HG1  VAL  45          2HG1      VAL  45 113.251   2.354  -7.440
  363   3HG1  VAL  45          3HG1      VAL  45 113.279   3.251  -8.957
  364   1HG2  VAL  45          1HG2      VAL  45 115.456   4.254  -9.726
  365   2HG2  VAL  45          2HG2      VAL  45 116.523   4.877  -8.466
  366   3HG2  VAL  45          3HG2      VAL  45 114.863   5.459  -8.583
  367    H    MET  46           H        MET  46 113.344   4.090  -4.804
  368    HA   MET  46           HA       MET  46 112.244   6.584  -5.459
  369   1HB   MET  46          2HB       MET  46 111.475   4.686  -3.887
  370   2HB   MET  46          1HB       MET  46 112.450   5.478  -2.653
  371   1HG   MET  46          2HG       MET  46 110.969   7.559  -3.787
  372   2HG   MET  46          1HG       MET  46 109.827   6.219  -3.689
  373   1HE   MET  46          1HE       MET  46 109.350   4.902  -1.006
  374   2HE   MET  46          2HE       MET  46 110.800   5.037  -0.015
  375   3HE   MET  46          3HE       MET  46 110.934   4.530  -1.694
  376    H    MET  47           H        MET  47 112.545   8.708  -4.612
  377    HA   MET  47           HA       MET  47 115.222   9.558  -4.076
  378   1HB   MET  47          2HB       MET  47 113.079  10.779  -4.944
  379   2HB   MET  47          1HB       MET  47 112.742  11.052  -3.233
  380   1HG   MET  47          2HG       MET  47 115.493  11.674  -4.217
  381   2HG   MET  47          1HG       MET  47 114.195  12.783  -4.661
  382   1HE   MET  47          1HE       MET  47 113.778  14.676  -3.499
  383   2HE   MET  47          2HE       MET  47 113.455  14.820  -1.773
  384   3HE   MET  47          3HE       MET  47 112.447  13.770  -2.766
  385    H    MET  48           H        MET  48 112.836   8.171  -2.005
  386    HA   MET  48           HA       MET  48 112.776   7.800   0.320
  387   1HB   MET  48          2HB       MET  48 115.567   7.859  -0.597
  388   2HB   MET  48          1HB       MET  48 115.400   8.215   1.122
  389   1HG   MET  48          2HG       MET  48 115.552   5.870   1.085
  390   2HG   MET  48          1HG       MET  48 113.813   6.150   1.162
  391   1HE   MET  48          1HE       MET  48 114.245   3.719   0.717
  392   2HE   MET  48          2HE       MET  48 114.262   2.987  -0.886
  393   3HE   MET  48          3HE       MET  48 112.809   3.805  -0.314
  394    H    GLY  49           H        GLY  49 112.517  10.608  -0.807
  395   1HA   GLY  49          2HA       GLY  49 113.114  12.058   1.739
  396   2HA   GLY  49          1HA       GLY  49 113.373  12.820   0.169
  397    H    SER  50           H        SER  50 110.677  10.684   0.407
  398    HA   SER  50           HA       SER  50 108.743  12.786   1.136
  399   1HB   SER  50          2HB       SER  50 109.186  13.362  -1.159
  400   2HB   SER  50          1HB       SER  50 109.116  11.673  -1.656
  401    HG   SER  50           HG       SER  50 106.926  11.668  -1.223
  402    H    ALA  51           H        ALA  51 107.780  11.397   2.653
  403    HA   ALA  51           HA       ALA  51 107.327   8.607   2.394
  404   1HB   ALA  51          1HB       ALA  51 107.048  10.414   4.330
  405   2HB   ALA  51          2HB       ALA  51 106.129   8.908   4.367
  406   3HB   ALA  51          3HB       ALA  51 105.369  10.393   3.794
  407    H    GLN  52           H        GLN  52 105.578  11.348   1.077
  408    HA   GLN  52           HA       GLN  52 103.051  10.240   0.502
  409   1HB   GLN  52          2HB       GLN  52 104.823  12.367  -0.504
  410   2HB   GLN  52          1HB       GLN  52 103.594  11.819  -1.638
  411   1HG   GLN  52          2HG       GLN  52 102.656  13.632  -0.339
  412   2HG   GLN  52          1HG       GLN  52 101.874  12.131   0.158
  413   1HE2  GLN  52          1HE2      GLN  52 102.393  11.267   2.273
  414   2HE2  GLN  52          2HE2      GLN  52 103.228  12.184   3.430
  415    H    VAL  53           H        VAL  53 106.131   9.816  -1.185
  416    HA   VAL  53           HA       VAL  53 104.977   8.418  -3.467
  417    HB   VAL  53           HB       VAL  53 107.790   8.644  -2.348
  418   1HG1  VAL  53          1HG1      VAL  53 106.828   7.759  -5.086
  419   2HG1  VAL  53          2HG1      VAL  53 107.540   6.707  -3.863
  420   3HG1  VAL  53          3HG1      VAL  53 108.512   7.975  -4.609
  421   1HG2  VAL  53          1HG2      VAL  53 107.392  10.807  -2.988
  422   2HG2  VAL  53          2HG2      VAL  53 106.048  10.355  -4.035
  423   3HG2  VAL  53          3HG2      VAL  53 107.707  10.167  -4.600
  424    H    ALA  54           H        ALA  54 107.206   7.236  -0.902
  425    HA   ALA  54           HA       ALA  54 107.027   4.494  -1.332
  426   1HB   ALA  54          1HB       ALA  54 108.310   5.982   0.393
  427   2HB   ALA  54          2HB       ALA  54 107.901   4.328   0.847
  428   3HB   ALA  54          3HB       ALA  54 106.924   5.671   1.439
  429    H    GLU  55           H        GLU  55 104.586   6.591   0.100
  430    HA   GLU  55           HA       GLU  55 102.975   4.508   1.302
  431   1HB   GLU  55          2HB       GLU  55 103.091   7.167   1.505
  432   2HB   GLU  55          1HB       GLU  55 101.825   7.076   0.279
  433   1HG   GLU  55          2HG       GLU  55 100.545   5.532   1.745
  434   2HG   GLU  55          1HG       GLU  55 101.790   5.698   2.981
  435    H    LEU  56           H        LEU  56 102.471   6.429  -1.692
  436    HA   LEU  56           HA       LEU  56 100.223   5.082  -2.707
  437   1HB   LEU  56          2HB       LEU  56 101.171   7.135  -3.635
  438   2HB   LEU  56          1HB       LEU  56 102.631   6.273  -4.119
  439    HG   LEU  56           HG       LEU  56 101.028   4.748  -5.477
  440   1HD1  LEU  56          1HD1      LEU  56  99.274   7.204  -5.258
  441   2HD1  LEU  56          2HD1      LEU  56  98.989   5.734  -4.327
  442   3HD1  LEU  56          3HD1      LEU  56  98.907   5.693  -6.088
  443   1HD2  LEU  56          1HD2      LEU  56 100.907   6.572  -7.305
  444   2HD2  LEU  56          2HD2      LEU  56 102.503   6.151  -6.685
  445   3HD2  LEU  56          3HD2      LEU  56 101.699   7.618  -6.128
  446    H    LEU  57           H        LEU  57 103.635   4.388  -3.579
  447    HA   LEU  57           HA       LEU  57 103.227   2.122  -5.183
  448   1HB   LEU  57          2HB       LEU  57 105.410   2.916  -3.242
  449   2HB   LEU  57          1HB       LEU  57 105.565   1.527  -4.319
  450    HG   LEU  57           HG       LEU  57 104.712   3.458  -6.064
  451   1HD1  LEU  57          1HD1      LEU  57 106.486   5.327  -5.414
  452   2HD1  LEU  57          2HD1      LEU  57 106.144   4.759  -3.779
  453   3HD1  LEU  57          3HD1      LEU  57 104.840   5.386  -4.786
  454   1HD2  LEU  57          1HD2      LEU  57 107.639   3.394  -5.568
  455   2HD2  LEU  57          2HD2      LEU  57 106.740   3.071  -7.051
  456   3HD2  LEU  57          3HD2      LEU  57 106.864   1.828  -5.806
  457    H    LEU  58           H        LEU  58 103.915   2.102  -1.656
  458    HA   LEU  58           HA       LEU  58 103.576  -0.706  -1.287
  459   1HB   LEU  58          2HB       LEU  58 103.653   1.776   0.340
  460   2HB   LEU  58          1HB       LEU  58 102.911   0.376   1.115
  461    HG   LEU  58           HG       LEU  58 105.299  -0.472  -0.248
  462   1HD1  LEU  58          1HD1      LEU  58 106.884   0.828   1.295
  463   2HD1  LEU  58          2HD1      LEU  58 105.551   1.958   1.533
  464   3HD1  LEU  58          3HD1      LEU  58 106.224   1.716  -0.079
  465   1HD2  LEU  58          1HD2      LEU  58 104.774  -0.198   2.725
  466   2HD2  LEU  58          2HD2      LEU  58 105.849  -1.350   1.931
  467   3HD2  LEU  58          3HD2      LEU  58 104.101  -1.496   1.738
  468    H    LEU  59           H        LEU  59 101.241   1.919  -1.487
  469    HA   LEU  59           HA       LEU  59  98.997   0.513  -0.326
  470   1HB   LEU  59          2HB       LEU  59  99.201   2.975  -0.597
  471   2HB   LEU  59          1HB       LEU  59  99.130   2.775  -2.347
  472    HG   LEU  59           HG       LEU  59  96.903   1.545  -1.939
  473   1HD1  LEU  59          1HD1      LEU  59  95.747   2.159   0.144
  474   2HD1  LEU  59          2HD1      LEU  59  97.184   3.016   0.700
  475   3HD1  LEU  59          3HD1      LEU  59  97.224   1.264   0.502
  476   1HD2  LEU  59          1HD2      LEU  59  95.676   3.620  -2.009
  477   2HD2  LEU  59          2HD2      LEU  59  97.204   3.897  -2.842
  478   3HD2  LEU  59          3HD2      LEU  59  96.980   4.482  -1.194
  479    H    HIS  60           H        HIS  60 100.239   0.857  -3.644
  480    HA   HIS  60           HA       HIS  60  98.023  -0.695  -4.797
  481   1HB   HIS  60          2HB       HIS  60 100.485   0.744  -5.705
  482   2HB   HIS  60          1HB       HIS  60  99.794  -0.466  -6.786
  483    HD1  HIS  60           HD1      HIS  60  99.014   2.832  -5.146
  484    HD2  HIS  60           HD2      HIS  60  97.287   0.232  -7.909
  485    HE1  HIS  60           HE1      HIS  60  97.063   4.075  -6.176
  486    H    GLY  61           H        GLY  61 101.172  -1.344  -3.472
  487   1HA   GLY  61          2HA       GLY  61 101.733  -3.634  -2.848
  488   2HA   GLY  61          1HA       GLY  61 100.890  -4.161  -4.296
  489    H    ALA  62           H        ALA  62 103.446  -1.734  -3.697
  490    HA   ALA  62           HA       ALA  62 104.800  -2.221  -6.183
  491   1HB   ALA  62          1HB       ALA  62 106.096  -0.486  -5.429
  492   2HB   ALA  62          2HB       ALA  62 106.345  -1.235  -3.851
  493   3HB   ALA  62          3HB       ALA  62 104.852  -0.359  -4.186
  494    H    GLU  63           H        GLU  63 107.528  -2.450  -4.939
  495    HA   GLU  63           HA       GLU  63 107.447  -5.357  -4.201
  496   1HB   GLU  63          2HB       GLU  63 109.328  -3.808  -6.010
  497   2HB   GLU  63          1HB       GLU  63 109.590  -5.484  -5.526
  498   1HG   GLU  63          2HG       GLU  63 107.219  -5.929  -6.432
  499   2HG   GLU  63          1HG       GLU  63 107.356  -4.353  -7.212
  500    HA   PRO  64           HA       PRO  64 109.892  -2.941  -1.094
  501   1HB   PRO  64          2HB       PRO  64 108.355  -3.482   1.096
  502   2HB   PRO  64          1HB       PRO  64 108.042  -2.107   0.020
  503   1HG   PRO  64          2HG       PRO  64 106.607  -4.671   0.266
  504   2HG   PRO  64          1HG       PRO  64 106.017  -3.088  -0.252
  505   1HD   PRO  64          2HD       PRO  64 106.674  -5.256  -1.915
  506   2HD   PRO  64          1HD       PRO  64 106.358  -3.586  -2.426
  507    H    ASN  65           H        ASN  65 108.395  -6.128  -1.065
  508    HA   ASN  65           HA       ASN  65 110.183  -7.247   0.961
  509   1HB   ASN  65          2HB       ASN  65 108.279  -8.458  -1.070
  510   2HB   ASN  65          1HB       ASN  65 109.041  -9.353   0.246
  511   1HD2  ASN  65          1HD2      ASN  65 107.390  -9.702   1.758
  512   2HD2  ASN  65          2HD2      ASN  65 106.358  -8.492   2.352
  513    H    CYS  66           H        CYS  66 110.029  -7.163  -2.582
  514    HA   CYS  66           HA       CYS  66 112.033  -9.100  -3.155
  515   1HB   CYS  66          2HB       CYS  66 110.483  -7.095  -4.473
  516   2HB   CYS  66          1HB       CYS  66 112.143  -7.006  -5.044
  517    HG   CYS  66           HG       CYS  66 111.306  -9.880  -5.043
  518    H    ALA  67           H        ALA  67 114.228  -9.036  -2.854
  519    HA   ALA  67           HA       ALA  67 115.474  -6.374  -2.245
  520   1HB   ALA  67          1HB       ALA  67 115.220  -8.279  -0.481
  521   2HB   ALA  67          2HB       ALA  67 116.789  -7.487  -0.632
  522   3HB   ALA  67          3HB       ALA  67 116.523  -9.064  -1.374
  523    H    ASP  68           H        ASP  68 117.786  -6.223  -2.911
  524    HA   ASP  68           HA       ASP  68 118.197  -7.081  -5.634
  525   1HB   ASP  68          2HB       ASP  68 119.137  -5.129  -3.981
  526   2HB   ASP  68          1HB       ASP  68 120.505  -6.242  -3.971
  527    HA   PRO  69           HA       PRO  69 119.794 -11.098  -4.461
  528   1HB   PRO  69          2HB       PRO  69 120.323 -11.981  -6.994
  529   2HB   PRO  69          1HB       PRO  69 118.687 -11.951  -6.304
  530   1HG   PRO  69          2HG       PRO  69 119.974 -10.064  -8.207
  531   2HG   PRO  69          1HG       PRO  69 118.304 -10.647  -8.149
  532   1HD   PRO  69          2HD       PRO  69 119.096  -8.186  -7.251
  533   2HD   PRO  69          1HD       PRO  69 117.664  -9.050  -6.648
  534    H    ALA  70           H        ALA  70 121.410  -8.683  -6.416
  535    HA   ALA  70           HA       ALA  70 123.967  -9.925  -6.722
  536   1HB   ALA  70          1HB       ALA  70 123.859  -7.001  -6.289
  537   2HB   ALA  70          2HB       ALA  70 122.725  -7.612  -7.492
  538   3HB   ALA  70          3HB       ALA  70 124.454  -7.908  -7.680
  539    H    THR  71           H        THR  71 122.531  -8.100  -4.038
  540    HA   THR  71           HA       THR  71 124.796  -8.974  -2.312
  541    HB   THR  71           HB       THR  71 123.915  -6.148  -2.021
  542    HG1  THR  71           HG1      THR  71 125.593  -7.002  -4.141
  543   1HG2  THR  71          1HG2      THR  71 125.684  -6.534  -0.624
  544   2HG2  THR  71          2HG2      THR  71 126.617  -6.152  -2.072
  545   3HG2  THR  71          3HG2      THR  71 126.326  -7.834  -1.628
  546    H    LEU  72           H        LEU  72 121.783  -9.475  -2.617
  547    HA   LEU  72           HA       LEU  72 119.874  -9.649  -1.219
  548   1HB   LEU  72          2HB       LEU  72 122.111 -10.801  -0.167
  549   2HB   LEU  72          1HB       LEU  72 121.654  -9.722   1.149
  550    HG   LEU  72           HG       LEU  72 119.887 -11.814  -0.156
  551   1HD1  LEU  72          1HD1      LEU  72 121.802 -12.231   1.698
  552   2HD1  LEU  72          2HD1      LEU  72 120.283 -13.127   1.687
  553   3HD1  LEU  72          3HD1      LEU  72 120.482 -11.741   2.760
  554   1HD2  LEU  72          1HD2      LEU  72 118.453  -9.993   0.422
  555   2HD2  LEU  72          2HD2      LEU  72 119.337  -9.675   1.915
  556   3HD2  LEU  72          3HD2      LEU  72 118.335 -11.120   1.774
  557    H    THR  73           H        THR  73 120.285  -6.954  -1.781
  558    HA   THR  73           HA       THR  73 120.242  -5.522   0.832
  559    HB   THR  73           HB       THR  73 119.992  -3.708  -1.293
  560    HG1  THR  73           HG1      THR  73 121.740  -4.492  -2.642
  561   1HG2  THR  73          1HG2      THR  73 122.675  -3.805  -0.857
  562   2HG2  THR  73          2HG2      THR  73 122.082  -4.649   0.574
  563   3HG2  THR  73          3HG2      THR  73 121.535  -3.008   0.227
  564    H    ARG  74           H        ARG  74 118.343  -4.768   1.670
  565    HA   ARG  74           HA       ARG  74 115.858  -5.121   0.064
  566   1HB   ARG  74          2HB       ARG  74 116.521  -4.874   2.999
  567   2HB   ARG  74          1HB       ARG  74 114.860  -4.836   2.409
  568   1HG   ARG  74          2HG       ARG  74 115.791  -7.010   1.074
  569   2HG   ARG  74          1HG       ARG  74 116.760  -7.108   2.541
  570   1HD   ARG  74          2HD       ARG  74 114.900  -8.227   3.317
  571   2HD   ARG  74          1HD       ARG  74 114.316  -6.578   3.620
  572    HE   ARG  74           HE       ARG  74 113.842  -7.628   0.903
  573   1HH1  ARG  74          1HH2      ARG  74 112.312  -5.379   2.228
  574   2HH1  ARG  74          2HH2      ARG  74 110.810  -6.156   2.603
  575   1HH2  ARG  74          2HH1      ARG  74 112.061  -9.363   2.187
  576   2HH2  ARG  74          1HH1      ARG  74 110.668  -8.411   2.582
  577    HA   PRO  75           HA       PRO  75 115.130  -0.786  -0.263
  578   1HB   PRO  75          2HB       PRO  75 112.471  -0.550   0.351
  579   2HB   PRO  75          1HB       PRO  75 113.057  -1.242  -1.176
  580   1HG   PRO  75          2HG       PRO  75 112.104  -2.630   1.287
  581   2HG   PRO  75          1HG       PRO  75 111.794  -3.012  -0.415
  582   1HD   PRO  75          2HD       PRO  75 113.609  -4.356   1.070
  583   2HD   PRO  75          1HD       PRO  75 113.805  -4.099  -0.677
  584    H    VAL  76           H        VAL  76 114.710  -2.379   2.750
  585    HA   VAL  76           HA       VAL  76 113.875  -0.172   4.401
  586    HB   VAL  76           HB       VAL  76 115.546  -2.640   4.990
  587   1HG1  VAL  76          1HG1      VAL  76 115.709  -0.983   6.788
  588   2HG1  VAL  76          2HG1      VAL  76 114.695  -2.328   7.309
  589   3HG1  VAL  76          3HG1      VAL  76 113.954  -0.807   6.811
  590   1HG2  VAL  76          1HG2      VAL  76 113.509  -3.772   5.411
  591   2HG2  VAL  76          2HG2      VAL  76 113.189  -2.867   3.932
  592   3HG2  VAL  76          3HG2      VAL  76 112.590  -2.269   5.479
  593    H    HIS  77           H        HIS  77 116.973  -1.173   3.075
  594    HA   HIS  77           HA       HIS  77 118.681   0.366   4.812
  595   1HB   HIS  77          2HB       HIS  77 118.898  -0.749   2.006
  596   2HB   HIS  77          1HB       HIS  77 120.244   0.069   2.798
  597    HD1  HIS  77           HD1      HIS  77 117.991  -2.952   3.214
  598    HD2  HIS  77           HD2      HIS  77 121.610  -1.487   4.676
  599    HE1  HIS  77           HE1      HIS  77 119.021  -4.819   4.582
  600    H    ASP  78           H        ASP  78 117.506   1.022   1.490
  601    HA   ASP  78           HA       ASP  78 118.575   3.585   1.106
  602   1HB   ASP  78          2HB       ASP  78 115.929   2.361   0.276
  603   2HB   ASP  78          1HB       ASP  78 116.582   3.845  -0.420
  604    H    ALA  79           H        ALA  79 115.264   2.902   2.326
  605    HA   ALA  79           HA       ALA  79 114.660   5.610   3.024
  606   1HB   ALA  79          1HB       ALA  79 112.976   4.305   4.551
  607   2HB   ALA  79          2HB       ALA  79 113.649   2.875   3.769
  608   3HB   ALA  79          3HB       ALA  79 112.859   4.119   2.801
  609    H    ALA  80           H        ALA  80 116.701   3.287   4.581
  610    HA   ALA  80           HA       ALA  80 116.466   4.552   7.248
  611   1HB   ALA  80          1HB       ALA  80 118.096   2.270   6.090
  612   2HB   ALA  80          2HB       ALA  80 116.648   2.137   7.088
  613   3HB   ALA  80          3HB       ALA  80 118.147   2.747   7.788
  614    H    ARG  81           H        ARG  81 118.800   4.292   4.577
  615    HA   ARG  81           HA       ARG  81 120.965   5.652   5.929
  616   1HB   ARG  81          2HB       ARG  81 121.870   5.760   3.605
  617   2HB   ARG  81          1HB       ARG  81 121.265   4.153   4.012
  618   1HG   ARG  81          2HG       ARG  81 119.422   4.344   2.625
  619   2HG   ARG  81          1HG       ARG  81 119.373   6.100   2.750
  620   1HD   ARG  81          2HD       ARG  81 121.417   6.254   1.349
  621   2HD   ARG  81          1HD       ARG  81 121.424   4.486   1.191
  622    HE   ARG  81           HE       ARG  81 118.830   5.565   0.509
  623   1HH1  ARG  81          2HH1      ARG  81 121.389   3.834  -0.687
  624   2HH1  ARG  81          1HH1      ARG  81 121.255   4.388  -2.322
  625   1HH2  ARG  81          1HH2      ARG  81 118.932   6.852  -1.579
  626   2HH2  ARG  81          2HH2      ARG  81 119.864   6.096  -2.827
  627    H    GLU  82           H        GLU  82 118.064   6.780   4.381
  628    HA   GLU  82           HA       GLU  82 119.170   9.519   4.016
  629   1HB   GLU  82          2HB       GLU  82 117.355   7.868   2.658
  630   2HB   GLU  82          1HB       GLU  82 116.348   9.104   3.413
  631   1HG   GLU  82          2HG       GLU  82 116.989   9.999   1.294
  632   2HG   GLU  82          1HG       GLU  82 118.001  10.819   2.483
  633    H    GLY  83           H        GLY  83 118.130   7.944   6.638
  634   1HA   GLY  83          2HA       GLY  83 117.091   8.587   8.642
  635   2HA   GLY  83          1HA       GLY  83 117.448  10.242   8.147
  636    H    PHE  84           H        PHE  84 115.358   7.864   6.536
  637    HA   PHE  84           HA       PHE  84 113.108   9.827   6.779
  638   1HB   PHE  84          2HB       PHE  84 114.309   8.752   4.580
  639   2HB   PHE  84          1HB       PHE  84 113.017   7.582   4.841
  640    HD1  PHE  84           HD1      PHE  84 113.222  11.301   5.333
  641    HD2  PHE  84           HD2      PHE  84 111.257   8.017   3.384
  642    HE1  PHE  84           HE1      PHE  84 111.585  12.873   4.334
  643    HE2  PHE  84           HE2      PHE  84 109.621   9.588   2.386
  644    HZ   PHE  84           HZ       PHE  84 109.784  12.016   2.861
  645    H    LEU  85           H        LEU  85 112.130   9.101   8.717
  646    HA   LEU  85           HA       LEU  85 111.641   6.238   9.175
  647   1HB   LEU  85          2HB       LEU  85 111.976   8.503  10.722
  648   2HB   LEU  85          1HB       LEU  85 110.236   8.234  10.824
  649    HG   LEU  85           HG       LEU  85 112.344   6.121  11.366
  650   1HD1  LEU  85          1HD1      LEU  85 110.637   7.798  13.229
  651   2HD1  LEU  85          2HD1      LEU  85 112.397   7.806  13.113
  652   3HD1  LEU  85          3HD1      LEU  85 111.560   6.383  13.738
  653   1HD2  LEU  85          1HD2      LEU  85 110.132   5.309  10.511
  654   2HD2  LEU  85          2HD2      LEU  85 109.350   6.123  11.866
  655   3HD2  LEU  85          3HD2      LEU  85 110.464   4.788  12.163
  656    H    ASP  86           H        ASP  86 109.791   9.085   8.141
  657    HA   ASP  86           HA       ASP  86 107.155   8.163   8.387
  658   1HB   ASP  86          2HB       ASP  86 106.796   9.615   6.304
  659   2HB   ASP  86          1HB       ASP  86 107.590  10.395   7.668
  660    H    THR  87           H        THR  87 109.435   7.504   5.704
  661    HA   THR  87           HA       THR  87 107.531   5.821   4.267
  662    HB   THR  87           HB       THR  87 110.528   6.279   4.098
  663    HG1  THR  87           HG1      THR  87 108.986   7.999   3.607
  664   1HG2  THR  87          1HG2      THR  87 110.494   4.357   2.879
  665   2HG2  THR  87          2HG2      THR  87 109.777   5.380   1.634
  666   3HG2  THR  87          3HG2      THR  87 108.743   4.403   2.675
  667    H    LEU  88           H        LEU  88 110.099   5.337   6.642
  668    HA   LEU  88           HA       LEU  88 110.429   2.511   6.412
  669   1HB   LEU  88          2HB       LEU  88 111.634   4.423   7.790
  670   2HB   LEU  88          1HB       LEU  88 110.484   3.961   9.045
  671    HG   LEU  88           HG       LEU  88 111.246   1.547   8.645
  672   1HD1  LEU  88          1HD1      LEU  88 113.771   2.744   7.565
  673   2HD1  LEU  88          2HD1      LEU  88 112.441   2.446   6.447
  674   3HD1  LEU  88          3HD1      LEU  88 113.133   1.111   7.369
  675   1HD2  LEU  88          1HD2      LEU  88 113.600   3.117   9.588
  676   2HD2  LEU  88          2HD2      LEU  88 112.756   1.779  10.368
  677   3HD2  LEU  88          3HD2      LEU  88 112.069   3.402  10.416
  678    H    VAL  89           H        VAL  89 108.073   4.488   8.186
  679    HA   VAL  89           HA       VAL  89 106.812   2.317   9.613
  680    HB   VAL  89           HB       VAL  89 105.819   5.046   8.711
  681   1HG1  VAL  89          1HG1      VAL  89 104.348   4.710  10.812
  682   2HG1  VAL  89          2HG1      VAL  89 104.732   2.997  10.641
  683   3HG1  VAL  89          3HG1      VAL  89 103.884   3.845   9.348
  684   1HG2  VAL  89          1HG2      VAL  89 106.328   5.275  11.358
  685   2HG2  VAL  89          2HG2      VAL  89 107.531   5.635  10.120
  686   3HG2  VAL  89          3HG2      VAL  89 107.541   4.068  10.929
  687    H    VAL  90           H        VAL  90 106.082   3.988   6.543
  688    HA   VAL  90           HA       VAL  90 103.697   2.660   5.857
  689    HB   VAL  90           HB       VAL  90 105.981   3.650   4.120
  690   1HG1  VAL  90          1HG1      VAL  90 104.473   3.692   2.304
  691   2HG1  VAL  90          2HG1      VAL  90 103.066   3.509   3.352
  692   3HG1  VAL  90          3HG1      VAL  90 104.146   2.143   3.077
  693   1HG2  VAL  90          1HG2      VAL  90 104.576   5.114   5.920
  694   2HG2  VAL  90          2HG2      VAL  90 103.493   5.226   4.533
  695   3HG2  VAL  90          3HG2      VAL  90 105.163   5.775   4.395
  696    H    LEU  91           H        LEU  91 107.085   1.714   5.258
  697    HA   LEU  91           HA       LEU  91 106.593  -0.597   3.668
  698   1HB   LEU  91          2HB       LEU  91 108.756   0.402   5.496
  699   2HB   LEU  91          1HB       LEU  91 108.873  -1.239   4.856
  700    HG   LEU  91           HG       LEU  91 108.174   0.881   2.896
  701   1HD1  LEU  91          1HD1      LEU  91 111.032   0.566   3.836
  702   2HD1  LEU  91          2HD1      LEU  91 109.981   1.855   4.422
  703   3HD1  LEU  91          3HD1      LEU  91 110.388   1.759   2.708
  704   1HD2  LEU  91          1HD2      LEU  91 110.151  -1.423   2.886
  705   2HD2  LEU  91          2HD2      LEU  91 109.661  -0.473   1.483
  706   3HD2  LEU  91          3HD2      LEU  91 108.491  -1.510   2.296
  707    H    HIS  92           H        HIS  92 107.126  -0.363   7.211
  708    HA   HIS  92           HA       HIS  92 106.487  -3.153   7.693
  709   1HB   HIS  92          2HB       HIS  92 107.742  -1.156   9.041
  710   2HB   HIS  92          1HB       HIS  92 106.169  -1.113   9.835
  711    HD1  HIS  92           HD1      HIS  92 107.353  -2.099  12.002
  712    HD2  HIS  92           HD2      HIS  92 107.350  -4.638   8.695
  713    HE1  HIS  92           HE1      HIS  92 107.953  -4.402  12.867
  714    H    ARG  93           H        ARG  93 104.651  -0.156   7.573
  715    HA   ARG  93           HA       ARG  93 102.264  -1.085   8.895
  716   1HB   ARG  93          2HB       ARG  93 102.940   1.285   8.459
  717   2HB   ARG  93          1HB       ARG  93 102.657   1.020   6.740
  718   1HG   ARG  93          2HG       ARG  93 100.336   0.786   7.029
  719   2HG   ARG  93          1HG       ARG  93 100.493   0.435   8.750
  720   1HD   ARG  93          2HD       ARG  93  99.641   2.745   8.366
  721   2HD   ARG  93          1HD       ARG  93 101.231   2.774   9.154
  722    HE   ARG  93           HE       ARG  93 101.632   2.740   6.330
  723   1HH1  ARG  93          1HH2      ARG  93 101.798   4.711   9.002
  724   2HH1  ARG  93          2HH2      ARG  93 101.589   6.205   8.152
  725   1HH2  ARG  93          2HH1      ARG  93 100.765   4.685   5.145
  726   2HH2  ARG  93          1HH1      ARG  93 101.005   6.191   5.966
  727    H    ALA  94           H        ALA  94 102.919  -0.593   5.402
  728    HA   ALA  94           HA       ALA  94 100.580  -2.011   4.541
  729   1HB   ALA  94          1HB       ALA  94 102.277  -1.976   2.400
  730   2HB   ALA  94          2HB       ALA  94 102.977  -0.709   3.408
  731   3HB   ALA  94          3HB       ALA  94 101.294  -0.599   2.895
  732    H    GLY  95           H        GLY  95 104.034  -2.876   4.122
  733   1HA   GLY  95          2HA       GLY  95 103.953  -5.479   5.158
  734   2HA   GLY  95          1HA       GLY  95 103.449  -5.625   3.474
  735    H    ALA  96           H        ALA  96 106.134  -5.341   5.564
  736    HA   ALA  96           HA       ALA  96 108.012  -5.668   3.356
  737   1HB   ALA  96          1HB       ALA  96 107.311  -3.179   3.485
  738   2HB   ALA  96          2HB       ALA  96 109.040  -3.529   3.450
  739   3HB   ALA  96          3HB       ALA  96 108.251  -3.128   4.976
  740    H    ARG  97           H        ARG  97 109.764  -6.778   4.159
  741    HA   ARG  97           HA       ARG  97 109.918  -7.564   6.918
  742   1HB   ARG  97          2HB       ARG  97 110.764  -8.941   5.109
  743   2HB   ARG  97          1HB       ARG  97 111.860  -7.661   4.588
  744   1HG   ARG  97          2HG       ARG  97 113.244  -7.912   6.496
  745   2HG   ARG  97          1HG       ARG  97 112.018  -8.832   7.367
  746   1HD   ARG  97          2HD       ARG  97 113.115 -10.687   6.635
  747   2HD   ARG  97          1HD       ARG  97 112.444 -10.322   5.036
  748    HE   ARG  97           HE       ARG  97 114.608  -8.667   5.141
  749   1HH1  ARG  97          1HH2      ARG  97 115.152 -11.166   7.113
  750   2HH1  ARG  97          2HH2      ARG  97 116.301 -12.007   6.127
  751   1HH2  ARG  97          2HH1      ARG  97 115.661 -10.108   3.296
  752   2HH2  ARG  97          1HH1      ARG  97 116.589 -11.409   3.965
  753    H    LEU  98           H        LEU  98 111.809  -7.113   8.350
  754    HA   LEU  98           HA       LEU  98 113.240  -4.557   7.852
  755   1HB   LEU  98          2HB       LEU  98 110.857  -4.574   9.182
  756   2HB   LEU  98          1HB       LEU  98 111.977  -4.829  10.521
  757    HG   LEU  98           HG       LEU  98 113.318  -2.862   9.404
  758   1HD1  LEU  98          1HD1      LEU  98 110.512  -2.516   8.312
  759   2HD1  LEU  98          2HD1      LEU  98 112.006  -2.649   7.384
  760   3HD1  LEU  98          3HD1      LEU  98 111.705  -1.218   8.371
  761   1HD2  LEU  98          1HD2      LEU  98 111.469  -1.289  10.587
  762   2HD2  LEU  98          2HD2      LEU  98 112.582  -2.301  11.508
  763   3HD2  LEU  98          3HD2      LEU  98 110.939  -2.858  11.194
  764    H    ASP  99           H        ASP  99 114.387  -7.091   7.855
  765    HA   ASP  99           HA       ASP  99 116.225  -6.902  10.148
  766   1HB   ASP  99          2HB       ASP  99 114.193  -8.181  10.919
  767   2HB   ASP  99          1HB       ASP  99 114.540  -9.383   9.676
  768    H    VAL 100           H        VAL 100 116.826  -6.531   7.479
  769    HA   VAL 100           HA       VAL 100 118.224  -9.076   6.709
  770    HB   VAL 100           HB       VAL 100 116.337  -8.385   5.233
  771   1HG1  VAL 100          1HG1      VAL 100 117.342  -5.813   5.726
  772   2HG1  VAL 100          2HG1      VAL 100 115.999  -6.246   4.672
  773   3HG1  VAL 100          3HG1      VAL 100 117.630  -6.115   4.014
  774   1HG2  VAL 100          1HG2      VAL 100 118.663  -9.363   4.449
  775   2HG2  VAL 100          2HG2      VAL 100 118.818  -7.785   3.677
  776   3HG2  VAL 100          3HG2      VAL 100 117.468  -8.841   3.262
  777    H    CYS 101           H        CYS 101 120.234  -8.589   5.348
  778    HA   CYS 101           HA       CYS 101 121.514  -5.992   6.118
  779   1HB   CYS 101          2HB       CYS 101 123.207  -8.442   5.977
  780   2HB   CYS 101          1HB       CYS 101 123.306  -7.076   7.081
  781    HG   CYS 101           HG       CYS 101 121.697  -9.642   7.568
  782    H    ASP 102           H        ASP 102 123.476  -5.578   4.680
  783    HA   ASP 102           HA       ASP 102 122.764  -5.934   1.898
  784   1HB   ASP 102          2HB       ASP 102 124.208  -4.155   3.298
  785   2HB   ASP 102          1HB       ASP 102 125.529  -5.196   2.766
  786    H    ALA 103           H        ALA 103 122.652  -8.413   2.188
  787    HA   ALA 103           HA       ALA 103 123.530 -10.525   1.626
  788   1HB   ALA 103          1HB       ALA 103 126.029  -9.951   0.530
  789   2HB   ALA 103          2HB       ALA 103 125.105  -8.478   0.244
  790   3HB   ALA 103          3HB       ALA 103 124.510 -10.024  -0.360
  791    H    TRP 104           H        TRP 104 126.647  -8.934   2.205
  792    HA   TRP 104           HA       TRP 104 126.934 -10.480   4.754
  793   1HB   TRP 104          2HB       TRP 104 129.266 -10.992   3.972
  794   2HB   TRP 104          1HB       TRP 104 128.032 -11.692   2.926
  795    HD1  TRP 104           HD1      TRP 104 130.240  -8.520   3.103
  796    HE1  TRP 104           HE1      TRP 104 130.771  -7.775   0.694
  797    HE3  TRP 104           HE3      TRP 104 127.506 -11.956   0.493
  798    HZ2  TRP 104           HZ2      TRP 104 130.122  -8.535  -1.986
  799    HZ3  TRP 104           HZ3      TRP 104 127.482 -11.922  -1.985
  800    HH2  TRP 104           HH2      TRP 104 128.786 -10.218  -3.227
  801    H    GLY 105           H        GLY 105 126.388  -7.571   4.037
  802   1HA   GLY 105          2HA       GLY 105 128.865  -6.366   5.184
  803   2HA   GLY 105          1HA       GLY 105 127.728  -5.489   4.166
  804    H    ARG 106           H        ARG 106 127.061  -3.897   5.564
  805    HA   ARG 106           HA       ARG 106 126.412  -4.466   8.366
  806   1HB   ARG 106          2HB       ARG 106 127.258  -2.305   6.871
  807   2HB   ARG 106          1HB       ARG 106 125.565  -1.914   7.171
  808   1HG   ARG 106          2HG       ARG 106 125.916  -2.291   9.592
  809   2HG   ARG 106          1HG       ARG 106 127.616  -2.648   9.282
  810   1HD   ARG 106          2HD       ARG 106 127.270  -0.221   7.987
  811   2HD   ARG 106          1HD       ARG 106 126.270  -0.042   9.442
  812    HE   ARG 106           HE       ARG 106 129.190  -0.526   9.406
  813   1HH1  ARG 106          2HH1      ARG 106 127.514   1.546  10.991
  814   2HH1  ARG 106          1HH1      ARG 106 127.683   0.914  12.595
  815   1HH2  ARG 106          1HH2      ARG 106 128.858  -2.173  11.538
  816   2HH2  ARG 106          2HH2      ARG 106 128.446  -1.192  12.905
  817    H    LEU 107           H        LEU 107 124.199  -3.006   8.891
  818    HA   LEU 107           HA       LEU 107 122.010  -4.359   7.342
  819   1HB   LEU 107          2HB       LEU 107 122.705  -4.071  10.194
  820   2HB   LEU 107          1HB       LEU 107 121.013  -3.735   9.839
  821    HG   LEU 107           HG       LEU 107 121.382  -5.980   8.351
  822   1HD1  LEU 107          1HD1      LEU 107 123.340  -6.013  10.638
  823   2HD1  LEU 107          2HD1      LEU 107 123.573  -6.550   8.974
  824   3HD1  LEU 107          3HD1      LEU 107 122.598  -7.514  10.085
  825   1HD2  LEU 107          1HD2      LEU 107 120.616  -5.683  11.267
  826   2HD2  LEU 107          2HD2      LEU 107 120.396  -7.186  10.371
  827   3HD2  LEU 107          3HD2      LEU 107 119.539  -5.727   9.872
  828    HA   PRO 108           HA       PRO 108 120.113  -0.432   6.735
  829   1HB   PRO 108          2HB       PRO 108 117.526  -0.725   7.579
  830   2HB   PRO 108          1HB       PRO 108 118.146  -1.470   6.093
  831   1HG   PRO 108          2HG       PRO 108 117.710  -2.684   8.777
  832   2HG   PRO 108          1HG       PRO 108 117.407  -3.362   7.170
  833   1HD   PRO 108          2HD       PRO 108 119.579  -4.007   8.666
  834   2HD   PRO 108          1HD       PRO 108 119.585  -4.017   6.890
  835    H    VAL 109           H        VAL 109 119.773  -1.794   9.958
  836    HA   VAL 109           HA       VAL 109 118.987   0.707  11.243
  837    HB   VAL 109           HB       VAL 109 118.432  -1.599  12.035
  838   1HG1  VAL 109          1HG1      VAL 109 120.096  -3.032  12.964
  839   2HG1  VAL 109          2HG1      VAL 109 121.317  -1.760  12.927
  840   3HG1  VAL 109          3HG1      VAL 109 120.759  -2.489  11.422
  841   1HG2  VAL 109          1HG2      VAL 109 118.363   0.258  13.623
  842   2HG2  VAL 109          2HG2      VAL 109 120.095   0.100  13.919
  843   3HG2  VAL 109          3HG2      VAL 109 118.994  -1.180  14.428
  844    H    ASP 110           H        ASP 110 122.025  -1.085  10.778
  845    HA   ASP 110           HA       ASP 110 123.668   0.559  12.472
  846   1HB   ASP 110          2HB       ASP 110 124.297  -1.110  10.014
  847   2HB   ASP 110          1HB       ASP 110 125.492  -0.535  11.177
  848    H    LEU 111           H        LEU 111 122.938   0.683   8.977
  849    HA   LEU 111           HA       LEU 111 124.683   2.817   8.266
  850   1HB   LEU 111          2HB       LEU 111 123.005   1.157   6.979
  851   2HB   LEU 111          1HB       LEU 111 121.979   2.591   7.022
  852    HG   LEU 111           HG       LEU 111 124.848   2.632   6.054
  853   1HD1  LEU 111          1HD1      LEU 111 122.253   2.172   4.582
  854   2HD1  LEU 111          2HD1      LEU 111 123.753   1.249   4.476
  855   3HD1  LEU 111          3HD1      LEU 111 123.658   2.862   3.771
  856   1HD2  LEU 111          1HD2      LEU 111 122.625   4.591   6.336
  857   2HD2  LEU 111          2HD2      LEU 111 123.587   4.705   4.863
  858   3HD2  LEU 111          3HD2      LEU 111 124.367   4.845   6.439
  859    H    ALA 112           H        ALA 112 121.410   2.840   9.641
  860    HA   ALA 112           HA       ALA 112 120.833   5.619   9.344
  861   1HB   ALA 112          1HB       ALA 112 120.000   3.361  11.138
  862   2HB   ALA 112          2HB       ALA 112 119.035   4.277   9.979
  863   3HB   ALA 112          3HB       ALA 112 119.463   4.995  11.534
  864    H    GLU 113           H        GLU 113 121.975   3.932  12.299
  865    HA   GLU 113           HA       GLU 113 122.541   6.166  13.879
  866   1HB   GLU 113          2HB       GLU 113 123.912   3.475  13.631
  867   2HB   GLU 113          1HB       GLU 113 124.170   4.582  14.980
  868   1HG   GLU 113          2HG       GLU 113 121.746   4.525  15.480
  869   2HG   GLU 113          1HG       GLU 113 121.507   3.390  14.151
  870    H    GLU 114           H        GLU 114 124.368   4.861  11.178
  871    HA   GLU 114           HA       GLU 114 126.897   6.111  11.685
  872   1HB   GLU 114          2HB       GLU 114 125.990   4.318   9.940
  873   2HB   GLU 114          1HB       GLU 114 125.800   5.744   8.918
  874   1HG   GLU 114          2HG       GLU 114 128.382   5.238  10.388
  875   2HG   GLU 114          1HG       GLU 114 128.066   4.472   8.831
  876    H    GLN 115           H        GLN 115 124.025   7.213   9.867
  877    HA   GLN 115           HA       GLN 115 125.253   9.788   9.185
  878   1HB   GLN 115          2HB       GLN 115 123.192   8.175   8.251
  879   2HB   GLN 115          1HB       GLN 115 122.337   9.528   8.992
  880   1HG   GLN 115          2HG       GLN 115 124.595   9.822   6.991
  881   2HG   GLN 115          1HG       GLN 115 122.883   9.927   6.583
  882   1HE2  GLN 115          1HE2      GLN 115 121.683  11.811   7.344
  883   2HE2  GLN 115          2HE2      GLN 115 122.480  13.184   7.947
  884    H    GLY 116           H        GLY 116 123.026   8.548  11.643
  885   1HA   GLY 116          2HA       GLY 116 123.102   9.783  13.833
  886   2HA   GLY 116          1HA       GLY 116 123.027  11.271  12.889
  887    H    HIS 117           H        HIS 117 121.128   8.446  12.033
  888    HA   HIS 117           HA       HIS 117 118.650  10.027  12.405
  889   1HB   HIS 117          2HB       HIS 117 119.220   7.284  11.232
  890   2HB   HIS 117          1HB       HIS 117 117.681   8.140  11.122
  891    HD1  HIS 117           HD1      HIS 117 119.771   7.379   8.721
  892    HD2  HIS 117           HD2      HIS 117 119.082  11.137  10.388
  893    HE1  HIS 117           HE1      HIS 117 120.495   9.076   6.986
  894    H    ARG 118           H        ARG 118 119.070   9.856  14.863
  895    HA   ARG 118           HA       ARG 118 118.917   7.422  16.316
  896   1HB   ARG 118          2HB       ARG 118 119.512   9.668  17.198
  897   2HB   ARG 118          1HB       ARG 118 117.838  10.180  16.991
  898   1HG   ARG 118          2HG       ARG 118 117.156   8.281  18.508
  899   2HG   ARG 118          1HG       ARG 118 118.869   8.008  18.834
  900   1HD   ARG 118          2HD       ARG 118 118.260   9.446  20.597
  901   2HD   ARG 118          1HD       ARG 118 118.868  10.597  19.389
  902    HE   ARG 118           HE       ARG 118 115.977   9.903  19.322
  903   1HH1  ARG 118          2HH1      ARG 118 117.842  11.893  21.203
  904   2HH1  ARG 118          1HH1      ARG 118 117.129  13.383  20.683
  905   1HH2  ARG 118          1HH2      ARG 118 115.341  11.930  18.091
  906   2HH2  ARG 118          2HH2      ARG 118 115.713  13.404  18.921
  907    H    ASP 119           H        ASP 119 116.405   9.324  14.744
  908    HA   ASP 119           HA       ASP 119 114.168   8.044  16.092
  909   1HB   ASP 119          2HB       ASP 119 112.885   9.234  14.327
  910   2HB   ASP 119          1HB       ASP 119 114.078  10.290  15.080
  911    H    ILE 120           H        ILE 120 115.821   7.562  12.961
  912    HA   ILE 120           HA       ILE 120 114.027   5.392  12.166
  913    HB   ILE 120           HB       ILE 120 115.556   7.158  10.846
  914   1HG1  ILE 120          2HG1      ILE 120 115.419   4.439   9.605
  915   2HG1  ILE 120          1HG1      ILE 120 113.910   5.204  10.105
  916   1HG2  ILE 120          1HG2      ILE 120 117.602   6.194  10.022
  917   2HG2  ILE 120          2HG2      ILE 120 117.272   4.662  10.831
  918   3HG2  ILE 120          3HG2      ILE 120 117.655   6.096  11.782
  919   1HD1  ILE 120          1HD1      ILE 120 115.986   6.364   8.223
  920   2HD1  ILE 120          2HD1      ILE 120 114.573   7.241   8.810
  921   3HD1  ILE 120          3HD1      ILE 120 114.365   5.815   7.793
  922    H    ALA 121           H        ALA 121 117.216   5.681  13.672
  923    HA   ALA 121           HA       ALA 121 118.005   2.927  13.472
  924   1HB   ALA 121          1HB       ALA 121 119.563   3.597  15.290
  925   2HB   ALA 121          2HB       ALA 121 118.634   5.077  15.524
  926   3HB   ALA 121          3HB       ALA 121 119.504   4.812  14.014
  927    H    ARG 122           H        ARG 122 115.890   4.672  15.677
  928    HA   ARG 122           HA       ARG 122 115.765   2.609  17.719
  929   1HB   ARG 122          2HB       ARG 122 114.846   5.263  17.242
  930   2HB   ARG 122          1HB       ARG 122 113.421   4.281  17.583
  931   1HG   ARG 122          2HG       ARG 122 114.435   3.464  19.651
  932   2HG   ARG 122          1HG       ARG 122 115.919   4.350  19.300
  933   1HD   ARG 122          2HD       ARG 122 114.042   6.349  19.104
  934   2HD   ARG 122          1HD       ARG 122 113.372   5.346  20.406
  935    HE   ARG 122           HE       ARG 122 116.150   5.557  20.887
  936   1HH1  ARG 122          1HH2      ARG 122 113.420   6.614  22.254
  937   2HH1  ARG 122          2HH2      ARG 122 113.972   8.196  22.700
  938   1HH2  ARG 122          2HH1      ARG 122 116.856   8.016  20.781
  939   2HH2  ARG 122          1HH1      ARG 122 115.919   8.988  21.866
  940    H    TYR 123           H        TYR 123 113.468   3.643  15.164
  941    HA   TYR 123           HA       TYR 123 111.577   1.534  15.555
  942   1HB   TYR 123          2HB       TYR 123 111.549   3.776  14.191
  943   2HB   TYR 123          1HB       TYR 123 112.194   2.782  12.883
  944    HD1  TYR 123           HD1      TYR 123 108.240   2.736  12.585
  945    HD2  TYR 123           HD2      TYR 123 109.185   3.439  15.194
  946    HE1  TYR 123           HE1      TYR 123 108.145   1.669  15.235
  947    HE2  TYR 123           HE2      TYR 123 108.216   2.704  12.605
  948    HH   TYR 123           HH       TYR 123 109.398  -0.592  13.320
  949    H    LEU 124           H        LEU 124 114.600   1.688  13.748
  950    HA   LEU 124           HA       LEU 124 114.196  -0.714  12.187
  951   1HB   LEU 124          2HB       LEU 124 116.530   1.014  13.009
  952   2HB   LEU 124          1HB       LEU 124 116.783  -0.456  12.067
  953    HG   LEU 124           HG       LEU 124 114.897   1.780  11.268
  954   1HD1  LEU 124          1HD1      LEU 124 117.477   2.204  11.281
  955   2HD1  LEU 124          2HD1      LEU 124 116.556   2.605   9.831
  956   3HD1  LEU 124          3HD1      LEU 124 117.491   1.111   9.897
  957   1HD2  LEU 124          1HD2      LEU 124 114.136  -0.201  10.236
  958   2HD2  LEU 124          2HD2      LEU 124 115.771  -0.826  10.026
  959   3HD2  LEU 124          3HD2      LEU 124 115.200   0.506   9.020
  960    H    HIS 125           H        HIS 125 116.670  -0.264  14.742
  961    HA   HIS 125           HA       HIS 125 117.102  -2.995  15.263
  962   1HB   HIS 125          2HB       HIS 125 118.476  -2.161  16.907
  963   2HB   HIS 125          1HB       HIS 125 118.129  -0.636  16.099
  964    HD1  HIS 125           HD1      HIS 125 117.020   1.142  17.478
  965    HD2  HIS 125           HD2      HIS 125 116.708  -2.618  19.251
  966    HE1  HIS 125           HE1      HIS 125 115.992   1.511  19.763
  967    H    ALA 126           H        ALA 126 114.501  -0.908  16.377
  968    HA   ALA 126           HA       ALA 126 113.531  -2.522  18.542
  969   1HB   ALA 126          1HB       ALA 126 112.817  -0.235  18.227
  970   2HB   ALA 126          2HB       ALA 126 111.393  -1.251  18.000
  971   3HB   ALA 126          3HB       ALA 126 112.234  -0.586  16.600
  972    H    ALA 127           H        ALA 127 112.966  -2.594  15.041
  973    HA   ALA 127           HA       ALA 127 111.403  -5.131  15.406
  974   1HB   ALA 127          1HB       ALA 127 111.241  -2.924  13.328
  975   2HB   ALA 127          2HB       ALA 127 110.045  -3.286  14.572
  976   3HB   ALA 127          3HB       ALA 127 110.313  -4.423  13.252
  977    H    THR 128           H        THR 128 114.403  -4.563  14.967
  978    HA   THR 128           HA       THR 128 114.705  -6.314  12.553
  979    HB   THR 128           HB       THR 128 116.400  -3.941  13.401
  980    HG1  THR 128           HG1      THR 128 115.487  -2.986  11.561
  981   1HG2  THR 128          1HG2      THR 128 117.177  -6.135  11.933
  982   2HG2  THR 128          2HG2      THR 128 117.903  -4.533  11.813
  983   3HG2  THR 128          3HG2      THR 128 116.644  -5.019  10.677
  984    H    GLY 129           H        GLY 129 116.249  -5.107  15.546
  985   1HA   GLY 129          2HA       GLY 129 117.835  -7.638  15.642
  986   2HA   GLY 129          1HA       GLY 129 118.296  -6.143  16.456
  987    H    ASP 130           HN       ASP 130 114.977  -6.573  16.756
  988    HA   ASP 130           HA       ASP 130 114.925  -6.812  19.542
  989   1HB   ASP 130          2HB       ASP 130 112.560  -7.509  19.146
  990   2HB   ASP 130          1HB       ASP 130 113.033  -6.142  18.138
  Start of MODEL    3
    1   1H    GLY  -5          1H        GLY  -5  99.259   1.014 -29.422
    2   2H    GLY  -5          2H        GLY  -5  98.218   1.954 -28.463
    3   3H    GLY  -5          3H        GLY  -5  98.311   0.274 -28.226
    4   1HA   GLY  -5          2HA       GLY  -5  99.529   1.336 -26.483
    5   2HA   GLY  -5          1HA       GLY  -5 100.661   0.527 -27.568
    6    H    SER  -4           H        SER  -4  98.929   3.665 -27.671
    7    HA   SER  -4           HA       SER  -4  99.749   5.825 -28.177
    8   1HB   SER  -4          2HB       SER  -4 100.738   5.397 -25.958
    9   2HB   SER  -4          1HB       SER  -4 102.111   4.596 -26.716
   10    HG   SER  -4           HG       SER  -4 102.641   6.556 -27.702
   11    HA   PRO  -3           HA       PRO  -3 102.249   4.099 -31.719
   12   1HB   PRO  -3          2HB       PRO  -3 100.585   4.986 -33.705
   13   2HB   PRO  -3          1HB       PRO  -3 100.386   3.412 -32.908
   14   1HG   PRO  -3          2HG       PRO  -3  98.921   5.964 -32.450
   15   2HG   PRO  -3          1HG       PRO  -3  98.316   4.300 -32.464
   16   1HD   PRO  -3          2HD       PRO  -3  98.808   5.700 -30.178
   17   2HD   PRO  -3          1HD       PRO  -3  98.906   3.928 -30.284
   18    H    GLY  -2           H        GLY  -2 103.107   5.479 -33.627
   19   1HA   GLY  -2          2HA       GLY  -2 103.798   7.562 -34.541
   20   2HA   GLY  -2          1HA       GLY  -2 102.832   8.389 -33.319
   21    H    ILE  -1           H        ILE  -1 104.583   6.126 -31.659
   22    HA   ILE  -1           HA       ILE  -1 106.295   8.072 -30.413
   23    HB   ILE  -1           HB       ILE  -1 105.315   5.881 -29.516
   24   1HG1  ILE  -1          2HG1      ILE  -1 107.366   5.423 -28.124
   25   2HG1  ILE  -1          1HG1      ILE  -1 108.258   6.516 -29.181
   26   1HG2  ILE  -1          1HG2      ILE  -1 106.249   3.837 -30.082
   27   2HG2  ILE  -1          2HG2      ILE  -1 107.795   4.553 -30.540
   28   3HG2  ILE  -1          3HG2      ILE  -1 106.408   4.682 -31.622
   29   1HD1  ILE  -1          1HD1      ILE  -1 107.034   8.396 -28.485
   30   2HD1  ILE  -1          2HD1      ILE  -1 107.229   7.480 -26.991
   31   3HD1  ILE  -1          3HD1      ILE  -1 105.703   7.417 -27.871
   32    H    HIS   0           H        HIS   0 108.696   8.004 -30.423
   33    HA   HIS   0           HA       HIS   0 109.749   7.424 -33.158
   34   1HB   HIS   0          2HB       HIS   0 109.784   9.674 -31.676
   35   2HB   HIS   0          1HB       HIS   0 111.281   8.942 -31.100
   36    HD1  HIS   0           HD1      HIS   0 111.315  11.502 -32.878
   37    HD2  HIS   0           HD2      HIS   0 111.698   7.622 -34.353
   38    HE1  HIS   0           HE1      HIS   0 112.491  11.699 -35.113
   39    H    MET   1           H        MET   1 110.018   6.415 -29.839
   40    HA   MET   1           HA       MET   1 112.642   5.113 -30.272
   41   1HB   MET   1          2HB       MET   1 112.467   4.707 -27.856
   42   2HB   MET   1          1HB       MET   1 112.080   6.388 -28.215
   43   1HG   MET   1          2HG       MET   1 110.052   6.146 -27.278
   44   2HG   MET   1          1HG       MET   1 109.669   4.846 -28.406
   45   1HE   MET   1          1HE       MET   1 111.672   5.905 -25.474
   46   2HE   MET   1          2HE       MET   1 112.767   4.560 -25.783
   47   3HE   MET   1          3HE       MET   1 111.743   4.543 -24.349
   48    H    LEU   2           H        LEU   2 111.958   2.921 -28.394
   49    HA   LEU   2           HA       LEU   2 111.006   0.988 -30.359
   50   1HB   LEU   2          2HB       LEU   2 111.564   0.690 -27.388
   51   2HB   LEU   2          1HB       LEU   2 111.541  -0.603 -28.586
   52    HG   LEU   2           HG       LEU   2 113.492   1.722 -28.514
   53   1HD1  LEU   2          1HD1      LEU   2 113.998  -1.243 -28.147
   54   2HD1  LEU   2          2HD1      LEU   2 113.811  -0.113 -26.806
   55   3HD1  LEU   2          3HD1      LEU   2 115.153   0.073 -27.934
   56   1HD2  LEU   2          1HD2      LEU   2 114.611   0.312 -30.339
   57   2HD2  LEU   2          2HD2      LEU   2 113.145   1.171 -30.809
   58   3HD2  LEU   2          3HD2      LEU   2 113.081  -0.557 -30.461
   59    H    GLY   3           H        GLY   3 109.569  -0.729 -28.543
   60   1HA   GLY   3          2HA       GLY   3 106.916   0.512 -28.738
   61   2HA   GLY   3          1HA       GLY   3 107.252  -1.151 -28.256
   62    H    GLY   4           H        GLY   4 107.412  -1.633 -26.073
   63   1HA   GLY   4          2HA       GLY   4 106.209   0.006 -24.138
   64   2HA   GLY   4          1HA       GLY   4 107.329  -1.299 -23.746
   65    H    SER   5           H        SER   5 107.262   1.104 -22.233
   66    HA   SER   5           HA       SER   5 110.061   1.923 -22.480
   67   1HB   SER   5          2HB       SER   5 109.485   4.294 -22.988
   68   2HB   SER   5          1HB       SER   5 108.997   3.200 -24.279
   69    HG   SER   5           HG       SER   5 106.899   3.282 -23.518
   70    H    SER   6           H        SER   6 107.126   3.604 -21.307
   71    HA   SER   6           HA       SER   6 108.299   4.460 -18.858
   72   1HB   SER   6          2HB       SER   6 105.355   3.986 -19.029
   73   2HB   SER   6          1HB       SER   6 106.233   5.418 -18.514
   74    HG   SER   6           HG       SER   6 106.740   5.809 -20.693
   75    H    ASP   7           H        ASP   7 105.477   2.269 -18.764
   76    HA   ASP   7           HA       ASP   7 105.019   0.458 -17.317
   77   1HB   ASP   7          2HB       ASP   7 106.664  -0.611 -18.752
   78   2HB   ASP   7          1HB       ASP   7 107.991   0.113 -17.847
   79    H    ALA   8           H        ALA   8 108.339   0.986 -16.159
   80    HA   ALA   8           HA       ALA   8 107.338   1.299 -13.403
   81   1HB   ALA   8          1HB       ALA   8 109.583   0.855 -12.826
   82   2HB   ALA   8          2HB       ALA   8 110.193   1.495 -14.352
   83   3HB   ALA   8          3HB       ALA   8 109.366  -0.063 -14.317
   84    H    GLY   9           H        GLY   9 106.894   3.489 -15.465
   85   1HA   GLY   9          2HA       GLY   9 108.645   5.674 -15.121
   86   2HA   GLY   9          1HA       GLY   9 106.915   5.840 -15.436
   87    H    LEU  10           H        LEU  10 106.099   4.423 -13.042
   88    HA   LEU  10           HA       LEU  10 105.794   6.512 -11.174
   89   1HB   LEU  10          2HB       LEU  10 105.247   4.608  -9.617
   90   2HB   LEU  10          1HB       LEU  10 104.447   4.484 -11.183
   91    HG   LEU  10           HG       LEU  10 106.597   3.084 -11.829
   92   1HD1  LEU  10          1HD1      LEU  10 106.749   1.801  -9.322
   93   2HD1  LEU  10          2HD1      LEU  10 106.932   3.523  -8.991
   94   3HD1  LEU  10          3HD1      LEU  10 108.019   2.723 -10.125
   95   1HD2  LEU  10          1HD2      LEU  10 104.159   2.273 -10.276
   96   2HD2  LEU  10          2HD2      LEU  10 105.368   1.055 -10.685
   97   3HD2  LEU  10          3HD2      LEU  10 104.559   1.959 -11.965
   98    H    ALA  11           H        ALA  11 108.456   4.260 -11.626
   99    HA   ALA  11           HA       ALA  11 109.747   4.887  -9.070
  100   1HB   ALA  11          1HB       ALA  11 110.388   2.794  -9.739
  101   2HB   ALA  11          2HB       ALA  11 111.628   3.672 -10.632
  102   3HB   ALA  11          3HB       ALA  11 110.150   3.163 -11.446
  103    H    THR  12           H        THR  12 110.295   5.711 -12.512
  104    HA   THR  12           HA       THR  12 112.660   7.259 -12.171
  105    HB   THR  12           HB       THR  12 112.020   8.196 -14.356
  106    HG1  THR  12           HG1      THR  12 109.525   6.943 -13.904
  107   1HG2  THR  12          1HG2      THR  12 112.100   6.199 -15.529
  108   2HG2  THR  12          2HG2      THR  12 110.943   5.405 -14.461
  109   3HG2  THR  12          3HG2      THR  12 112.608   5.651 -13.931
  110    H    ALA  13           H        ALA  13 109.290   8.468 -12.467
  111    HA   ALA  13           HA       ALA  13 109.820  11.176 -11.797
  112   1HB   ALA  13          1HB       ALA  13 107.338  11.030 -11.072
  113   2HB   ALA  13          2HB       ALA  13 107.445   9.329 -11.523
  114   3HB   ALA  13          3HB       ALA  13 107.720  10.581 -12.734
  115    H    ALA  14           H        ALA  14 109.251   8.345  -9.751
  116    HA   ALA  14           HA       ALA  14 108.948   9.699  -7.241
  117   1HB   ALA  14          1HB       ALA  14 109.664   7.420  -6.376
  118   2HB   ALA  14          2HB       ALA  14 109.976   6.961  -8.049
  119   3HB   ALA  14          3HB       ALA  14 108.339   7.374  -7.539
  120    H    ALA  15           H        ALA  15 111.815   8.432  -8.952
  121    HA   ALA  15           HA       ALA  15 113.766   8.928  -6.944
  122   1HB   ALA  15          1HB       ALA  15 114.061   7.619  -9.042
  123   2HB   ALA  15          2HB       ALA  15 115.321   8.838  -8.854
  124   3HB   ALA  15          3HB       ALA  15 113.983   9.118  -9.969
  125    H    ARG  16           H        ARG  16 112.213  11.093  -9.256
  126    HA   ARG  16           HA       ARG  16 114.047  13.327  -8.692
  127   1HB   ARG  16          2HB       ARG  16 111.577  12.825 -10.346
  128   2HB   ARG  16          1HB       ARG  16 112.187  14.468 -10.133
  129   1HG   ARG  16          2HG       ARG  16 113.373  13.860 -12.024
  130   2HG   ARG  16          1HG       ARG  16 114.497  13.308 -10.782
  131   1HD   ARG  16          2HD       ARG  16 113.654  11.030 -10.945
  132   2HD   ARG  16          1HD       ARG  16 112.381  11.547 -12.069
  133    HE   ARG  16           HE       ARG  16 114.841  12.437 -13.146
  134   1HH1  ARG  16          2HH1      ARG  16 113.731   9.371 -12.037
  135   2HH1  ARG  16          1HH1      ARG  16 114.302   8.514 -13.427
  136   1HH2  ARG  16          1HH2      ARG  16 115.379  11.357 -15.088
  137   2HH2  ARG  16          2HH2      ARG  16 115.233   9.632 -15.146
  138    H    GLY  17           H        GLY  17 111.715  11.938  -6.838
  139   1HA   GLY  17          2HA       GLY  17 110.534  12.715  -4.965
  140   2HA   GLY  17          1HA       GLY  17 111.378  14.253  -5.156
  141    H    GLN  18           H        GLN  18 109.255  12.586  -7.476
  142    HA   GLN  18           HA       GLN  18 107.527  15.038  -7.491
  143   1HB   GLN  18          2HB       GLN  18 108.092  12.921  -9.596
  144   2HB   GLN  18          1HB       GLN  18 107.039  14.318  -9.824
  145   1HG   GLN  18          2HG       GLN  18 109.009  15.789  -9.241
  146   2HG   GLN  18          1HG       GLN  18 110.019  14.344  -9.283
  147   1HE2  GLN  18          1HE2      GLN  18 110.657  16.304 -11.123
  148   2HE2  GLN  18          2HE2      GLN  18 110.170  15.844 -12.683
  149    H    VAL  19           H        VAL  19 106.428  13.907  -5.567
  150    HA   VAL  19           HA       VAL  19 105.032  11.441  -5.774
  151    HB   VAL  19           HB       VAL  19 104.562  14.033  -4.272
  152   1HG1  VAL  19          1HG1      VAL  19 102.921  12.912  -2.896
  153   2HG1  VAL  19          2HG1      VAL  19 103.178  11.387  -3.743
  154   3HG1  VAL  19          3HG1      VAL  19 102.409  12.739  -4.573
  155   1HG2  VAL  19          1HG2      VAL  19 106.568  12.402  -3.908
  156   2HG2  VAL  19          2HG2      VAL  19 105.370  11.356  -3.149
  157   3HG2  VAL  19          3HG2      VAL  19 105.675  12.968  -2.497
  158    H    GLU  20           H        GLU  20 104.108  14.725  -6.789
  159    HA   GLU  20           HA       GLU  20 101.396  14.262  -7.483
  160   1HB   GLU  20          2HB       GLU  20 103.534  16.024  -8.725
  161   2HB   GLU  20          1HB       GLU  20 101.805  16.200  -9.025
  162   1HG   GLU  20          2HG       GLU  20 101.510  16.420  -6.508
  163   2HG   GLU  20          1HG       GLU  20 103.267  16.547  -6.398
  164    H    THR  21           H        THR  21 104.325  13.982  -9.533
  165    HA   THR  21           HA       THR  21 102.936  13.026 -11.867
  166    HB   THR  21           HB       THR  21 105.790  12.353 -11.182
  167    HG1  THR  21           HG1      THR  21 104.813  14.912 -11.911
  168   1HG2  THR  21          1HG2      THR  21 106.104  12.999 -13.555
  169   2HG2  THR  21          2HG2      THR  21 104.383  13.369 -13.666
  170   3HG2  THR  21          3HG2      THR  21 104.912  11.711 -13.377
  171    H    VAL  22           H        VAL  22 104.537  11.372  -9.148
  172    HA   VAL  22           HA       VAL  22 104.226   8.697 -10.207
  173    HB   VAL  22           HB       VAL  22 104.529   9.741  -7.369
  174   1HG1  VAL  22          1HG1      VAL  22 103.786   7.278  -7.824
  175   2HG1  VAL  22          2HG1      VAL  22 105.136   7.564  -6.727
  176   3HG1  VAL  22          3HG1      VAL  22 105.442   7.058  -8.387
  177   1HG2  VAL  22          1HG2      VAL  22 106.707   8.665  -9.162
  178   2HG2  VAL  22          2HG2      VAL  22 106.873   9.630  -7.695
  179   3HG2  VAL  22          3HG2      VAL  22 106.274  10.375  -9.178
  180    H    ARG  23           H        ARG  23 102.183  10.856  -8.320
  181    HA   ARG  23           HA       ARG  23 100.267   8.903  -7.406
  182   1HB   ARG  23          2HB       ARG  23 100.332  11.887  -7.848
  183   2HB   ARG  23          1HB       ARG  23  98.863  11.092  -7.283
  184   1HG   ARG  23          2HG       ARG  23 101.509  10.618  -5.917
  185   2HG   ARG  23          1HG       ARG  23 100.499  12.001  -5.493
  186   1HD   ARG  23          2HD       ARG  23  98.602  10.119  -5.373
  187   2HD   ARG  23          1HD       ARG  23 100.006   9.089  -5.032
  188    HE   ARG  23           HE       ARG  23  99.710  11.646  -3.531
  189   1HH1  ARG  23          2HH1      ARG  23  98.368   8.658  -3.220
  190   2HH1  ARG  23          1HH1      ARG  23  99.134   8.239  -1.723
  191   1HH2  ARG  23          1HH2      ARG  23 101.327  10.924  -1.788
  192   2HH2  ARG  23          2HH2      ARG  23 100.809   9.522  -0.914
  193    H    GLN  24           H        GLN  24 100.604  10.796 -10.373
  194    HA   GLN  24           HA       GLN  24  97.956  10.106 -11.401
  195   1HB   GLN  24          2HB       GLN  24 100.465  11.308 -12.615
  196   2HB   GLN  24          1HB       GLN  24  98.913  11.211 -13.449
  197   1HG   GLN  24          2HG       GLN  24  97.882  12.491 -11.549
  198   2HG   GLN  24          1HG       GLN  24  99.500  12.704 -10.878
  199   1HE2  GLN  24          1HE2      GLN  24  98.835  15.108 -11.286
  200   2HE2  GLN  24          2HE2      GLN  24  99.204  15.748 -12.815
  201    H    LEU  25           H        LEU  25 101.299   9.197 -12.349
  202    HA   LEU  25           HA       LEU  25 100.710   7.330 -14.362
  203   1HB   LEU  25          2HB       LEU  25 102.915   8.230 -12.929
  204   2HB   LEU  25          1HB       LEU  25 102.864   6.509 -12.547
  205    HG   LEU  25           HG       LEU  25 102.790   7.671 -15.350
  206   1HD1  LEU  25          1HD1      LEU  25 105.056   7.376 -15.487
  207   2HD1  LEU  25          2HD1      LEU  25 105.041   5.973 -14.417
  208   3HD1  LEU  25          3HD1      LEU  25 104.972   7.600 -13.739
  209   1HD2  LEU  25          1HD2      LEU  25 103.462   5.068 -15.635
  210   2HD2  LEU  25          2HD2      LEU  25 101.791   5.627 -15.674
  211   3HD2  LEU  25          3HD2      LEU  25 102.460   4.951 -14.190
  212    H    LEU  26           H        LEU  26 101.218   6.567 -10.883
  213    HA   LEU  26           HA       LEU  26 100.586   3.815 -10.988
  214   1HB   LEU  26          2HB       LEU  26 101.329   5.617  -9.098
  215   2HB   LEU  26          1HB       LEU  26  99.638   5.391  -8.653
  216    HG   LEU  26           HG       LEU  26 100.871   3.750  -7.421
  217   1HD1  LEU  26          1HD1      LEU  26  98.790   2.994  -8.727
  218   2HD1  LEU  26          2HD1      LEU  26  99.872   1.723  -8.158
  219   3HD1  LEU  26          3HD1      LEU  26  99.914   2.224  -9.848
  220   1HD2  LEU  26          1HD2      LEU  26 102.663   2.519  -8.240
  221   2HD2  LEU  26          2HD2      LEU  26 102.827   3.995  -9.191
  222   3HD2  LEU  26          3HD2      LEU  26 102.071   2.569  -9.902
  223    H    GLU  27           H        GLU  27  98.347   6.403  -9.907
  224    HA   GLU  27           HA       GLU  27  95.993   4.804  -9.927
  225   1HB   GLU  27          2HB       GLU  27  96.566   7.761 -10.204
  226   2HB   GLU  27          1HB       GLU  27  94.920   7.137 -10.098
  227   1HG   GLU  27          2HG       GLU  27  97.009   6.365  -8.064
  228   2HG   GLU  27          1HG       GLU  27  96.079   7.855  -7.893
  229    H    ALA  28           H        ALA  28  97.727   6.360 -12.541
  230    HA   ALA  28           HA       ALA  28  95.544   6.413 -14.450
  231   1HB   ALA  28          1HB       ALA  28  97.477   7.852 -14.680
  232   2HB   ALA  28          2HB       ALA  28  97.487   6.732 -16.042
  233   3HB   ALA  28          3HB       ALA  28  98.569   6.467 -14.675
  234    H    GLY  29           H        GLY  29  98.473   4.329 -14.382
  235   1HA   GLY  29          2HA       GLY  29  97.144   1.870 -14.628
  236   2HA   GLY  29          1HA       GLY  29  97.459   2.460 -16.256
  237    H    ALA  30           H        ALA  30  99.384   2.601 -13.248
  238    HA   ALA  30           HA       ALA  30 101.730   1.613 -14.807
  239   1HB   ALA  30          1HB       ALA  30 102.007   2.518 -12.000
  240   2HB   ALA  30          2HB       ALA  30 101.375   3.729 -13.116
  241   3HB   ALA  30          3HB       ALA  30 102.940   2.978 -13.424
  242    H    ASP  31           H        ASP  31 102.622  -0.384 -14.352
  243    HA   ASP  31           HA       ASP  31 101.205  -2.314 -12.770
  244   1HB   ASP  31          2HB       ASP  31 102.948  -2.462 -14.753
  245   2HB   ASP  31          1HB       ASP  31 104.126  -2.536 -13.442
  246    HA   PRO  32           HA       PRO  32 102.850  -1.216  -8.805
  247   1HB   PRO  32          2HB       PRO  32 102.115  -3.464  -7.436
  248   2HB   PRO  32          1HB       PRO  32 100.962  -2.201  -7.906
  249   1HG   PRO  32          2HG       PRO  32 101.473  -4.852  -9.141
  250   2HG   PRO  32          1HG       PRO  32  99.954  -3.967  -8.950
  251   1HD   PRO  32          2HD       PRO  32 101.386  -4.110 -11.292
  252   2HD   PRO  32          1HD       PRO  32 100.242  -2.811 -10.891
  253    H    ASN  33           H        ASN  33 104.075  -3.660 -10.805
  254    HA   ASN  33           HA       ASN  33 106.344  -4.141  -8.903
  255   1HB   ASN  33          2HB       ASN  33 104.925  -6.059 -10.774
  256   2HB   ASN  33          1HB       ASN  33 106.381  -6.457  -9.864
  257   1HD2  ASN  33          1HD2      ASN  33 105.870  -5.323  -7.365
  258   2HD2  ASN  33          2HD2      ASN  33 104.488  -6.031  -6.677
  259    H    ALA  34           H        ALA  34 105.778  -2.402 -11.499
  260    HA   ALA  34           HA       ALA  34 107.509  -3.417 -13.562
  261   1HB   ALA  34          1HB       ALA  34 106.632  -0.615 -12.782
  262   2HB   ALA  34          2HB       ALA  34 105.840  -1.676 -13.946
  263   3HB   ALA  34          3HB       ALA  34 107.434  -1.010 -14.302
  264    H    LEU  35           H        LEU  35 109.486  -4.104 -12.584
  265    HA   LEU  35           HA       LEU  35 111.080  -2.776 -10.696
  266   1HB   LEU  35          2HB       LEU  35 111.409  -4.745 -12.874
  267   2HB   LEU  35          1HB       LEU  35 112.897  -3.927 -12.401
  268    HG   LEU  35           HG       LEU  35 111.002  -5.268 -10.452
  269   1HD1  LEU  35          1HD1      LEU  35 113.718  -6.351 -11.011
  270   2HD1  LEU  35          2HD1      LEU  35 112.490  -6.623 -12.247
  271   3HD1  LEU  35          3HD1      LEU  35 112.230  -7.204 -10.601
  272   1HD2  LEU  35          1HD2      LEU  35 113.561  -3.737 -10.248
  273   2HD2  LEU  35          2HD2      LEU  35 113.341  -5.108  -9.163
  274   3HD2  LEU  35          3HD2      LEU  35 112.188  -3.774  -9.142
  275    H    ASN  36           H        ASN  36 113.287  -1.730 -11.240
  276    HA   ASN  36           HA       ASN  36 112.828   0.455 -13.223
  277   1HB   ASN  36          2HB       ASN  36 113.440   0.541 -10.601
  278   2HB   ASN  36          1HB       ASN  36 115.074   0.458 -11.259
  279   1HD2  ASN  36          1HD2      ASN  36 115.666   2.665 -10.890
  280   2HD2  ASN  36          2HD2      ASN  36 114.890   3.966 -11.656
  281    H    ARG  37           H        ARG  37 115.496   1.234 -13.575
  282    HA   ARG  37           HA       ARG  37 116.490  -0.947 -15.333
  283   1HB   ARG  37          2HB       ARG  37 116.879   2.027 -15.056
  284   2HB   ARG  37          1HB       ARG  37 118.010   1.072 -16.017
  285   1HG   ARG  37          2HG       ARG  37 116.398   1.713 -17.601
  286   2HG   ARG  37          1HG       ARG  37 115.870   0.095 -17.136
  287   1HD   ARG  37          2HD       ARG  37 114.026   0.880 -15.976
  288   2HD   ARG  37          1HD       ARG  37 114.822   2.409 -15.547
  289    HE   ARG  37           HE       ARG  37 114.187   1.908 -18.411
  290   1HH1  ARG  37          2HH1      ARG  37 114.981   4.415 -16.553
  291   2HH1  ARG  37          1HH1      ARG  37 113.548   5.358 -16.789
  292   1HH2  ARG  37          1HH2      ARG  37 111.765   2.767 -18.251
  293   2HH2  ARG  37          2HH2      ARG  37 111.727   4.426 -17.751
  294    H    PHE  38           H        PHE  38 117.253   0.650 -12.335
  295    HA   PHE  38           HA       PHE  38 120.057  -0.340 -12.363
  296   1HB   PHE  38          2HB       PHE  38 118.636   1.126 -10.135
  297   2HB   PHE  38          1HB       PHE  38 120.354   1.136 -10.526
  298    HD1  PHE  38           HD1      PHE  38 120.580   1.732 -13.296
  299    HD2  PHE  38           HD2      PHE  38 117.681   3.213 -10.494
  300    HE1  PHE  38           HE1      PHE  38 120.238   3.741 -14.710
  301    HE2  PHE  38           HE2      PHE  38 117.339   5.221 -11.907
  302    HZ   PHE  38           HZ       PHE  38 118.617   5.485 -14.016
  303    H    GLY  39           H        GLY  39 117.779  -2.240 -12.255
  304   1HA   GLY  39          2HA       GLY  39 117.061  -4.102 -11.034
  305   2HA   GLY  39          1HA       GLY  39 118.681  -4.072 -10.344
  306    H    ARG  40           H        ARG  40 116.572  -1.328  -9.946
  307    HA   ARG  40           HA       ARG  40 116.475  -1.886  -7.016
  308   1HB   ARG  40          2HB       ARG  40 117.333   0.269  -8.372
  309   2HB   ARG  40          1HB       ARG  40 115.628   0.701  -8.245
  310   1HG   ARG  40          2HG       ARG  40 116.297   1.560  -6.230
  311   2HG   ARG  40          1HG       ARG  40 116.075  -0.108  -5.705
  312   1HD   ARG  40          2HD       ARG  40 118.288   0.767  -4.987
  313   2HD   ARG  40          1HD       ARG  40 118.483  -0.555  -6.153
  314    HE   ARG  40           HE       ARG  40 119.420   1.019  -7.633
  315   1HH1  ARG  40          1HH2      ARG  40 118.294   2.690  -4.913
  316   2HH1  ARG  40          2HH2      ARG  40 118.176   4.226  -5.705
  317   1HH2  ARG  40          2HH1      ARG  40 118.861   2.959  -8.857
  318   2HH2  ARG  40          1HH1      ARG  40 118.496   4.378  -7.932
  319    H    ARG  41           H        ARG  41 114.422  -1.307  -5.906
  320    HA   ARG  41           HA       ARG  41 112.094  -2.397  -7.311
  321   1HB   ARG  41          2HB       ARG  41 113.044  -1.865  -4.616
  322   2HB   ARG  41          1HB       ARG  41 111.373  -1.337  -4.802
  323   1HG   ARG  41          2HG       ARG  41 110.982  -3.553  -4.305
  324   2HG   ARG  41          1HG       ARG  41 111.185  -3.704  -6.051
  325   1HD   ARG  41          2HD       ARG  41 113.621  -3.858  -4.293
  326   2HD   ARG  41          1HD       ARG  41 112.575  -5.282  -4.456
  327    HE   ARG  41           HE       ARG  41 113.258  -3.965  -6.995
  328   1HH1  ARG  41          2HH1      ARG  41 112.597  -6.933  -6.256
  329   2HH1  ARG  41          1HH1      ARG  41 114.114  -7.674  -6.643
  330   1HH2  ARG  41          1HH2      ARG  41 115.842  -4.673  -6.813
  331   2HH2  ARG  41          2HH2      ARG  41 115.949  -6.396  -6.958
  332    HA   PRO  42           HA       PRO  42 109.991   1.331  -8.312
  333   1HB   PRO  42          2HB       PRO  42 107.553   1.213  -7.066
  334   2HB   PRO  42          1HB       PRO  42 107.975   0.217  -8.473
  335   1HG   PRO  42          2HG       PRO  42 107.943  -0.506  -5.584
  336   2HG   PRO  42          1HG       PRO  42 107.433  -1.453  -6.991
  337   1HD   PRO  42          2HD       PRO  42 109.799  -1.845  -5.732
  338   2HD   PRO  42          1HD       PRO  42 109.567  -2.148  -7.466
  339    H    ILE  43           H        ILE  43 110.193   0.647  -4.867
  340    HA   ILE  43           HA       ILE  43 109.812   3.542  -4.238
  341    HB   ILE  43           HB       ILE  43 109.721   0.947  -2.700
  342   1HG1  ILE  43          2HG1      ILE  43 107.846   3.312  -3.033
  343   2HG1  ILE  43          1HG1      ILE  43 107.667   1.725  -3.779
  344   1HG2  ILE  43          1HG2      ILE  43 109.910   3.750  -1.545
  345   2HG2  ILE  43          2HG2      ILE  43 111.064   2.439  -1.304
  346   3HG2  ILE  43          3HG2      ILE  43 109.443   2.322  -0.624
  347   1HD1  ILE  43          1HD1      ILE  43 106.220   1.771  -1.853
  348   2HD1  ILE  43          2HD1      ILE  43 107.516   2.391  -0.828
  349   3HD1  ILE  43          3HD1      ILE  43 107.594   0.741  -1.449
  350    H    GLN  44           H        GLN  44 112.161   0.894  -4.028
  351    HA   GLN  44           HA       GLN  44 114.151   2.100  -2.435
  352   1HB   GLN  44          2HB       GLN  44 114.247   0.249  -4.826
  353   2HB   GLN  44          1HB       GLN  44 115.663   0.603  -3.835
  354   1HG   GLN  44          2HG       GLN  44 114.213  -0.078  -1.822
  355   2HG   GLN  44          1HG       GLN  44 113.103  -0.766  -3.005
  356   1HE2  GLN  44          1HE2      GLN  44 113.708  -2.908  -1.969
  357   2HE2  GLN  44          2HE2      GLN  44 115.137  -3.676  -2.469
  358    H    VAL  45           H        VAL  45 113.079   3.012  -5.613
  359    HA   VAL  45           HA       VAL  45 115.504   4.742  -5.946
  360    HB   VAL  45           HB       VAL  45 115.060   2.959  -7.648
  361   1HG1  VAL  45          1HG1      VAL  45 112.587   2.998  -7.486
  362   2HG1  VAL  45          2HG1      VAL  45 113.129   3.219  -9.149
  363   3HG1  VAL  45          3HG1      VAL  45 112.574   4.606  -8.212
  364   1HG2  VAL  45          1HG2      VAL  45 116.095   5.301  -8.114
  365   2HG2  VAL  45          2HG2      VAL  45 114.561   5.653  -8.910
  366   3HG2  VAL  45          3HG2      VAL  45 115.575   4.334  -9.494
  367    H    MET  46           H        MET  46 112.924   5.291  -4.398
  368    HA   MET  46           HA       MET  46 111.717   7.480  -6.013
  369   1HB   MET  46          2HB       MET  46 110.057   7.485  -4.193
  370   2HB   MET  46          1HB       MET  46 110.313   5.841  -4.777
  371   1HG   MET  46          2HG       MET  46 110.704   5.278  -2.626
  372   2HG   MET  46          1HG       MET  46 112.241   6.126  -2.788
  373   1HE   MET  46          1HE       MET  46 110.492   6.889   0.693
  374   2HE   MET  46          2HE       MET  46 111.329   5.643  -0.228
  375   3HE   MET  46          3HE       MET  46 109.573   5.752  -0.301
  376    H    MET  47           H        MET  47 114.494   7.682  -4.962
  377    HA   MET  47           HA       MET  47 115.828   9.401  -4.045
  378   1HB   MET  47          2HB       MET  47 113.766  10.682  -5.041
  379   2HB   MET  47          1HB       MET  47 113.299  10.879  -3.352
  380   1HG   MET  47          2HG       MET  47 116.132  11.462  -3.791
  381   2HG   MET  47          1HG       MET  47 115.078  12.501  -4.750
  382   1HE   MET  47          1HE       MET  47 112.411  13.306  -2.103
  383   2HE   MET  47          2HE       MET  47 112.763  12.796  -3.752
  384   3HE   MET  47          3HE       MET  47 113.165  14.433  -3.241
  385    H    MET  48           H        MET  48 113.481   7.671  -2.285
  386    HA   MET  48           HA       MET  48 113.175   7.267   0.022
  387   1HB   MET  48          2HB       MET  48 116.023   7.458  -0.703
  388   2HB   MET  48          1HB       MET  48 115.717   7.643   1.025
  389   1HG   MET  48          2HG       MET  48 116.065   5.272   0.437
  390   2HG   MET  48          1HG       MET  48 114.428   5.541   1.031
  391   1HE   MET  48          1HE       MET  48 113.709   2.904  -0.644
  392   2HE   MET  48          2HE       MET  48 112.357   3.930  -1.117
  393   3HE   MET  48          3HE       MET  48 113.125   4.164   0.452
  394    H    GLY  49           H        GLY  49 112.928  10.140  -0.934
  395   1HA   GLY  49          2HA       GLY  49 113.343  11.417   1.734
  396   2HA   GLY  49          1HA       GLY  49 113.742  12.281   0.249
  397    H    SER  50           H        SER  50 111.028  10.234  -0.080
  398    HA   SER  50           HA       SER  50 109.111  12.410   0.608
  399   1HB   SER  50          2HB       SER  50 108.120  11.892  -1.736
  400   2HB   SER  50          1HB       SER  50 109.579  12.875  -1.663
  401    HG   SER  50           HG       SER  50 109.537  11.010  -3.171
  402    H    ALA  51           H        ALA  51 108.339  10.953   2.283
  403    HA   ALA  51           HA       ALA  51 107.663   8.234   2.040
  404   1HB   ALA  51          1HB       ALA  51 107.558   9.256   4.166
  405   2HB   ALA  51          2HB       ALA  51 105.865   8.957   3.779
  406   3HB   ALA  51          3HB       ALA  51 106.542  10.573   3.579
  407    H    GLN  52           H        GLN  52 106.026  11.049   0.743
  408    HA   GLN  52           HA       GLN  52 103.425  10.061   0.267
  409   1HB   GLN  52          2HB       GLN  52 105.272  12.074  -0.853
  410   2HB   GLN  52          1HB       GLN  52 103.950  11.583  -1.906
  411   1HG   GLN  52          2HG       GLN  52 103.235  13.487  -0.563
  412   2HG   GLN  52          1HG       GLN  52 102.341  12.048  -0.064
  413   1HE2  GLN  52          1HE2      GLN  52 103.016  10.997   1.980
  414   2HE2  GLN  52          2HE2      GLN  52 103.883  11.875   3.143
  415    H    VAL  53           H        VAL  53 106.432   9.475  -1.500
  416    HA   VAL  53           HA       VAL  53 105.088   8.015  -3.665
  417    HB   VAL  53           HB       VAL  53 108.019   8.242  -2.909
  418   1HG1  VAL  53          1HG1      VAL  53 106.544   6.970  -5.089
  419   2HG1  VAL  53          2HG1      VAL  53 108.241   6.802  -4.637
  420   3HG1  VAL  53          3HG1      VAL  53 107.732   8.133  -5.676
  421   1HG2  VAL  53          1HG2      VAL  53 107.929  10.061  -4.734
  422   2HG2  VAL  53          2HG2      VAL  53 107.248  10.480  -3.162
  423   3HG2  VAL  53          3HG2      VAL  53 106.181  10.043  -4.498
  424    H    ALA  54           H        ALA  54 106.861   7.237  -0.696
  425    HA   ALA  54           HA       ALA  54 107.268   4.444  -1.174
  426   1HB   ALA  54          1HB       ALA  54 107.814   6.327   0.790
  427   2HB   ALA  54          2HB       ALA  54 108.187   4.606   0.896
  428   3HB   ALA  54          3HB       ALA  54 106.694   5.229   1.598
  429    H    GLU  55           H        GLU  55 104.673   6.100   0.665
  430    HA   GLU  55           HA       GLU  55 103.120   3.729   1.141
  431   1HB   GLU  55          2HB       GLU  55 101.417   5.362   1.829
  432   2HB   GLU  55          1HB       GLU  55 103.004   5.871   2.405
  433   1HG   GLU  55          2HG       GLU  55 103.192   7.317   0.337
  434   2HG   GLU  55          1HG       GLU  55 101.505   6.931  -0.003
  435    H    LEU  56           H        LEU  56 103.137   6.100  -1.502
  436    HA   LEU  56           HA       LEU  56 100.708   5.502  -2.792
  437   1HB   LEU  56          2HB       LEU  56 102.725   7.145  -3.266
  438   2HB   LEU  56          1HB       LEU  56 103.253   5.856  -4.344
  439    HG   LEU  56           HG       LEU  56 100.564   7.258  -4.424
  440   1HD1  LEU  56          1HD1      LEU  56 101.939   8.761  -5.489
  441   2HD1  LEU  56          2HD1      LEU  56 101.667   7.661  -6.842
  442   3HD1  LEU  56          3HD1      LEU  56 103.144   7.536  -5.886
  443   1HD2  LEU  56          1HD2      LEU  56 100.108   5.069  -5.167
  444   2HD2  LEU  56          2HD2      LEU  56 101.705   4.885  -5.894
  445   3HD2  LEU  56          3HD2      LEU  56 100.499   5.915  -6.665
  446    H    LEU  57           H        LEU  57 103.862   4.095  -3.742
  447    HA   LEU  57           HA       LEU  57 102.657   1.991  -5.308
  448   1HB   LEU  57          2HB       LEU  57 105.428   2.315  -4.114
  449   2HB   LEU  57          1HB       LEU  57 105.001   1.212  -5.424
  450    HG   LEU  57           HG       LEU  57 104.111   3.958  -5.926
  451   1HD1  LEU  57          1HD1      LEU  57 105.997   4.936  -5.076
  452   2HD1  LEU  57          2HD1      LEU  57 106.718   4.352  -6.575
  453   3HD1  LEU  57          3HD1      LEU  57 106.906   3.425  -5.088
  454   1HD2  LEU  57          1HD2      LEU  57 106.063   2.349  -7.553
  455   2HD2  LEU  57          2HD2      LEU  57 104.797   3.440  -8.110
  456   3HD2  LEU  57          3HD2      LEU  57 104.375   1.855  -7.467
  457    H    LEU  58           H        LEU  58 103.839   2.191  -1.973
  458    HA   LEU  58           HA       LEU  58 103.932  -0.568  -1.327
  459   1HB   LEU  58          2HB       LEU  58 104.764   1.291   0.064
  460   2HB   LEU  58          1HB       LEU  58 103.109   1.828   0.345
  461    HG   LEU  58           HG       LEU  58 103.221  -0.952   0.979
  462   1HD1  LEU  58          1HD1      LEU  58 104.937  -0.154   3.027
  463   2HD1  LEU  58          2HD1      LEU  58 105.698   0.481   1.570
  464   3HD1  LEU  58          3HD1      LEU  58 105.341  -1.241   1.700
  465   1HD2  LEU  58          1HD2      LEU  58 102.045  -0.219   2.790
  466   2HD2  LEU  58          2HD2      LEU  58 102.053   1.332   1.953
  467   3HD2  LEU  58          3HD2      LEU  58 103.253   0.997   3.202
  468    H    LEU  59           H        LEU  59 101.235   1.677  -0.559
  469    HA   LEU  59           HA       LEU  59  99.372  -0.347   0.173
  470   1HB   LEU  59          2HB       LEU  59  97.778   1.456   0.078
  471   2HB   LEU  59          1HB       LEU  59  99.313   2.165   0.578
  472    HG   LEU  59           HG       LEU  59  99.592   2.432  -2.079
  473   1HD1  LEU  59          1HD1      LEU  59  97.115   3.327  -2.649
  474   2HD1  LEU  59          2HD1      LEU  59  96.692   2.010  -1.555
  475   3HD1  LEU  59          3HD1      LEU  59  97.631   1.680  -3.011
  476   1HD2  LEU  59          1HD2      LEU  59  99.442   4.152  -0.098
  477   2HD2  LEU  59          2HD2      LEU  59  97.793   4.394  -0.675
  478   3HD2  LEU  59          3HD2      LEU  59  99.158   4.711  -1.747
  479    H    HIS  60           H        HIS  60 100.373   0.816  -2.978
  480    HA   HIS  60           HA       HIS  60  98.076  -0.265  -4.426
  481   1HB   HIS  60          2HB       HIS  60 100.631   1.138  -4.953
  482   2HB   HIS  60          1HB       HIS  60 100.052   0.112  -6.266
  483    HD1  HIS  60           HD1      HIS  60  97.932   0.845  -7.508
  484    HD2  HIS  60           HD2      HIS  60  98.837   3.301  -4.264
  485    HE1  HIS  60           HE1      HIS  60  96.408   2.860  -7.686
  486    H    GLY  61           H        GLY  61 101.557  -1.165  -4.562
  487   1HA   GLY  61          2HA       GLY  61 101.278  -3.886  -4.010
  488   2HA   GLY  61          1HA       GLY  61 101.028  -3.704  -5.742
  489    H    ALA  62           H        ALA  62 103.229  -1.780  -3.734
  490    HA   ALA  62           HA       ALA  62 105.418  -2.135  -5.597
  491   1HB   ALA  62          1HB       ALA  62 105.774  -0.198  -4.460
  492   2HB   ALA  62          2HB       ALA  62 106.481  -1.218  -3.208
  493   3HB   ALA  62          3HB       ALA  62 104.791  -0.727  -3.096
  494    H    GLU  63           H        GLU  63 107.658  -2.746  -4.340
  495    HA   GLU  63           HA       GLU  63 107.200  -5.445  -3.113
  496   1HB   GLU  63          2HB       GLU  63 109.103  -4.355  -5.166
  497   2HB   GLU  63          1HB       GLU  63 109.610  -5.725  -4.178
  498   1HG   GLU  63          2HG       GLU  63 107.091  -6.506  -4.894
  499   2HG   GLU  63          1HG       GLU  63 107.583  -5.599  -6.324
  500    HA   PRO  64           HA       PRO  64 109.548  -2.800  -0.141
  501   1HB   PRO  64          2HB       PRO  64 107.995  -3.337   2.041
  502   2HB   PRO  64          1HB       PRO  64 107.637  -2.028   0.901
  503   1HG   PRO  64          2HG       PRO  64 106.378  -4.696   1.171
  504   2HG   PRO  64          1HG       PRO  64 105.666  -3.152   0.685
  505   1HD   PRO  64          2HD       PRO  64 106.376  -5.193  -1.044
  506   2HD   PRO  64          1HD       PRO  64 106.141  -3.496  -1.510
  507    H    ASN  65           H        ASN  65 108.804  -6.080  -0.556
  508    HA   ASN  65           HA       ASN  65 110.517  -6.932   1.743
  509   1HB   ASN  65          2HB       ASN  65 108.066  -7.814   0.620
  510   2HB   ASN  65          1HB       ASN  65 109.254  -9.060   0.239
  511   1HD2  ASN  65          1HD2      ASN  65 107.825 -10.312   1.882
  512   2HD2  ASN  65          2HD2      ASN  65 108.232 -10.167   3.524
  513    H    CYS  66           H        CYS  66 109.966  -7.682  -1.722
  514    HA   CYS  66           HA       CYS  66 112.222  -9.283  -2.204
  515   1HB   CYS  66          2HB       CYS  66 110.199  -7.963  -3.636
  516   2HB   CYS  66          1HB       CYS  66 111.717  -7.485  -4.380
  517    HG   CYS  66           HG       CYS  66 112.273 -10.029  -4.743
  518    H    ALA  67           H        ALA  67 114.408  -8.868  -2.376
  519    HA   ALA  67           HA       ALA  67 115.272  -5.994  -2.278
  520   1HB   ALA  67          1HB       ALA  67 116.619  -6.574  -0.540
  521   2HB   ALA  67          2HB       ALA  67 117.144  -8.057  -1.336
  522   3HB   ALA  67          3HB       ALA  67 115.628  -8.028  -0.436
  523    H    ASP  68           H        ASP  68 117.844  -6.100  -2.901
  524    HA   ASP  68           HA       ASP  68 117.882  -6.987  -5.711
  525   1HB   ASP  68          2HB       ASP  68 118.713  -4.769  -4.632
  526   2HB   ASP  68          1HB       ASP  68 120.122  -5.709  -4.142
  527    HA   PRO  69           HA       PRO  69 119.958 -10.755  -4.494
  528   1HB   PRO  69          2HB       PRO  69 120.416 -11.712  -7.014
  529   2HB   PRO  69          1HB       PRO  69 118.830 -11.800  -6.223
  530   1HG   PRO  69          2HG       PRO  69 119.814  -9.893  -8.281
  531   2HG   PRO  69          1HG       PRO  69 118.216 -10.633  -8.099
  532   1HD   PRO  69          2HD       PRO  69 118.796  -8.068  -7.355
  533   2HD   PRO  69          1HD       PRO  69 117.510  -9.046  -6.613
  534    H    ALA  70           H        ALA  70 121.217  -8.424  -6.825
  535    HA   ALA  70           HA       ALA  70 123.874  -9.421  -7.110
  536   1HB   ALA  70          1HB       ALA  70 122.863  -7.678  -8.510
  537   2HB   ALA  70          2HB       ALA  70 124.332  -7.054  -7.761
  538   3HB   ALA  70          3HB       ALA  70 122.753  -6.599  -7.120
  539    H    THR  71           H        THR  71 122.404  -7.339  -4.625
  540    HA   THR  71           HA       THR  71 124.799  -7.823  -2.914
  541    HB   THR  71           HB       THR  71 124.385  -5.236  -2.356
  542    HG1  THR  71           HG1      THR  71 123.620  -4.134  -4.062
  543   1HG2  THR  71          1HG2      THR  71 126.347  -6.641  -3.554
  544   2HG2  THR  71          2HG2      THR  71 126.375  -4.882  -3.428
  545   3HG2  THR  71          3HG2      THR  71 125.829  -5.651  -4.919
  546    H    LEU  72           H        LEU  72 122.133  -8.941  -2.767
  547    HA   LEU  72           HA       LEU  72 120.157  -8.937  -1.375
  548   1HB   LEU  72          2HB       LEU  72 122.728  -9.595  -0.234
  549   2HB   LEU  72          1HB       LEU  72 121.645  -9.020   1.031
  550    HG   LEU  72           HG       LEU  72 120.910 -11.153  -0.992
  551   1HD1  LEU  72          1HD1      LEU  72 121.516 -11.571   1.939
  552   2HD1  LEU  72          2HD1      LEU  72 122.770 -11.710   0.704
  553   3HD1  LEU  72          3HD1      LEU  72 121.372 -12.786   0.668
  554   1HD2  LEU  72          1HD2      LEU  72 119.534  -9.757   1.256
  555   2HD2  LEU  72          2HD2      LEU  72 119.230 -11.485   1.080
  556   3HD2  LEU  72          3HD2      LEU  72 118.868 -10.386  -0.250
  557    H    THR  73           H        THR  73 120.011  -6.378  -1.980
  558    HA   THR  73           HA       THR  73 120.188  -4.830   0.581
  559    HB   THR  73           HB       THR  73 119.807  -3.053  -1.528
  560    HG1  THR  73           HG1      THR  73 121.314  -3.784  -3.077
  561   1HG2  THR  73          1HG2      THR  73 122.317  -2.720  -1.284
  562   2HG2  THR  73          2HG2      THR  73 122.309  -4.106  -0.194
  563   3HG2  THR  73          3HG2      THR  73 121.397  -2.655   0.220
  564    H    ARG  74           H        ARG  74 118.235  -4.540   1.547
  565    HA   ARG  74           HA       ARG  74 115.729  -4.832  -0.015
  566   1HB   ARG  74          2HB       ARG  74 116.678  -5.072   2.762
  567   2HB   ARG  74          1HB       ARG  74 115.085  -4.336   2.622
  568   1HG   ARG  74          2HG       ARG  74 115.020  -6.480   0.821
  569   2HG   ARG  74          1HG       ARG  74 115.869  -7.113   2.232
  570   1HD   ARG  74          2HD       ARG  74 113.825  -5.737   3.434
  571   2HD   ARG  74          1HD       ARG  74 113.035  -6.319   1.955
  572    HE   ARG  74           HE       ARG  74 114.041  -8.003   4.124
  573   1HH1  ARG  74          2HH1      ARG  74 115.375  -8.903   1.546
  574   2HH1  ARG  74          1HH1      ARG  74 114.249 -10.089   0.978
  575   1HH2  ARG  74          1HH2      ARG  74 111.682  -9.038   3.056
  576   2HH2  ARG  74          2HH2      ARG  74 112.161 -10.166   1.832
  577    HA   PRO  75           HA       PRO  75 114.687  -0.554   0.002
  578   1HB   PRO  75          2HB       PRO  75 112.107  -0.490   0.914
  579   2HB   PRO  75          1HB       PRO  75 112.548  -1.100  -0.693
  580   1HG   PRO  75          2HG       PRO  75 111.926  -2.606   1.798
  581   2HG   PRO  75          1HG       PRO  75 111.489  -2.969   0.121
  582   1HD   PRO  75          2HD       PRO  75 113.523  -4.209   1.440
  583   2HD   PRO  75          1HD       PRO  75 113.497  -3.977  -0.321
  584    H    VAL  76           H        VAL  76 114.327  -2.312   3.002
  585    HA   VAL  76           HA       VAL  76 113.723  -0.199   4.811
  586    HB   VAL  76           HB       VAL  76 115.491  -2.646   5.165
  587   1HG1  VAL  76          1HG1      VAL  76 113.859  -1.080   7.186
  588   2HG1  VAL  76          2HG1      VAL  76 115.610  -0.968   7.008
  589   3HG1  VAL  76          3HG1      VAL  76 114.870  -2.485   7.523
  590   1HG2  VAL  76          1HG2      VAL  76 113.184  -3.469   6.146
  591   2HG2  VAL  76          2HG2      VAL  76 113.469  -3.535   4.406
  592   3HG2  VAL  76          3HG2      VAL  76 112.516  -2.220   5.095
  593    H    HIS  77           H        HIS  77 116.827  -1.305   3.466
  594    HA   HIS  77           HA       HIS  77 118.547   0.359   5.044
  595   1HB   HIS  77          2HB       HIS  77 118.718  -0.907   2.298
  596   2HB   HIS  77          1HB       HIS  77 120.076  -0.047   3.023
  597    HD1  HIS  77           HD1      HIS  77 117.884  -3.082   3.553
  598    HD2  HIS  77           HD2      HIS  77 121.415  -1.455   5.055
  599    HE1  HIS  77           HE1      HIS  77 118.916  -4.855   5.038
  600    H    ASP  78           H        ASP  78 117.062   0.859   1.831
  601    HA   ASP  78           HA       ASP  78 118.185   3.343   1.144
  602   1HB   ASP  78          2HB       ASP  78 116.051   1.634   0.350
  603   2HB   ASP  78          1HB       ASP  78 115.383   3.260   0.483
  604    H    ALA  79           H        ALA  79 114.916   3.007   2.586
  605    HA   ALA  79           HA       ALA  79 114.544   5.711   3.289
  606   1HB   ALA  79          1HB       ALA  79 113.607   3.116   4.547
  607   2HB   ALA  79          2HB       ALA  79 112.757   4.090   3.347
  608   3HB   ALA  79          3HB       ALA  79 112.955   4.692   4.993
  609    H    ALA  80           H        ALA  80 116.464   3.234   4.871
  610    HA   ALA  80           HA       ALA  80 116.788   4.690   7.388
  611   1HB   ALA  80          1HB       ALA  80 116.921   2.233   7.192
  612   2HB   ALA  80          2HB       ALA  80 118.447   2.883   7.791
  613   3HB   ALA  80          3HB       ALA  80 118.301   2.388   6.105
  614    H    ARG  81           H        ARG  81 118.753   4.149   4.458
  615    HA   ARG  81           HA       ARG  81 121.086   5.572   5.278
  616   1HB   ARG  81          2HB       ARG  81 119.768   4.911   2.643
  617   2HB   ARG  81          1HB       ARG  81 121.289   5.803   2.701
  618   1HG   ARG  81          2HG       ARG  81 122.071   3.882   4.289
  619   2HG   ARG  81          1HG       ARG  81 120.722   2.984   3.591
  620   1HD   ARG  81          2HD       ARG  81 122.961   4.292   2.000
  621   2HD   ARG  81          1HD       ARG  81 122.789   2.552   2.305
  622    HE   ARG  81           HE       ARG  81 120.322   3.316   1.269
  623   1HH1  ARG  81          1HH2      ARG  81 123.022   4.844   0.106
  624   2HH1  ARG  81          2HH2      ARG  81 122.939   4.194  -1.499
  625   1HH2  ARG  81          2HH1      ARG  81 120.454   1.902  -0.726
  626   2HH2  ARG  81          1HH1      ARG  81 121.484   2.529  -1.969
  627    H    GLU  82           H        GLU  82 117.945   6.691   4.262
  628    HA   GLU  82           HA       GLU  82 118.941   9.450   3.767
  629   1HB   GLU  82          2HB       GLU  82 116.620   7.771   3.082
  630   2HB   GLU  82          1HB       GLU  82 116.185   9.425   3.516
  631   1HG   GLU  82          2HG       GLU  82 116.603   9.598   1.213
  632   2HG   GLU  82          1HG       GLU  82 118.139  10.099   1.921
  633    H    GLY  83           H        GLY  83 117.026   7.560   6.061
  634   1HA   GLY  83          2HA       GLY  83 116.761   8.119   8.378
  635   2HA   GLY  83          1HA       GLY  83 117.244   9.775   8.010
  636    H    PHE  84           H        PHE  84 114.850   8.203   6.013
  637    HA   PHE  84           HA       PHE  84 112.858  10.222   6.846
  638   1HB   PHE  84          2HB       PHE  84 113.598   9.078   4.472
  639   2HB   PHE  84          1HB       PHE  84 112.176   8.120   4.879
  640    HD1  PHE  84           HD1      PHE  84 109.985   9.277   5.337
  641    HD2  PHE  84           HD2      PHE  84 113.408  11.361   3.796
  642    HE1  PHE  84           HE1      PHE  84 108.525  11.149   4.628
  643    HE2  PHE  84           HE2      PHE  84 111.948  13.235   3.086
  644    HZ   PHE  84           HZ       PHE  84 109.506  13.130   3.503
  645    H    LEU  85           H        LEU  85 112.201   9.488   8.921
  646    HA   LEU  85           HA       LEU  85 111.545   6.809   9.641
  647   1HB   LEU  85          2HB       LEU  85 111.732   9.275  10.836
  648   2HB   LEU  85          1HB       LEU  85 109.992   9.000  10.873
  649    HG   LEU  85           HG       LEU  85 110.959   8.105  12.909
  650   1HD1  LEU  85          1HD1      LEU  85 109.167   6.805  11.583
  651   2HD1  LEU  85          2HD1      LEU  85 110.036   5.928  12.842
  652   3HD1  LEU  85          3HD1      LEU  85 110.473   5.703  11.148
  653   1HD2  LEU  85          1HD2      LEU  85 112.616   6.185  12.695
  654   2HD2  LEU  85          2HD2      LEU  85 113.247   7.778  12.280
  655   3HD2  LEU  85          3HD2      LEU  85 112.806   6.646  11.005
  656    H    ASP  86           H        ASP  86 109.594   9.362   8.132
  657    HA   ASP  86           HA       ASP  86 107.013   8.226   8.437
  658   1HB   ASP  86          2HB       ASP  86 107.776  10.510   7.560
  659   2HB   ASP  86          1HB       ASP  86 108.030   9.714   6.007
  660    H    THR  87           H        THR  87 109.538   7.538   6.022
  661    HA   THR  87           HA       THR  87 107.834   5.846   4.377
  662    HB   THR  87           HB       THR  87 110.773   5.492   4.357
  663    HG1  THR  87           HG1      THR  87 109.578   7.965   3.680
  664   1HG2  THR  87          1HG2      THR  87 108.873   4.875   2.642
  665   2HG2  THR  87          2HG2      THR  87 110.471   5.372   2.089
  666   3HG2  THR  87          3HG2      THR  87 109.143   6.533   2.103
  667    H    LEU  88           H        LEU  88 110.260   5.253   6.925
  668    HA   LEU  88           HA       LEU  88 110.393   2.431   6.794
  669   1HB   LEU  88          2HB       LEU  88 111.365   4.479   8.374
  670   2HB   LEU  88          1HB       LEU  88 110.327   3.601   9.498
  671    HG   LEU  88           HG       LEU  88 111.477   1.474   8.737
  672   1HD1  LEU  88          1HD1      LEU  88 113.597   1.677   7.564
  673   2HD1  LEU  88          2HD1      LEU  88 113.474   3.435   7.568
  674   3HD1  LEU  88          3HD1      LEU  88 112.351   2.477   6.606
  675   1HD2  LEU  88          1HD2      LEU  88 112.366   3.534  10.525
  676   2HD2  LEU  88          2HD2      LEU  88 113.785   2.788   9.793
  677   3HD2  LEU  88          3HD2      LEU  88 112.614   1.793  10.657
  678    H    VAL  89           H        VAL  89 108.043   4.525   8.464
  679    HA   VAL  89           HA       VAL  89 106.559   2.468   9.789
  680    HB   VAL  89           HB       VAL  89 105.755   5.182   8.679
  681   1HG1  VAL  89          1HG1      VAL  89 103.891   5.106  10.218
  682   2HG1  VAL  89          2HG1      VAL  89 104.450   3.576  10.895
  683   3HG1  VAL  89          3HG1      VAL  89 103.838   3.638   9.241
  684   1HG2  VAL  89          1HG2      VAL  89 107.185   4.235  11.114
  685   2HG2  VAL  89          2HG2      VAL  89 106.005   5.526  11.342
  686   3HG2  VAL  89          3HG2      VAL  89 107.353   5.751  10.229
  687    H    VAL  90           H        VAL  90 106.112   4.034   6.608
  688    HA   VAL  90           HA       VAL  90 103.781   2.741   5.740
  689    HB   VAL  90           HB       VAL  90 106.289   3.554   4.238
  690   1HG1  VAL  90          1HG1      VAL  90 104.915   2.113   2.832
  691   2HG1  VAL  90          2HG1      VAL  90 104.736   3.782   2.291
  692   3HG1  VAL  90          3HG1      VAL  90 103.467   3.027   3.256
  693   1HG2  VAL  90          1HG2      VAL  90 105.606   5.684   4.538
  694   2HG2  VAL  90          2HG2      VAL  90 104.419   5.077   5.692
  695   3HG2  VAL  90          3HG2      VAL  90 103.974   5.291   4.000
  696    H    LEU  91           H        LEU  91 107.170   1.649   5.407
  697    HA   LEU  91           HA       LEU  91 106.614  -0.793   4.012
  698   1HB   LEU  91          2HB       LEU  91 108.835   0.396   5.633
  699   2HB   LEU  91          1HB       LEU  91 108.928  -1.317   5.224
  700    HG   LEU  91           HG       LEU  91 108.387  -0.548   2.804
  701   1HD1  LEU  91          1HD1      LEU  91 109.338   2.041   4.068
  702   2HD1  LEU  91          2HD1      LEU  91 107.756   1.752   3.342
  703   3HD1  LEU  91          3HD1      LEU  91 109.202   1.762   2.331
  704   1HD2  LEU  91          1HD2      LEU  91 110.605  -1.391   3.717
  705   2HD2  LEU  91          2HD2      LEU  91 111.057   0.297   3.962
  706   3HD2  LEU  91          3HD2      LEU  91 110.736  -0.304   2.335
  707    H    HIS  92           H        HIS  92 106.282   0.086   7.371
  708    HA   HIS  92           HA       HIS  92 106.423  -2.630   8.434
  709   1HB   HIS  92          2HB       HIS  92 106.670  -0.133   9.439
  710   2HB   HIS  92          1HB       HIS  92 104.986  -0.448   9.859
  711    HD1  HIS  92           HD1      HIS  92 106.564  -0.291  12.282
  712    HD2  HIS  92           HD2      HIS  92 106.514  -3.828  10.076
  713    HE1  HIS  92           HE1      HIS  92 107.295  -2.130  13.861
  714    H    ARG  93           H        ARG  93 103.684  -0.316   8.310
  715    HA   ARG  93           HA       ARG  93 101.616  -2.141   8.892
  716   1HB   ARG  93          2HB       ARG  93 100.190  -0.425   7.753
  717   2HB   ARG  93          1HB       ARG  93 101.366   0.290   8.857
  718   1HG   ARG  93          2HG       ARG  93 102.828   0.239   6.570
  719   2HG   ARG  93          1HG       ARG  93 101.212   0.446   5.900
  720   1HD   ARG  93          2HD       ARG  93 101.173   2.232   7.996
  721   2HD   ARG  93          1HD       ARG  93 102.852   2.353   7.435
  722    HE   ARG  93           HE       ARG  93 101.461   2.352   5.075
  723   1HH1  ARG  93          1HH2      ARG  93  99.501   3.485   7.370
  724   2HH1  ARG  93          2HH2      ARG  93  99.550   5.158   6.928
  725   1HH2  ARG  93          2HH1      ARG  93 102.244   4.780   4.776
  726   2HH2  ARG  93          1HH1      ARG  93 101.106   5.892   5.459
  727    H    ALA  94           H        ALA  94 103.214  -1.488   5.797
  728    HA   ALA  94           HA       ALA  94 101.356  -2.896   4.138
  729   1HB   ALA  94          1HB       ALA  94 103.520  -1.262   3.812
  730   2HB   ALA  94          2HB       ALA  94 102.797  -2.202   2.507
  731   3HB   ALA  94          3HB       ALA  94 104.207  -2.824   3.367
  732    H    GLY  95           H        GLY  95 104.235  -3.874   5.951
  733   1HA   GLY  95          2HA       GLY  95 104.309  -6.197   6.818
  734   2HA   GLY  95          1HA       GLY  95 103.574  -6.718   5.301
  735    H    ALA  96           H        ALA  96 106.298  -4.489   5.891
  736    HA   ALA  96           HA       ALA  96 107.901  -6.035   3.915
  737   1HB   ALA  96          1HB       ALA  96 108.640  -3.437   5.260
  738   2HB   ALA  96          2HB       ALA  96 107.444  -3.471   3.963
  739   3HB   ALA  96          3HB       ALA  96 109.095  -4.011   3.655
  740    H    ARG  97           H        ARG  97 109.765  -7.129   4.517
  741    HA   ARG  97           HA       ARG  97 110.208  -7.733   7.321
  742   1HB   ARG  97          2HB       ARG  97 110.572  -9.279   5.393
  743   2HB   ARG  97          1HB       ARG  97 111.913  -8.263   4.865
  744   1HG   ARG  97          2HG       ARG  97 113.034  -8.642   7.052
  745   2HG   ARG  97          1HG       ARG  97 111.718  -9.719   7.517
  746   1HD   ARG  97          2HD       ARG  97 112.536 -10.644   4.985
  747   2HD   ARG  97          1HD       ARG  97 114.037 -10.300   5.867
  748    HE   ARG  97           HE       ARG  97 112.301 -11.587   7.690
  749   1HH1  ARG  97          1HH2      ARG  97 111.683 -13.100   5.105
  750   2HH1  ARG  97          2HH2      ARG  97 112.813 -14.409   5.213
  751   1HH2  ARG  97          2HH1      ARG  97 114.732 -12.902   7.675
  752   2HH2  ARG  97          1HH1      ARG  97 114.538 -14.297   6.666
  753    H    LEU  98           H        LEU  98 112.071  -7.155   8.579
  754    HA   LEU  98           HA       LEU  98 113.626  -4.804   7.543
  755   1HB   LEU  98          2HB       LEU  98 111.980  -5.262   9.967
  756   2HB   LEU  98          1HB       LEU  98 113.509  -4.431  10.235
  757    HG   LEU  98           HG       LEU  98 112.665  -3.092   8.052
  758   1HD1  LEU  98          1HD1      LEU  98 110.130  -2.668   8.834
  759   2HD1  LEU  98          2HD1      LEU  98 110.277  -4.360   9.311
  760   3HD1  LEU  98          3HD1      LEU  98 110.547  -3.890   7.631
  761   1HD2  LEU  98          1HD2      LEU  98 111.387  -2.159  10.559
  762   2HD2  LEU  98          2HD2      LEU  98 112.541  -1.335   9.510
  763   3HD2  LEU  98          3HD2      LEU  98 113.108  -2.522  10.684
  764    H    ASP  99           H        ASP  99 113.778  -7.967   8.815
  765    HA   ASP  99           HA       ASP  99 116.405  -7.596  10.132
  766   1HB   ASP  99          2HB       ASP  99 116.067  -9.982  10.702
  767   2HB   ASP  99          1HB       ASP  99 114.649  -9.022  11.119
  768    H    VAL 100           H        VAL 100 116.363  -7.065   7.286
  769    HA   VAL 100           HA       VAL 100 117.675  -9.465   6.100
  770    HB   VAL 100           HB       VAL 100 115.826  -8.307   4.902
  771   1HG1  VAL 100          1HG1      VAL 100 115.788  -6.057   4.536
  772   2HG1  VAL 100          2HG1      VAL 100 117.521  -5.989   4.208
  773   3HG1  VAL 100          3HG1      VAL 100 116.941  -6.002   5.871
  774   1HG2  VAL 100          1HG2      VAL 100 116.814  -8.714   2.891
  775   2HG2  VAL 100          2HG2      VAL 100 118.189  -9.225   3.867
  776   3HG2  VAL 100          3HG2      VAL 100 118.138  -7.592   3.204
  777    H    CYS 101           H        CYS 101 119.828  -9.328   5.289
  778    HA   CYS 101           HA       CYS 101 121.462  -7.140   6.483
  779   1HB   CYS 101          2HB       CYS 101 122.136  -9.837   5.258
  780   2HB   CYS 101          1HB       CYS 101 123.309  -8.749   5.998
  781    HG   CYS 101           HG       CYS 101 122.351  -9.227   8.297
  782    H    ASP 102           H        ASP 102 123.041  -6.021   5.152
  783    HA   ASP 102           HA       ASP 102 122.135  -5.542   2.402
  784   1HB   ASP 102          2HB       ASP 102 123.821  -3.768   2.503
  785   2HB   ASP 102          1HB       ASP 102 122.900  -3.780   4.005
  786    H    ALA 103           H        ALA 103 122.823  -8.124   2.311
  787    HA   ALA 103           HA       ALA 103 124.152  -9.652   1.107
  788   1HB   ALA 103          1HB       ALA 103 124.606  -7.026   0.009
  789   2HB   ALA 103          2HB       ALA 103 124.663  -8.583  -0.813
  790   3HB   ALA 103          3HB       ALA 103 126.110  -7.942  -0.039
  791    H    TRP 104           H        TRP 104 126.509  -7.102   1.986
  792    HA   TRP 104           HA       TRP 104 128.596  -8.883   2.742
  793   1HB   TRP 104          2HB       TRP 104 128.033  -6.116   3.847
  794   2HB   TRP 104          1HB       TRP 104 129.605  -6.892   3.683
  795    HD1  TRP 104           HD1      TRP 104 128.838  -4.105   2.297
  796    HE1  TRP 104           HE1      TRP 104 129.035  -3.891  -0.262
  797    HE3  TRP 104           HE3      TRP 104 128.666  -9.044   0.966
  798    HZ2  TRP 104           HZ2      TRP 104 129.110  -5.577  -2.565
  799    HZ3  TRP 104           HZ3      TRP 104 128.803  -9.703  -1.415
  800    HH2  TRP 104           HH2      TRP 104 129.024  -7.978  -3.182
  801    H    GLY 105           H        GLY 105 126.537  -6.958   4.969
  802   1HA   GLY 105          2HA       GLY 105 125.696  -8.988   6.678
  803   2HA   GLY 105          1HA       GLY 105 127.308  -8.569   7.253
  804    H    ARG 106           H        ARG 106 126.962  -5.721   6.407
  805    HA   ARG 106           HA       ARG 106 126.077  -4.590   8.846
  806   1HB   ARG 106          2HB       ARG 106 126.816  -3.753   6.134
  807   2HB   ARG 106          1HB       ARG 106 125.660  -2.657   6.891
  808   1HG   ARG 106          2HG       ARG 106 127.222  -2.807   8.968
  809   2HG   ARG 106          1HG       ARG 106 128.420  -3.417   7.825
  810   1HD   ARG 106          2HD       ARG 106 127.727  -1.316   6.393
  811   2HD   ARG 106          1HD       ARG 106 127.152  -0.692   7.952
  812    HE   ARG 106           HE       ARG 106 129.772  -1.851   8.255
  813   1HH1  ARG 106          2HH1      ARG 106 128.997   0.362   5.929
  814   2HH1  ARG 106          1HH1      ARG 106 129.916   1.675   6.585
  815   1HH2  ARG 106          1HH2      ARG 106 130.573   0.065   9.585
  816   2HH2  ARG 106          2HH2      ARG 106 130.810   1.506   8.655
  817    H    LEU 107           H        LEU 107 124.040  -4.432   9.676
  818    HA   LEU 107           HA       LEU 107 121.684  -5.086   8.064
  819   1HB   LEU 107          2HB       LEU 107 122.181  -4.205  10.923
  820   2HB   LEU 107          1HB       LEU 107 120.580  -4.619  10.312
  821    HG   LEU 107           HG       LEU 107 122.989  -6.461  10.261
  822   1HD1  LEU 107          1HD1      LEU 107 122.257  -6.205  12.539
  823   2HD1  LEU 107          2HD1      LEU 107 121.603  -7.736  11.956
  824   3HD1  LEU 107          3HD1      LEU 107 120.561  -6.318  12.066
  825   1HD2  LEU 107          1HD2      LEU 107 121.655  -7.209   8.505
  826   2HD2  LEU 107          2HD2      LEU 107 120.166  -6.634   9.255
  827   3HD2  LEU 107          3HD2      LEU 107 120.946  -8.097   9.854
  828    HA   PRO 108           HA       PRO 108 120.377  -1.016   7.043
  829   1HB   PRO 108          2HB       PRO 108 117.696  -1.038   7.616
  830   2HB   PRO 108          1HB       PRO 108 118.396  -1.884   6.223
  831   1HG   PRO 108          2HG       PRO 108 117.576  -2.964   8.874
  832   2HG   PRO 108          1HG       PRO 108 117.374  -3.664   7.260
  833   1HD   PRO 108          2HD       PRO 108 119.311  -4.466   8.977
  834   2HD   PRO 108          1HD       PRO 108 119.509  -4.511   7.212
  835    H    VAL 109           H        VAL 109 119.714  -2.192  10.268
  836    HA   VAL 109           HA       VAL 109 118.922   0.368  11.407
  837    HB   VAL 109           HB       VAL 109 118.323  -1.886  12.298
  838   1HG1  VAL 109          1HG1      VAL 109 121.256  -2.008  13.071
  839   2HG1  VAL 109          2HG1      VAL 109 120.505  -2.977  11.805
  840   3HG1  VAL 109          3HG1      VAL 109 120.024  -3.198  13.486
  841   1HG2  VAL 109          1HG2      VAL 109 118.142  -0.106  13.872
  842   2HG2  VAL 109          2HG2      VAL 109 119.892   0.016  14.050
  843   3HG2  VAL 109          3HG2      VAL 109 119.032  -1.375  14.712
  844    H    ASP 110           H        ASP 110 121.961  -1.428  11.063
  845    HA   ASP 110           HA       ASP 110 123.560   0.265  12.757
  846   1HB   ASP 110          2HB       ASP 110 125.059  -1.361  12.253
  847   2HB   ASP 110          1HB       ASP 110 123.804  -2.099  11.263
  848    H    LEU 111           H        LEU 111 122.885   0.285   9.252
  849    HA   LEU 111           HA       LEU 111 124.632   2.431   8.535
  850   1HB   LEU 111          2HB       LEU 111 122.149   1.137   7.457
  851   2HB   LEU 111          1HB       LEU 111 122.721   2.624   6.700
  852    HG   LEU 111           HG       LEU 111 124.813   0.599   7.229
  853   1HD1  LEU 111          1HD1      LEU 111 124.189  -0.902   5.493
  854   2HD1  LEU 111          2HD1      LEU 111 122.898   0.161   4.933
  855   3HD1  LEU 111          3HD1      LEU 111 122.733  -0.695   6.466
  856   1HD2  LEU 111          1HD2      LEU 111 124.015   2.435   4.959
  857   2HD2  LEU 111          2HD2      LEU 111 125.346   1.286   4.824
  858   3HD2  LEU 111          3HD2      LEU 111 125.415   2.578   6.024
  859    H    ALA 112           H        ALA 112 121.408   2.375   9.953
  860    HA   ALA 112           HA       ALA 112 120.693   5.117   9.492
  861   1HB   ALA 112          1HB       ALA 112 119.195   4.608  11.514
  862   2HB   ALA 112          2HB       ALA 112 119.963   3.022  11.551
  863   3HB   ALA 112          3HB       ALA 112 119.034   3.517  10.137
  864    H    GLU 113           H        GLU 113 121.471   3.761  12.695
  865    HA   GLU 113           HA       GLU 113 122.156   6.161  13.954
  866   1HB   GLU 113          2HB       GLU 113 123.492   4.584  15.475
  867   2HB   GLU 113          1HB       GLU 113 121.789   4.194  15.238
  868   1HG   GLU 113          2HG       GLU 113 122.246   2.366  13.910
  869   2HG   GLU 113          1HG       GLU 113 123.780   3.019  13.342
  870    H    GLU 114           H        GLU 114 124.036   4.300  11.684
  871    HA   GLU 114           HA       GLU 114 126.662   5.228  12.401
  872   1HB   GLU 114          2HB       GLU 114 125.278   3.848  10.182
  873   2HB   GLU 114          1HB       GLU 114 126.750   4.699   9.715
  874   1HG   GLU 114          2HG       GLU 114 127.853   3.549  11.738
  875   2HG   GLU 114          1HG       GLU 114 126.437   2.498  11.761
  876    H    GLN 115           H        GLN 115 124.907   6.139   9.421
  877    HA   GLN 115           HA       GLN 115 126.395   8.512   8.940
  878   1HB   GLN 115          2HB       GLN 115 123.743   7.381   8.090
  879   2HB   GLN 115          1HB       GLN 115 124.200   9.003   7.568
  880   1HG   GLN 115          2HG       GLN 115 126.497   7.455   7.141
  881   2HG   GLN 115          1HG       GLN 115 125.164   6.427   6.616
  882   1HE2  GLN 115          1HE2      GLN 115 126.748   9.562   6.045
  883   2HE2  GLN 115          2HE2      GLN 115 126.025   9.844   4.535
  884    H    GLY 116           H        GLY 116 122.951   9.095   9.249
  885   1HA   GLY 116          2HA       GLY 116 123.284  10.601  11.766
  886   2HA   GLY 116          1HA       GLY 116 122.914  11.562  10.334
  887    H    HIS 117           H        HIS 117 121.679   8.309  10.795
  888    HA   HIS 117           HA       HIS 117 118.910   9.457  10.982
  889   1HB   HIS 117          2HB       HIS 117 119.550   6.625  10.192
  890   2HB   HIS 117          1HB       HIS 117 118.223   7.653   9.660
  891    HD1  HIS 117           HD1      HIS 117 119.247   9.945   8.310
  892    HD2  HIS 117           HD2      HIS 117 121.453   6.409   8.210
  893    HE1  HIS 117           HE1      HIS 117 120.829  10.142   6.342
  894    H    ARG 118           H        ARG 118 119.309   9.623  13.381
  895    HA   ARG 118           HA       ARG 118 119.685   7.161  14.916
  896   1HB   ARG 118          2HB       ARG 118 120.366   9.567  15.498
  897   2HB   ARG 118          1HB       ARG 118 118.664   9.848  15.864
  898   1HG   ARG 118          2HG       ARG 118 118.949   7.635  17.298
  899   2HG   ARG 118          1HG       ARG 118 120.646   8.113  17.288
  900   1HD   ARG 118          2HD       ARG 118 118.368   9.942  18.132
  901   2HD   ARG 118          1HD       ARG 118 119.418   9.056  19.256
  902    HE   ARG 118           HE       ARG 118 120.191  11.402  17.706
  903   1HH1  ARG 118          2HH1      ARG 118 121.070   9.593  20.298
  904   2HH1  ARG 118          1HH1      ARG 118 122.775   9.595  19.992
  905   1HH2  ARG 118          1HH2      ARG 118 122.469  10.926  16.804
  906   2HH2  ARG 118          2HH2      ARG 118 123.568  10.351  18.014
  907    H    ASP 119           H        ASP 119 116.957   9.334  14.164
  908    HA   ASP 119           HA       ASP 119 114.962   8.054  15.740
  909   1HB   ASP 119          2HB       ASP 119 113.425   9.200  14.163
  910   2HB   ASP 119          1HB       ASP 119 114.752  10.257  14.643
  911    H    ILE 120           H        ILE 120 116.164   7.348  12.471
  912    HA   ILE 120           HA       ILE 120 114.205   5.215  12.015
  913    HB   ILE 120           HB       ILE 120 115.552   6.859  10.408
  914   1HG1  ILE 120          2HG1      ILE 120 115.305   4.053   9.391
  915   2HG1  ILE 120          1HG1      ILE 120 113.857   4.873   9.978
  916   1HG2  ILE 120          1HG2      ILE 120 117.770   5.960  11.110
  917   2HG2  ILE 120          2HG2      ILE 120 117.483   5.790   9.380
  918   3HG2  ILE 120          3HG2      ILE 120 117.313   4.394  10.443
  919   1HD1  ILE 120          1HD1      ILE 120 115.670   6.341   8.100
  920   2HD1  ILE 120          2HD1      ILE 120 113.926   6.487   8.314
  921   3HD1  ILE 120          3HD1      ILE 120 114.595   5.107   7.445
  922    H    ALA 121           H        ALA 121 117.519   5.493  13.167
  923    HA   ALA 121           HA       ALA 121 118.306   2.740  12.997
  924   1HB   ALA 121          1HB       ALA 121 119.034   4.879  15.028
  925   2HB   ALA 121          2HB       ALA 121 119.757   4.735  13.427
  926   3HB   ALA 121          3HB       ALA 121 120.000   3.461  14.620
  927    H    ARG 122           H        ARG 122 117.076   4.624  15.747
  928    HA   ARG 122           HA       ARG 122 116.816   2.504  17.606
  929   1HB   ARG 122          2HB       ARG 122 116.694   4.600  18.535
  930   2HB   ARG 122          1HB       ARG 122 115.827   5.269  17.161
  931   1HG   ARG 122          2HG       ARG 122 113.831   3.819  18.021
  932   2HG   ARG 122          1HG       ARG 122 114.739   3.781  19.535
  933   1HD   ARG 122          2HD       ARG 122 114.873   6.288  19.452
  934   2HD   ARG 122          1HD       ARG 122 113.798   6.248  18.040
  935    HE   ARG 122           HE       ARG 122 113.007   5.679  20.799
  936   1HH1  ARG 122          2HH1      ARG 122 111.806   6.609  17.902
  937   2HH1  ARG 122          1HH1      ARG 122 110.408   5.588  17.906
  938   1HH2  ARG 122          1HH2      ARG 122 111.463   3.711  20.626
  939   2HH2  ARG 122          2HH2      ARG 122 110.215   3.944  19.449
  940    H    TYR 123           H        TYR 123 114.262   3.953  15.524
  941    HA   TYR 123           HA       TYR 123 112.191   2.127  16.246
  942   1HB   TYR 123          2HB       TYR 123 111.945   4.301  15.049
  943   2HB   TYR 123          1HB       TYR 123 112.681   3.573  13.621
  944    HD1  TYR 123           HD1      TYR 123 111.359   2.405  12.071
  945    HD2  TYR 123           HD2      TYR 123 109.843   3.131  16.023
  946    HE1  TYR 123           HE1      TYR 123 109.155   1.497  11.391
  947    HE2  TYR 123           HE2      TYR 123 107.637   2.222  15.344
  948    HH   TYR 123           HH       TYR 123 106.792   1.688  12.100
  949    H    LEU 124           H        LEU 124 114.884   1.814  14.013
  950    HA   LEU 124           HA       LEU 124 113.878  -0.371  12.442
  951   1HB   LEU 124          2HB       LEU 124 116.409   1.044  12.979
  952   2HB   LEU 124          1HB       LEU 124 116.614  -0.634  12.475
  953    HG   LEU 124           HG       LEU 124 114.786   1.261  10.995
  954   1HD1  LEU 124          1HD1      LEU 124 117.369   1.879  11.212
  955   2HD1  LEU 124          2HD1      LEU 124 116.521   2.036   9.674
  956   3HD1  LEU 124          3HD1      LEU 124 117.528   0.623   9.983
  957   1HD2  LEU 124          1HD2      LEU 124 115.264  -0.382   9.154
  958   2HD2  LEU 124          2HD2      LEU 124 114.446  -1.101  10.540
  959   3HD2  LEU 124          3HD2      LEU 124 116.177  -1.349  10.314
  960    H    HIS 125           H        HIS 125 116.318  -0.472  15.093
  961    HA   HIS 125           HA       HIS 125 116.415  -3.279  15.366
  962   1HB   HIS 125          2HB       HIS 125 117.549  -2.813  17.396
  963   2HB   HIS 125          1HB       HIS 125 117.842  -1.396  16.396
  964    HD1  HIS 125           HD1      HIS 125 117.524   0.720  17.646
  965    HD2  HIS 125           HD2      HIS 125 115.001  -2.269  19.087
  966    HE1  HIS 125           HE1      HIS 125 116.229   1.741  19.569
  967    H    ALA 126           H        ALA 126 113.956  -1.035  16.423
  968    HA   ALA 126           HA       ALA 126 112.709  -2.816  18.365
  969   1HB   ALA 126          1HB       ALA 126 110.909  -1.064  18.207
  970   2HB   ALA 126          2HB       ALA 126 111.815  -0.322  16.888
  971   3HB   ALA 126          3HB       ALA 126 112.514  -0.394  18.505
  972    H    ALA 127           H        ALA 127 112.469  -2.328  14.898
  973    HA   ALA 127           HA       ALA 127 110.033  -4.066  14.800
  974   1HB   ALA 127          1HB       ALA 127 111.243  -2.509  12.521
  975   2HB   ALA 127          2HB       ALA 127 110.278  -1.693  13.752
  976   3HB   ALA 127          3HB       ALA 127 109.559  -2.968  12.768
  977    H    THR 128           H        THR 128 113.424  -3.923  13.906
  978    HA   THR 128           HA       THR 128 113.189  -6.252  12.090
  979    HB   THR 128           HB       THR 128 114.624  -4.280  11.600
  980    HG1  THR 128           HG1      THR 128 116.144  -6.607  12.136
  981   1HG2  THR 128          1HG2      THR 128 116.023  -3.408  13.125
  982   2HG2  THR 128          2HG2      THR 128 116.761  -4.979  13.433
  983   3HG2  THR 128          3HG2      THR 128 115.300  -4.506  14.301
  984    H    GLY 129           H        GLY 129 112.940  -6.201  15.260
  985   1HA   GLY 129          2HA       GLY 129 114.134  -8.824  15.629
  986   2HA   GLY 129          1HA       GLY 129 115.015  -7.567  16.501
  987    H    ASP 130           HN       ASP 130 113.483  -6.046  17.790
  988    HA   ASP 130           HA       ASP 130 112.208  -7.434  19.854
  989   1HB   ASP 130          2HB       ASP 130 112.184  -4.674  18.729
  990   2HB   ASP 130          1HB       ASP 130 110.954  -5.062  19.931
  Start of MODEL    4
    1   1H    GLY  -5          1H        GLY  -5  96.699   7.252 -34.260
    2   2H    GLY  -5          2H        GLY  -5  95.530   8.359 -33.713
    3   3H    GLY  -5          3H        GLY  -5  95.208   7.375 -35.059
    4   1HA   GLY  -5          2HA       GLY  -5  95.478   6.530 -32.230
    5   2HA   GLY  -5          1HA       GLY  -5  94.034   6.443 -33.240
    6    H    SER  -4           H        SER  -4  94.065   4.106 -32.729
    7    HA   SER  -4           HA       SER  -4  96.254   2.511 -33.927
    8   1HB   SER  -4          2HB       SER  -4  95.403   1.843 -31.771
    9   2HB   SER  -4          1HB       SER  -4  93.739   1.908 -32.345
   10    HG   SER  -4           HG       SER  -4  95.687  -0.030 -32.686
   11    HA   PRO  -3           HA       PRO  -3  94.036   1.831 -37.679
   12   1HB   PRO  -3          2HB       PRO  -3  95.124  -0.558 -38.448
   13   2HB   PRO  -3          1HB       PRO  -3  96.004   0.979 -38.547
   14   1HG   PRO  -3          2HG       PRO  -3  96.211  -1.194 -36.532
   15   2HG   PRO  -3          1HG       PRO  -3  97.475  -0.159 -37.213
   16   1HD   PRO  -3          2HD       PRO  -3  96.360   0.203 -34.733
   17   2HD   PRO  -3          1HD       PRO  -3  97.117   1.497 -35.687
   18    H    GLY  -2           H        GLY  -2  94.236  -0.876 -35.373
   19   1HA   GLY  -2          2HA       GLY  -2  92.347  -2.070 -34.506
   20   2HA   GLY  -2          1HA       GLY  -2  91.360  -1.409 -35.811
   21    H    ILE  -1           H        ILE  -1  94.247  -3.508 -35.470
   22    HA   ILE  -1           HA       ILE  -1  92.938  -5.622 -37.031
   23    HB   ILE  -1           HB       ILE  -1  93.615  -4.200 -38.845
   24   1HG1  ILE  -1          2HG1      ILE  -1  95.294  -5.554 -40.005
   25   2HG1  ILE  -1          1HG1      ILE  -1  95.806  -6.267 -38.477
   26   1HG2  ILE  -1          1HG2      ILE  -1  95.481  -2.885 -38.885
   27   2HG2  ILE  -1          2HG2      ILE  -1  96.492  -4.116 -38.131
   28   3HG2  ILE  -1          3HG2      ILE  -1  95.431  -3.119 -37.139
   29   1HD1  ILE  -1          1HD1      ILE  -1  92.917  -6.460 -39.243
   30   2HD1  ILE  -1          2HD1      ILE  -1  93.897  -7.570 -38.286
   31   3HD1  ILE  -1          3HD1      ILE  -1  94.074  -7.526 -40.040
   32    H    HIS   0           H        HIS   0  96.105  -4.419 -35.844
   33    HA   HIS   0           HA       HIS   0  96.526  -6.674 -34.106
   34   1HB   HIS   0          2HB       HIS   0  96.684  -7.691 -36.436
   35   2HB   HIS   0          1HB       HIS   0  98.126  -6.706 -36.682
   36    HD1  HIS   0           HD1      HIS   0 100.056  -7.074 -34.764
   37    HD2  HIS   0           HD2      HIS   0  97.202 -10.088 -35.150
   38    HE1  HIS   0           HE1      HIS   0 101.015  -9.121 -33.619
   39    H    MET   1           H        MET   1  98.172  -6.133 -32.686
   40    HA   MET   1           HA       MET   1 100.492  -4.565 -33.449
   41   1HB   MET   1          2HB       MET   1  99.845  -2.524 -32.185
   42   2HB   MET   1          1HB       MET   1  98.740  -2.832 -33.524
   43   1HG   MET   1          2HG       MET   1  97.170  -2.509 -31.880
   44   2HG   MET   1          1HG       MET   1  97.467  -4.225 -31.604
   45   1HE   MET   1          1HE       MET   1  98.855  -0.616 -29.183
   46   2HE   MET   1          2HE       MET   1  97.896  -0.670 -30.660
   47   3HE   MET   1          3HE       MET   1  99.637  -0.928 -30.738
   48    H    LEU   2           H        LEU   2 102.029  -4.503 -31.734
   49    HA   LEU   2           HA       LEU   2 101.660  -6.491 -29.638
   50   1HB   LEU   2          2HB       LEU   2 103.800  -4.503 -30.422
   51   2HB   LEU   2          1HB       LEU   2 103.979  -5.551 -29.013
   52    HG   LEU   2           HG       LEU   2 103.342  -7.466 -30.685
   53   1HD1  LEU   2          1HD1      LEU   2 104.416  -6.800 -32.972
   54   2HD1  LEU   2          2HD1      LEU   2 104.064  -5.148 -32.468
   55   3HD1  LEU   2          3HD1      LEU   2 102.753  -6.314 -32.646
   56   1HD2  LEU   2          1HD2      LEU   2 105.929  -6.031 -30.274
   57   2HD2  LEU   2          2HD2      LEU   2 105.884  -7.279 -31.520
   58   3HD2  LEU   2          3HD2      LEU   2 105.484  -7.684 -29.852
   59    H    GLY   3           H        GLY   3 101.840  -6.012 -27.319
   60   1HA   GLY   3          2HA       GLY   3 100.684  -3.341 -26.642
   61   2HA   GLY   3          1HA       GLY   3 100.447  -4.804 -25.683
   62    H    GLY   4           H        GLY   4 102.226  -1.972 -25.896
   63   1HA   GLY   4          2HA       GLY   4 104.091  -2.959 -23.808
   64   2HA   GLY   4          1HA       GLY   4 104.792  -2.187 -25.232
   65    H    SER   5           H        SER   5 102.284  -1.578 -22.752
   66    HA   SER   5           HA       SER   5 102.126   1.250 -23.128
   67   1HB   SER   5          2HB       SER   5 101.317   1.060 -20.664
   68   2HB   SER   5          1HB       SER   5 100.424   0.166 -21.891
   69    HG   SER   5           HG       SER   5 100.837  -1.370 -20.448
   70    H    SER   6           H        SER   6 102.695   2.504 -20.772
   71    HA   SER   6           HA       SER   6 105.665   2.488 -20.737
   72   1HB   SER   6          2HB       SER   6 103.456   4.349 -19.874
   73   2HB   SER   6          1HB       SER   6 105.104   4.602 -19.309
   74    HG   SER   6           HG       SER   6 105.714   4.526 -21.571
   75    H    ASP   7           H        ASP   7 106.719   1.431 -19.104
   76    HA   ASP   7           HA       ASP   7 105.249   0.995 -16.524
   77   1HB   ASP   7          2HB       ASP   7 107.137  -0.713 -18.155
   78   2HB   ASP   7          1HB       ASP   7 106.810  -1.061 -16.457
   79    H    ALA   8           H        ALA   8 106.954   0.517 -14.705
   80    HA   ALA   8           HA       ALA   8 108.705   1.353 -13.359
   81   1HB   ALA   8          1HB       ALA   8 109.784   0.411 -15.609
   82   2HB   ALA   8          2HB       ALA   8 110.769   1.261 -14.418
   83   3HB   ALA   8          3HB       ALA   8 110.187   2.111 -15.848
   84    H    GLY   9           H        GLY   9 106.620   3.228 -14.744
   85   1HA   GLY   9          2HA       GLY   9 108.022   5.772 -14.983
   86   2HA   GLY   9          1HA       GLY   9 106.272   5.551 -14.988
   87    H    LEU  10           H        LEU  10 106.758   3.899 -12.389
   88    HA   LEU  10           HA       LEU  10 106.242   6.119 -10.558
   89   1HB   LEU  10          2HB       LEU  10 106.713   3.162 -10.047
   90   2HB   LEU  10          1HB       LEU  10 105.903   4.294  -8.965
   91    HG   LEU  10           HG       LEU  10 104.938   3.593 -11.753
   92   1HD1  LEU  10          1HD1      LEU  10 103.509   2.831  -9.234
   93   2HD1  LEU  10          2HD1      LEU  10 104.866   1.841  -9.767
   94   3HD1  LEU  10          3HD1      LEU  10 103.468   2.060 -10.819
   95   1HD2  LEU  10          1HD2      LEU  10 103.818   5.276  -9.497
   96   2HD2  LEU  10          2HD2      LEU  10 102.838   4.713 -10.851
   97   3HD2  LEU  10          3HD2      LEU  10 104.200   5.796 -11.138
   98    H    ALA  11           H        ALA  11 108.842   3.715 -11.008
   99    HA   ALA  11           HA       ALA  11 110.502   4.549  -8.837
  100   1HB   ALA  11          1HB       ALA  11 110.755   2.433 -10.038
  101   2HB   ALA  11          2HB       ALA  11 112.253   3.355 -10.180
  102   3HB   ALA  11          3HB       ALA  11 111.122   3.296 -11.533
  103    H    THR  12           H        THR  12 110.477   5.526 -12.283
  104    HA   THR  12           HA       THR  12 112.705   7.282 -12.239
  105    HB   THR  12           HB       THR  12 111.528   8.313 -14.196
  106    HG1  THR  12           HG1      THR  12 109.444   6.492 -13.662
  107   1HG2  THR  12          1HG2      THR  12 111.327   5.292 -14.060
  108   2HG2  THR  12          2HG2      THR  12 112.790   6.199 -14.442
  109   3HG2  THR  12          3HG2      THR  12 111.405   6.258 -15.532
  110    H    ALA  13           H        ALA  13 109.240   8.143 -11.852
  111    HA   ALA  13           HA       ALA  13 109.745  10.870 -11.078
  112   1HB   ALA  13          1HB       ALA  13 107.300  10.324 -10.067
  113   2HB   ALA  13          2HB       ALA  13 107.493   8.919 -11.116
  114   3HB   ALA  13          3HB       ALA  13 107.577  10.545 -11.795
  115    H    ALA  14           H        ALA  14 109.491   7.839  -9.283
  116    HA   ALA  14           HA       ALA  14 109.244   8.941  -6.644
  117   1HB   ALA  14          1HB       ALA  14 108.747   6.649  -6.960
  118   2HB   ALA  14          2HB       ALA  14 110.292   6.618  -6.109
  119   3HB   ALA  14          3HB       ALA  14 110.239   6.361  -7.853
  120    H    ALA  15           H        ALA  15 112.126   7.795  -8.448
  121    HA   ALA  15           HA       ALA  15 114.051   8.515  -6.451
  122   1HB   ALA  15          1HB       ALA  15 114.722   8.637  -9.358
  123   2HB   ALA  15          2HB       ALA  15 114.062   7.118  -8.749
  124   3HB   ALA  15          3HB       ALA  15 115.544   7.776  -8.055
  125    H    ARG  16           H        ARG  16 112.342  10.398  -8.853
  126    HA   ARG  16           HA       ARG  16 114.195  12.697  -8.617
  127   1HB   ARG  16          2HB       ARG  16 111.706  12.020 -10.191
  128   2HB   ARG  16          1HB       ARG  16 112.399  13.642 -10.218
  129   1HG   ARG  16          2HG       ARG  16 114.641  12.262 -10.691
  130   2HG   ARG  16          1HG       ARG  16 113.484  11.099 -11.340
  131   1HD   ARG  16          2HD       ARG  16 112.463  13.097 -12.628
  132   2HD   ARG  16          1HD       ARG  16 113.970  13.946 -12.233
  133    HE   ARG  16           HE       ARG  16 115.134  11.886 -13.255
  134   1HH1  ARG  16          2HH1      ARG  16 112.860  13.813 -14.724
  135   2HH1  ARG  16          1HH1      ARG  16 112.507  12.733 -16.031
  136   1HH2  ARG  16          1HH2      ARG  16 114.298  10.088 -14.680
  137   2HH2  ARG  16          2HH2      ARG  16 113.322  10.624 -16.006
  138    H    GLY  17           H        GLY  17 111.806  11.494  -6.672
  139   1HA   GLY  17          2HA       GLY  17 110.574  12.466  -4.926
  140   2HA   GLY  17          1HA       GLY  17 111.455  13.963  -5.233
  141    H    GLN  18           H        GLN  18 109.293  12.085  -7.363
  142    HA   GLN  18           HA       GLN  18 107.686  14.586  -7.754
  143   1HB   GLN  18          2HB       GLN  18 108.395  12.200  -9.461
  144   2HB   GLN  18          1HB       GLN  18 107.044  13.247  -9.888
  145   1HG   GLN  18          2HG       GLN  18 108.763  15.188  -9.573
  146   2HG   GLN  18          1HG       GLN  18 109.974  13.916  -9.749
  147   1HE2  GLN  18          1HE2      GLN  18 110.621  13.611 -11.879
  148   2HE2  GLN  18          2HE2      GLN  18 109.657  13.899 -13.246
  149    H    VAL  19           H        VAL  19 106.727  13.616  -5.559
  150    HA   VAL  19           HA       VAL  19 105.134  11.301  -5.432
  151    HB   VAL  19           HB       VAL  19 104.962  14.075  -4.239
  152   1HG1  VAL  19          1HG1      VAL  19 102.653  13.160  -4.331
  153   2HG1  VAL  19          2HG1      VAL  19 103.254  13.265  -2.680
  154   3HG1  VAL  19          3HG1      VAL  19 103.213  11.707  -3.504
  155   1HG2  VAL  19          1HG2      VAL  19 106.776  12.382  -3.644
  156   2HG2  VAL  19          2HG2      VAL  19 105.500  11.401  -2.926
  157   3HG2  VAL  19          3HG2      VAL  19 105.844  13.012  -2.287
  158    H    GLU  20           H        GLU  20 104.398  14.444  -6.903
  159    HA   GLU  20           HA       GLU  20 101.598  14.026  -7.357
  160   1HB   GLU  20          2HB       GLU  20 103.684  15.660  -8.838
  161   2HB   GLU  20          1HB       GLU  20 101.940  15.877  -8.988
  162   1HG   GLU  20          2HG       GLU  20 102.041  16.069  -6.359
  163   2HG   GLU  20          1HG       GLU  20 103.729  16.486  -6.660
  164    H    THR  21           H        THR  21 104.347  13.695  -9.650
  165    HA   THR  21           HA       THR  21 102.879  12.670 -11.843
  166    HB   THR  21           HB       THR  21 105.698  11.914 -11.027
  167    HG1  THR  21           HG1      THR  21 104.767  14.254 -12.333
  168   1HG2  THR  21          1HG2      THR  21 105.286  10.791 -13.009
  169   2HG2  THR  21          2HG2      THR  21 105.846  12.339 -13.641
  170   3HG2  THR  21          3HG2      THR  21 104.118  11.989 -13.566
  171    H    VAL  22           H        VAL  22 104.227  10.977  -9.026
  172    HA   VAL  22           HA       VAL  22 103.729   8.306 -10.052
  173    HB   VAL  22           HB       VAL  22 104.127   9.380  -7.239
  174   1HG1  VAL  22          1HG1      VAL  22 103.296   6.850  -7.983
  175   2HG1  VAL  22          2HG1      VAL  22 104.144   7.239  -6.487
  176   3HG1  VAL  22          3HG1      VAL  22 105.047   6.664  -7.887
  177   1HG2  VAL  22          1HG2      VAL  22 106.458   8.139  -8.045
  178   2HG2  VAL  22          2HG2      VAL  22 106.180   9.880  -8.079
  179   3HG2  VAL  22          3HG2      VAL  22 105.916   8.918  -9.533
  180    H    ARG  23           H        ARG  23 101.814  10.678  -8.303
  181    HA   ARG  23           HA       ARG  23  99.798   8.881  -7.287
  182   1HB   ARG  23          2HB       ARG  23  99.890  11.832  -7.958
  183   2HB   ARG  23          1HB       ARG  23  98.504  11.074  -7.173
  184   1HG   ARG  23          2HG       ARG  23 101.176  10.507  -5.995
  185   2HG   ARG  23          1HG       ARG  23 100.546  12.139  -5.776
  186   1HD   ARG  23          2HD       ARG  23  98.550  11.313  -4.702
  187   2HD   ARG  23          1HD       ARG  23  98.952   9.637  -5.128
  188    HE   ARG  23           HE       ARG  23 101.102  10.909  -3.653
  189   1HH1  ARG  23          1HH2      ARG  23  97.957  10.660  -2.668
  190   2HH1  ARG  23          2HH2      ARG  23  98.238   9.535  -1.382
  191   1HH2  ARG  23          2HH1      ARG  23 101.518   8.892  -2.309
  192   2HH2  ARG  23          1HH1      ARG  23 100.257   8.533  -1.177
  193    H    GLN  24           H        GLN  24  99.957  10.895 -10.233
  194    HA   GLN  24           HA       GLN  24  97.378  10.035 -11.241
  195   1HB   GLN  24          2HB       GLN  24  98.796  12.157 -11.689
  196   2HB   GLN  24          1HB       GLN  24  99.674  11.155 -12.846
  197   1HG   GLN  24          2HG       GLN  24  96.662  11.355 -12.890
  198   2HG   GLN  24          1HG       GLN  24  97.681  12.506 -13.757
  199   1HE2  GLN  24          1HE2      GLN  24  95.876   9.962 -14.503
  200   2HE2  GLN  24          2HE2      GLN  24  96.849   9.178 -15.652
  201    H    LEU  25           H        LEU  25 100.690   9.379 -12.471
  202    HA   LEU  25           HA       LEU  25 100.006   7.450 -14.406
  203   1HB   LEU  25          2HB       LEU  25 102.266   8.651 -13.446
  204   2HB   LEU  25          1HB       LEU  25 102.505   6.993 -12.895
  205    HG   LEU  25           HG       LEU  25 101.823   7.773 -15.746
  206   1HD1  LEU  25          1HD1      LEU  25 104.282   6.786 -15.965
  207   2HD1  LEU  25          2HD1      LEU  25 104.410   7.353 -14.300
  208   3HD1  LEU  25          3HD1      LEU  25 104.022   8.489 -15.592
  209   1HD2  LEU  25          1HD2      LEU  25 102.184   5.468 -16.272
  210   2HD2  LEU  25          2HD2      LEU  25 101.137   5.474 -14.853
  211   3HD2  LEU  25          3HD2      LEU  25 102.860   5.138 -14.677
  212    H    LEU  26           H        LEU  26 101.108   6.779 -11.046
  213    HA   LEU  26           HA       LEU  26 100.902   3.985 -11.090
  214   1HB   LEU  26          2HB       LEU  26 101.802   5.515  -9.294
  215   2HB   LEU  26          1HB       LEU  26 100.141   5.828  -8.807
  216    HG   LEU  26           HG       LEU  26  99.938   3.818  -7.756
  217   1HD1  LEU  26          1HD1      LEU  26 101.010   1.700  -8.605
  218   2HD1  LEU  26          2HD1      LEU  26 101.645   2.629  -9.961
  219   3HD1  LEU  26          3HD1      LEU  26  99.904   2.450  -9.753
  220   1HD2  LEU  26          1HD2      LEU  26 102.889   4.283  -8.034
  221   2HD2  LEU  26          2HD2      LEU  26 102.314   2.843  -7.196
  222   3HD2  LEU  26          3HD2      LEU  26 101.866   4.443  -6.608
  223    H    GLU  27           H        GLU  27  98.340   6.145  -9.775
  224    HA   GLU  27           HA       GLU  27  96.364   4.066  -9.638
  225   1HB   GLU  27          2HB       GLU  27  94.903   5.867  -9.047
  226   2HB   GLU  27          1HB       GLU  27  96.494   6.330  -8.447
  227   1HG   GLU  27          2HG       GLU  27  96.830   7.606 -10.610
  228   2HG   GLU  27          1HG       GLU  27  95.135   7.294 -10.972
  229    H    ALA  28           H        ALA  28  97.609   5.789 -12.339
  230    HA   ALA  28           HA       ALA  28  95.167   5.646 -13.959
  231   1HB   ALA  28          1HB       ALA  28  96.670   7.460 -14.341
  232   2HB   ALA  28          2HB       ALA  28  96.872   6.388 -15.726
  233   3HB   ALA  28          3HB       ALA  28  98.063   6.383 -14.426
  234    H    GLY  29           H        GLY  29  98.015   3.638 -13.418
  235   1HA   GLY  29          2HA       GLY  29  97.094   1.236 -14.247
  236   2HA   GLY  29          1HA       GLY  29  97.470   2.013 -15.774
  237    H    ALA  30           H        ALA  30  99.728   3.356 -13.873
  238    HA   ALA  30           HA       ALA  30 101.955   2.026 -14.929
  239   1HB   ALA  30          1HB       ALA  30 103.073   3.501 -13.592
  240   2HB   ALA  30          2HB       ALA  30 102.215   2.980 -12.142
  241   3HB   ALA  30          3HB       ALA  30 101.462   4.128 -13.248
  242    H    ASP  31           H        ASP  31 103.174   0.230 -14.319
  243    HA   ASP  31           HA       ASP  31 101.880  -1.849 -12.767
  244   1HB   ASP  31          2HB       ASP  31 103.360  -2.185 -14.740
  245   2HB   ASP  31          1HB       ASP  31 104.722  -1.575 -13.798
  246    HA   PRO  32           HA       PRO  32 103.514  -0.367  -8.874
  247   1HB   PRO  32          2HB       PRO  32 102.518  -2.388  -7.323
  248   2HB   PRO  32          1HB       PRO  32 101.522  -1.043  -7.912
  249   1HG   PRO  32          2HG       PRO  32 101.746  -3.825  -8.942
  250   2HG   PRO  32          1HG       PRO  32 100.319  -2.785  -8.797
  251   1HD   PRO  32          2HD       PRO  32 101.643  -3.215 -11.145
  252   2HD   PRO  32          1HD       PRO  32 100.721  -1.737 -10.789
  253    H    ASN  33           H        ASN  33 104.085  -3.484 -10.344
  254    HA   ASN  33           HA       ASN  33 106.399  -3.972  -8.505
  255   1HB   ASN  33          2HB       ASN  33 104.347  -5.586  -9.814
  256   2HB   ASN  33          1HB       ASN  33 105.966  -6.210 -10.129
  257   1HD2  ASN  33          1HD2      ASN  33 104.836  -4.506  -7.177
  258   2HD2  ASN  33          2HD2      ASN  33 105.132  -5.807  -6.126
  259    H    ALA  34           H        ALA  34 106.273  -2.116 -10.928
  260    HA   ALA  34           HA       ALA  34 107.813  -3.363 -13.051
  261   1HB   ALA  34          1HB       ALA  34 107.956  -0.437 -12.682
  262   2HB   ALA  34          2HB       ALA  34 106.318  -1.086 -12.696
  263   3HB   ALA  34          3HB       ALA  34 107.387  -1.365 -14.069
  264    H    LEU  35           H        LEU  35 110.033  -3.530 -13.218
  265    HA   LEU  35           HA       LEU  35 111.679  -2.807 -10.889
  266   1HB   LEU  35          2HB       LEU  35 112.290  -4.092 -13.572
  267   2HB   LEU  35          1HB       LEU  35 113.413  -4.010 -12.213
  268    HG   LEU  35           HG       LEU  35 110.682  -5.319 -12.089
  269   1HD1  LEU  35          1HD1      LEU  35 112.120  -6.585 -13.593
  270   2HD1  LEU  35          2HD1      LEU  35 112.001  -7.447 -12.060
  271   3HD1  LEU  35          3HD1      LEU  35 113.448  -6.512 -12.435
  272   1HD2  LEU  35          1HD2      LEU  35 111.725  -6.321  -9.999
  273   2HD2  LEU  35          2HD2      LEU  35 111.402  -4.590  -9.910
  274   3HD2  LEU  35          3HD2      LEU  35 113.043  -5.167 -10.196
  275    H    ASN  36           H        ASN  36 113.855  -1.701 -11.376
  276    HA   ASN  36           HA       ASN  36 113.363   0.659 -13.149
  277   1HB   ASN  36          2HB       ASN  36 113.891   0.594 -10.529
  278   2HB   ASN  36          1HB       ASN  36 115.552   0.515 -11.115
  279   1HD2  ASN  36          1HD2      ASN  36 112.663   2.309 -12.339
  280   2HD2  ASN  36          2HD2      ASN  36 113.423   3.826 -12.325
  281    H    ARG  37           H        ARG  37 115.909   1.566 -13.527
  282    HA   ARG  37           HA       ARG  37 116.972  -0.283 -15.519
  283   1HB   ARG  37          2HB       ARG  37 116.819   2.317 -15.475
  284   2HB   ARG  37          1HB       ARG  37 118.283   2.233 -14.494
  285   1HG   ARG  37          2HG       ARG  37 119.579   1.503 -16.240
  286   2HG   ARG  37          1HG       ARG  37 118.258   0.597 -16.979
  287   1HD   ARG  37          2HD       ARG  37 117.247   3.009 -17.407
  288   2HD   ARG  37          1HD       ARG  37 118.946   3.505 -17.266
  289    HE   ARG  37           HE       ARG  37 118.655   1.157 -18.945
  290   1HH1  ARG  37          2HH1      ARG  37 117.051   3.993 -19.405
  291   2HH1  ARG  37          1HH1      ARG  37 117.908   4.488 -20.826
  292   1HH2  ARG  37          1HH2      ARG  37 120.345   2.041 -20.533
  293   2HH2  ARG  37          2HH2      ARG  37 119.771   3.384 -21.465
  294    H    PHE  38           H        PHE  38 117.681   0.502 -12.187
  295    HA   PHE  38           HA       PHE  38 120.338  -0.828 -12.305
  296   1HB   PHE  38          2HB       PHE  38 118.828   0.519 -10.039
  297   2HB   PHE  38          1HB       PHE  38 120.530   0.060 -10.021
  298    HD1  PHE  38           HD1      PHE  38 118.576   2.826 -10.209
  299    HD2  PHE  38           HD2      PHE  38 121.655   0.882 -12.489
  300    HE1  PHE  38           HE1      PHE  38 119.172   4.995 -11.253
  301    HE2  PHE  38           HE2      PHE  38 122.251   3.052 -13.533
  302    HZ   PHE  38           HZ       PHE  38 121.009   5.108 -12.915
  303    H    GLY  39           H        GLY  39 117.632  -2.256 -12.562
  304   1HA   GLY  39          2HA       GLY  39 116.603  -4.191 -11.741
  305   2HA   GLY  39          1HA       GLY  39 118.222  -4.630 -11.202
  306    H    ARG  40           H        ARG  40 116.529  -1.768 -10.072
  307    HA   ARG  40           HA       ARG  40 116.658  -2.841  -7.298
  308   1HB   ARG  40          2HB       ARG  40 117.160  -0.368  -8.584
  309   2HB   ARG  40          1HB       ARG  40 115.732  -0.110  -7.582
  310   1HG   ARG  40          2HG       ARG  40 117.000  -1.206  -5.676
  311   2HG   ARG  40          1HG       ARG  40 118.438  -1.138  -6.696
  312   1HD   ARG  40          2HD       ARG  40 117.096   1.440  -6.678
  313   2HD   ARG  40          1HD       ARG  40 117.487   0.918  -5.030
  314    HE   ARG  40           HE       ARG  40 119.708   0.364  -6.764
  315   1HH1  ARG  40          1HH2      ARG  40 118.744   2.221  -4.193
  316   2HH1  ARG  40          2HH2      ARG  40 119.778   3.570  -4.524
  317   1HH2  ARG  40          2HH1      ARG  40 120.738   2.407  -7.648
  318   2HH2  ARG  40          1HH1      ARG  40 120.920   3.668  -6.475
  319    H    ARG  41           H        ARG  41 114.618  -1.114  -6.271
  320    HA   ARG  41           HA       ARG  41 112.163  -2.509  -7.282
  321   1HB   ARG  41          2HB       ARG  41 112.852  -1.242  -4.606
  322   2HB   ARG  41          1HB       ARG  41 111.366  -2.115  -4.960
  323   1HG   ARG  41          2HG       ARG  41 113.983  -3.481  -5.474
  324   2HG   ARG  41          1HG       ARG  41 113.407  -3.349  -3.811
  325   1HD   ARG  41          2HD       ARG  41 111.495  -4.651  -4.231
  326   2HD   ARG  41          1HD       ARG  41 111.562  -4.352  -5.980
  327    HE   ARG  41           HE       ARG  41 113.335  -6.209  -4.483
  328   1HH1  ARG  41          1HH2      ARG  41 111.479  -6.220  -7.134
  329   2HH1  ARG  41          2HH2      ARG  41 112.710  -6.628  -8.282
  330   1HH2  ARG  41          2HH1      ARG  41 115.325  -6.070  -6.076
  331   2HH2  ARG  41          1HH1      ARG  41 114.888  -6.542  -7.683
  332    HA   PRO  42           HA       PRO  42 110.315   1.357  -8.318
  333   1HB   PRO  42          2HB       PRO  42 107.832   1.267  -7.153
  334   2HB   PRO  42          1HB       PRO  42 108.265   0.325  -8.594
  335   1HG   PRO  42          2HG       PRO  42 108.148  -0.533  -5.740
  336   2HG   PRO  42          1HG       PRO  42 107.610  -1.387  -7.196
  337   1HD   PRO  42          2HD       PRO  42 109.934  -1.972  -5.961
  338   2HD   PRO  42          1HD       PRO  42 109.734  -2.112  -7.720
  339    H    ILE  43           H        ILE  43 110.523   0.491  -4.941
  340    HA   ILE  43           HA       ILE  43 110.216   3.359  -4.137
  341    HB   ILE  43           HB       ILE  43 110.103   0.730  -2.620
  342   1HG1  ILE  43          2HG1      ILE  43 107.988   2.827  -3.212
  343   2HG1  ILE  43          1HG1      ILE  43 108.139   1.280  -4.045
  344   1HG2  ILE  43          1HG2      ILE  43 109.995   3.603  -1.681
  345   2HG2  ILE  43          2HG2      ILE  43 111.006   2.293  -1.070
  346   3HG2  ILE  43          3HG2      ILE  43 109.272   2.294  -0.747
  347   1HD1  ILE  43          1HD1      ILE  43 107.770   1.541  -1.050
  348   2HD1  ILE  43          2HD1      ILE  43 107.701   0.061  -2.005
  349   3HD1  ILE  43          3HD1      ILE  43 106.440   1.282  -2.180
  350    H    GLN  44           H        GLN  44 112.314   0.493  -3.708
  351    HA   GLN  44           HA       GLN  44 114.354   1.584  -2.118
  352   1HB   GLN  44          2HB       GLN  44 113.983  -0.777  -3.062
  353   2HB   GLN  44          1HB       GLN  44 114.807  -0.208  -4.513
  354   1HG   GLN  44          2HG       GLN  44 116.831   0.187  -3.344
  355   2HG   GLN  44          1HG       GLN  44 116.034   0.108  -1.773
  356   1HE2  GLN  44          1HE2      GLN  44 118.219  -1.621  -3.308
  357   2HE2  GLN  44          2HE2      GLN  44 117.713  -3.207  -2.979
  358    H    VAL  45           H        VAL  45 113.566   2.315  -5.445
  359    HA   VAL  45           HA       VAL  45 116.140   3.791  -5.791
  360    HB   VAL  45           HB       VAL  45 115.355   2.052  -7.445
  361   1HG1  VAL  45          1HG1      VAL  45 113.440   2.405  -8.779
  362   2HG1  VAL  45          2HG1      VAL  45 113.320   4.102  -8.316
  363   3HG1  VAL  45          3HG1      VAL  45 112.897   2.842  -7.159
  364   1HG2  VAL  45          1HG2      VAL  45 115.341   4.742  -8.790
  365   2HG2  VAL  45          2HG2      VAL  45 116.163   3.259  -9.278
  366   3HG2  VAL  45          3HG2      VAL  45 116.781   4.205  -7.924
  367    H    MET  46           H        MET  46 113.684   4.727  -4.193
  368    HA   MET  46           HA       MET  46 112.829   7.047  -5.845
  369   1HB   MET  46          2HB       MET  46 111.079   7.272  -4.226
  370   2HB   MET  46          1HB       MET  46 111.256   5.545  -4.506
  371   1HG   MET  46          2HG       MET  46 111.884   5.156  -2.363
  372   2HG   MET  46          1HG       MET  46 112.981   6.531  -2.340
  373   1HE   MET  46          1HE       MET  46 109.453   5.311  -0.833
  374   2HE   MET  46          2HE       MET  46 110.117   6.257   0.496
  375   3HE   MET  46          3HE       MET  46 111.154   5.134  -0.381
  376    H    MET  47           H        MET  47 112.847   9.228  -4.720
  377    HA   MET  47           HA       MET  47 115.475   9.963  -3.893
  378   1HB   MET  47          2HB       MET  47 113.471  11.307  -4.866
  379   2HB   MET  47          1HB       MET  47 112.961  11.473  -3.187
  380   1HG   MET  47          2HG       MET  47 115.818  12.064  -3.763
  381   2HG   MET  47          1HG       MET  47 114.639  13.222  -4.378
  382   1HE   MET  47          1HE       MET  47 112.468  13.956  -1.352
  383   2HE   MET  47          2HE       MET  47 112.510  13.474  -3.046
  384   3HE   MET  47          3HE       MET  47 113.233  15.004  -2.554
  385    H    MET  48           H        MET  48 112.957   8.467  -2.102
  386    HA   MET  48           HA       MET  48 112.712   7.966   0.185
  387   1HB   MET  48          2HB       MET  48 115.678   8.546  -0.068
  388   2HB   MET  48          1HB       MET  48 114.947   7.860   1.383
  389   1HG   MET  48          2HG       MET  48 114.686   6.637  -1.377
  390   2HG   MET  48          1HG       MET  48 115.883   6.132  -0.186
  391   1HE   MET  48          1HE       MET  48 114.215   4.492  -1.636
  392   2HE   MET  48          2HE       MET  48 112.678   3.896  -1.016
  393   3HE   MET  48          3HE       MET  48 114.188   3.298  -0.331
  394    H    GLY  49           H        GLY  49 112.590  10.863  -0.829
  395   1HA   GLY  49          2HA       GLY  49 113.074  12.197   1.804
  396   2HA   GLY  49          1HA       GLY  49 113.155  13.040   0.257
  397    H    SER  50           H        SER  50 110.726  11.309  -0.581
  398    HA   SER  50           HA       SER  50 108.663  12.987   0.807
  399   1HB   SER  50          2HB       SER  50 109.402  12.572  -1.954
  400   2HB   SER  50          1HB       SER  50 107.735  12.067  -1.703
  401    HG   SER  50           HG       SER  50 107.235  14.075  -0.977
  402    H    ALA  51           H        ALA  51 107.750  11.569   2.286
  403    HA   ALA  51           HA       ALA  51 107.514   8.744   2.036
  404   1HB   ALA  51          1HB       ALA  51 106.015  10.886   3.555
  405   2HB   ALA  51          2HB       ALA  51 107.261   9.794   4.159
  406   3HB   ALA  51          3HB       ALA  51 105.656   9.172   3.770
  407    H    GLN  52           H        GLN  52 105.611  11.316   0.611
  408    HA   GLN  52           HA       GLN  52 103.162   9.937   0.152
  409   1HB   GLN  52          2HB       GLN  52 104.536  11.991  -1.561
  410   2HB   GLN  52          1HB       GLN  52 102.817  11.641  -1.549
  411   1HG   GLN  52          2HG       GLN  52 103.765  12.189   1.119
  412   2HG   GLN  52          1HG       GLN  52 104.186  13.510   0.044
  413   1HE2  GLN  52          1HE2      GLN  52 102.161  13.713   2.128
  414   2HE2  GLN  52          2HE2      GLN  52 100.672  13.980   1.358
  415    H    VAL  53           H        VAL  53 106.286   9.494  -1.254
  416    HA   VAL  53           HA       VAL  53 105.276   8.200  -3.703
  417    HB   VAL  53           HB       VAL  53 108.031   8.499  -2.454
  418   1HG1  VAL  53          1HG1      VAL  53 107.099   7.429  -5.123
  419   2HG1  VAL  53          2HG1      VAL  53 108.151   6.644  -3.944
  420   3HG1  VAL  53          3HG1      VAL  53 108.741   8.023  -4.871
  421   1HG2  VAL  53          1HG2      VAL  53 107.581  10.659  -3.082
  422   2HG2  VAL  53          2HG2      VAL  53 106.335  10.174  -4.233
  423   3HG2  VAL  53          3HG2      VAL  53 108.038  10.049  -4.672
  424    H    ALA  54           H        ALA  54 106.851   7.258  -0.647
  425    HA   ALA  54           HA       ALA  54 106.943   4.422  -1.254
  426   1HB   ALA  54          1HB       ALA  54 107.941   6.214   0.655
  427   2HB   ALA  54          2HB       ALA  54 108.200   4.470   0.634
  428   3HB   ALA  54          3HB       ALA  54 106.873   5.153   1.573
  429    H    GLU  55           H        GLU  55 104.530   6.580   0.091
  430    HA   GLU  55           HA       GLU  55 102.895   4.478   1.296
  431   1HB   GLU  55          2HB       GLU  55 103.029   6.890   2.009
  432   2HB   GLU  55          1HB       GLU  55 102.207   7.327   0.511
  433   1HG   GLU  55          2HG       GLU  55 100.992   5.245   2.302
  434   2HG   GLU  55          1HG       GLU  55 100.801   6.952   2.704
  435    H    LEU  56           H        LEU  56 102.724   6.440  -1.689
  436    HA   LEU  56           HA       LEU  56 100.260   5.448  -2.700
  437   1HB   LEU  56          2HB       LEU  56 102.027   7.310  -3.439
  438   2HB   LEU  56          1HB       LEU  56 102.572   6.026  -4.513
  439    HG   LEU  56           HG       LEU  56  99.960   7.497  -4.486
  440   1HD1  LEU  56          1HD1      LEU  56 100.426   7.030  -7.026
  441   2HD1  LEU  56          2HD1      LEU  56 102.050   6.634  -6.465
  442   3HD1  LEU  56          3HD1      LEU  56 101.387   8.243  -6.179
  443   1HD2  LEU  56          1HD2      LEU  56  99.049   5.645  -5.982
  444   2HD2  LEU  56          2HD2      LEU  56  99.148   5.239  -4.269
  445   3HD2  LEU  56          3HD2      LEU  56 100.364   4.630  -5.391
  446    H    LEU  57           H        LEU  57 103.527   4.453  -3.797
  447    HA   LEU  57           HA       LEU  57 102.782   2.209  -5.310
  448   1HB   LEU  57          2HB       LEU  57 105.214   2.884  -3.642
  449   2HB   LEU  57          1HB       LEU  57 105.156   1.458  -4.678
  450    HG   LEU  57           HG       LEU  57 104.277   3.973  -5.963
  451   1HD1  LEU  57          1HD1      LEU  57 106.935   3.677  -4.673
  452   2HD1  LEU  57          2HD1      LEU  57 106.049   5.140  -5.104
  453   3HD1  LEU  57          3HD1      LEU  57 106.946   4.257  -6.338
  454   1HD2  LEU  57          1HD2      LEU  57 105.641   1.425  -6.610
  455   2HD2  LEU  57          2HD2      LEU  57 106.197   2.823  -7.530
  456   3HD2  LEU  57          3HD2      LEU  57 104.496   2.363  -7.568
  457    H    LEU  58           H        LEU  58 103.699   2.263  -1.841
  458    HA   LEU  58           HA       LEU  58 103.386  -0.508  -1.314
  459   1HB   LEU  58          2HB       LEU  58 104.414   1.210   0.165
  460   2HB   LEU  58          1HB       LEU  58 102.812   1.882   0.468
  461    HG   LEU  58           HG       LEU  58 102.688  -0.941   0.931
  462   1HD1  LEU  58          1HD1      LEU  58 104.295  -0.844   2.970
  463   2HD1  LEU  58          2HD1      LEU  58 105.069   0.484   2.107
  464   3HD1  LEU  58          3HD1      LEU  58 104.995  -1.119   1.374
  465   1HD2  LEU  58          1HD2      LEU  58 102.443   0.119   3.377
  466   2HD2  LEU  58          2HD2      LEU  58 101.176   0.299   2.163
  467   3HD2  LEU  58          3HD2      LEU  58 102.321   1.611   2.443
  468    H    LEU  59           H        LEU  59 100.994   2.126  -1.301
  469    HA   LEU  59           HA       LEU  59  98.790   0.638  -0.236
  470   1HB   LEU  59          2HB       LEU  59  98.966   3.112  -0.456
  471   2HB   LEU  59          1HB       LEU  59  98.853   2.948  -2.208
  472    HG   LEU  59           HG       LEU  59  96.642   1.804  -1.901
  473   1HD1  LEU  59          1HD1      LEU  59  96.920   0.995   0.374
  474   2HD1  LEU  59          2HD1      LEU  59  95.554   2.110   0.340
  475   3HD1  LEU  59          3HD1      LEU  59  97.110   2.640   0.976
  476   1HD2  LEU  59          1HD2      LEU  59  96.707   4.525  -0.569
  477   2HD2  LEU  59          2HD2      LEU  59  95.416   3.840  -1.558
  478   3HD2  LEU  59          3HD2      LEU  59  96.945   4.306  -2.304
  479    H    HIS  60           H        HIS  60 100.082   0.971  -3.521
  480    HA   HIS  60           HA       HIS  60  97.835  -0.494  -4.731
  481   1HB   HIS  60          2HB       HIS  60 100.485   0.616  -5.692
  482   2HB   HIS  60          1HB       HIS  60  99.376  -0.246  -6.759
  483    HD1  HIS  60           HD1      HIS  60  98.613   1.752  -8.163
  484    HD2  HIS  60           HD2      HIS  60  98.109   2.365  -4.071
  485    HE1  HIS  60           HE1      HIS  60  97.237   3.869  -7.920
  486    H    GLY  61           H        GLY  61 101.377  -1.109  -4.725
  487   1HA   GLY  61          2HA       GLY  61 101.414  -3.633  -3.599
  488   2HA   GLY  61          1HA       GLY  61 101.009  -3.898  -5.290
  489    H    ALA  62           H        ALA  62 103.284  -1.707  -3.604
  490    HA   ALA  62           HA       ALA  62 105.269  -1.889  -5.699
  491   1HB   ALA  62          1HB       ALA  62 106.172  -0.198  -4.479
  492   2HB   ALA  62          2HB       ALA  62 106.197  -1.171  -3.008
  493   3HB   ALA  62          3HB       ALA  62 104.727  -0.319  -3.477
  494    H    GLU  63           H        GLU  63 107.634  -2.303  -4.158
  495    HA   GLU  63           HA       GLU  63 107.400  -5.200  -3.412
  496   1HB   GLU  63          2HB       GLU  63 109.533  -3.737  -5.005
  497   2HB   GLU  63          1HB       GLU  63 109.647  -5.426  -4.507
  498   1HG   GLU  63          2HG       GLU  63 107.161  -4.614  -5.931
  499   2HG   GLU  63          1HG       GLU  63 108.637  -4.701  -6.892
  500    HA   PRO  64           HA       PRO  64 109.489  -2.739  -0.088
  501   1HB   PRO  64          2HB       PRO  64 107.776  -3.379   1.942
  502   2HB   PRO  64          1HB       PRO  64 107.513  -2.000   0.856
  503   1HG   PRO  64          2HG       PRO  64 106.190  -4.643   0.906
  504   2HG   PRO  64          1HG       PRO  64 105.557  -3.069   0.409
  505   1HD   PRO  64          2HD       PRO  64 106.411  -5.102  -1.298
  506   2HD   PRO  64          1HD       PRO  64 106.152  -3.405  -1.750
  507    H    ASN  65           H        ASN  65 108.321  -6.018  -0.399
  508    HA   ASN  65           HA       ASN  65 109.951  -7.026   1.849
  509   1HB   ASN  65          2HB       ASN  65 108.229  -8.352  -0.270
  510   2HB   ASN  65          1HB       ASN  65 108.941  -9.187   1.112
  511   1HD2  ASN  65          1HD2      ASN  65 106.133  -9.152   0.845
  512   2HD2  ASN  65          2HD2      ASN  65 105.466  -8.158   2.049
  513    H    CYS  66           H        CYS  66 109.798  -7.566  -1.694
  514    HA   CYS  66           HA       CYS  66 112.126  -9.146  -1.952
  515   1HB   CYS  66          2HB       CYS  66 110.233  -7.787  -3.575
  516   2HB   CYS  66          1HB       CYS  66 111.837  -7.437  -4.200
  517    HG   CYS  66           HG       CYS  66 112.241 -10.076  -4.288
  518    H    ALA  67           H        ALA  67 114.230  -8.417  -2.976
  519    HA   ALA  67           HA       ALA  67 115.007  -5.617  -2.323
  520   1HB   ALA  67          1HB       ALA  67 116.036  -8.176  -1.108
  521   2HB   ALA  67          2HB       ALA  67 115.560  -6.684  -0.296
  522   3HB   ALA  67          3HB       ALA  67 117.076  -6.755  -1.194
  523    H    ASP  68           H        ASP  68 117.699  -5.785  -2.790
  524    HA   ASP  68           HA       ASP  68 117.803  -6.328  -5.683
  525   1HB   ASP  68          2HB       ASP  68 118.710  -4.307  -4.332
  526   2HB   ASP  68          1HB       ASP  68 120.038  -5.379  -3.890
  527    HA   PRO  69           HA       PRO  69 119.639 -10.324  -4.867
  528   1HB   PRO  69          2HB       PRO  69 120.109 -11.008  -7.473
  529   2HB   PRO  69          1HB       PRO  69 118.500 -11.098  -6.728
  530   1HG   PRO  69          2HG       PRO  69 119.634  -9.030  -8.539
  531   2HG   PRO  69          1HG       PRO  69 117.993  -9.689  -8.463
  532   1HD   PRO  69          2HD       PRO  69 118.715  -7.263  -7.422
  533   2HD   PRO  69          1HD       PRO  69 117.346  -8.229  -6.832
  534    H    ALA  70           H        ALA  70 121.068  -7.735  -6.758
  535    HA   ALA  70           HA       ALA  70 123.676  -8.833  -7.183
  536   1HB   ALA  70          1HB       ALA  70 124.252  -6.535  -7.666
  537   2HB   ALA  70          2HB       ALA  70 122.908  -5.942  -6.691
  538   3HB   ALA  70          3HB       ALA  70 122.592  -6.783  -8.209
  539    H    THR  71           H        THR  71 122.497  -6.641  -4.594
  540    HA   THR  71           HA       THR  71 124.779  -7.611  -2.903
  541    HB   THR  71           HB       THR  71 124.296  -5.149  -1.924
  542    HG1  THR  71           HG1      THR  71 123.172  -3.994  -3.242
  543   1HG2  THR  71          1HG2      THR  71 126.277  -4.521  -2.961
  544   2HG2  THR  71          2HG2      THR  71 125.839  -5.288  -4.488
  545   3HG2  THR  71          3HG2      THR  71 126.360  -6.275  -3.123
  546    H    LEU  72           H        LEU  72 121.869  -8.484  -3.103
  547    HA   LEU  72           HA       LEU  72 120.048  -8.936  -1.648
  548   1HB   LEU  72          2HB       LEU  72 122.558  -9.685  -0.651
  549   2HB   LEU  72          1HB       LEU  72 121.747  -8.936   0.723
  550    HG   LEU  72           HG       LEU  72 120.416 -11.027  -1.008
  551   1HD1  LEU  72          1HD1      LEU  72 121.451 -11.688   1.710
  552   2HD1  LEU  72          2HD1      LEU  72 122.629 -11.609   0.400
  553   3HD1  LEU  72          3HD1      LEU  72 121.268 -12.725   0.295
  554   1HD2  LEU  72          1HD2      LEU  72 119.233 -11.217   1.370
  555   2HD2  LEU  72          2HD2      LEU  72 118.726  -9.999   0.201
  556   3HD2  LEU  72          3HD2      LEU  72 119.803  -9.556   1.525
  557    H    THR  73           H        THR  73 120.496  -6.073  -2.053
  558    HA   THR  73           HA       THR  73 120.093  -4.882   0.644
  559    HB   THR  73           HB       THR  73 120.026  -2.840  -1.179
  560    HG1  THR  73           HG1      THR  73 121.209  -3.352  -2.904
  561   1HG2  THR  73          1HG2      THR  73 121.531  -3.076   0.777
  562   2HG2  THR  73          2HG2      THR  73 122.405  -2.545  -0.660
  563   3HG2  THR  73          3HG2      THR  73 122.512  -4.224  -0.134
  564    H    ARG  74           H        ARG  74 118.038  -4.476   1.359
  565    HA   ARG  74           HA       ARG  74 115.791  -4.691  -0.559
  566   1HB   ARG  74          2HB       ARG  74 114.533  -5.273   1.307
  567   2HB   ARG  74          1HB       ARG  74 116.126  -5.861   1.751
  568   1HG   ARG  74          2HG       ARG  74 116.423  -4.250   3.375
  569   2HG   ARG  74          1HG       ARG  74 115.440  -3.058   2.531
  570   1HD   ARG  74          2HD       ARG  74 114.370  -4.011   4.639
  571   2HD   ARG  74          1HD       ARG  74 113.389  -4.197   3.173
  572    HE   ARG  74           HE       ARG  74 114.945  -6.359   4.491
  573   1HH1  ARG  74          1HH2      ARG  74 111.917  -5.886   3.541
  574   2HH1  ARG  74          2HH2      ARG  74 111.821  -7.166   2.377
  575   1HH2  ARG  74          2HH1      ARG  74 115.239  -7.723   2.309
  576   2HH2  ARG  74          1HH1      ARG  74 113.700  -8.205   1.679
  577    HA   PRO  75           HA       PRO  75 114.720  -0.426  -0.442
  578   1HB   PRO  75          2HB       PRO  75 112.132  -0.241   0.413
  579   2HB   PRO  75          1HB       PRO  75 112.587  -0.902  -1.171
  580   1HG   PRO  75          2HG       PRO  75 111.776  -2.313   1.306
  581   2HG   PRO  75          1HG       PRO  75 111.472  -2.730  -0.385
  582   1HD   PRO  75          2HD       PRO  75 113.385  -3.903   1.214
  583   2HD   PRO  75          1HD       PRO  75 113.407  -3.909  -0.561
  584    H    VAL  76           H        VAL  76 113.797  -1.961   2.644
  585    HA   VAL  76           HA       VAL  76 113.441   0.312   4.269
  586    HB   VAL  76           HB       VAL  76 114.798  -2.332   4.878
  587   1HG1  VAL  76          1HG1      VAL  76 113.592  -0.215   6.677
  588   2HG1  VAL  76          2HG1      VAL  76 115.258  -0.797   6.679
  589   3HG1  VAL  76          3HG1      VAL  76 113.953  -1.856   7.213
  590   1HG2  VAL  76          1HG2      VAL  76 111.910  -1.419   5.077
  591   2HG2  VAL  76          2HG2      VAL  76 112.517  -2.965   5.672
  592   3HG2  VAL  76          3HG2      VAL  76 112.546  -2.610   3.945
  593    H    HIS  77           H        HIS  77 116.438  -1.113   3.055
  594    HA   HIS  77           HA       HIS  77 118.294   0.246   4.750
  595   1HB   HIS  77          2HB       HIS  77 118.298  -1.000   2.016
  596   2HB   HIS  77          1HB       HIS  77 119.722  -0.104   2.548
  597    HD1  HIS  77           HD1      HIS  77 117.406  -2.692   4.159
  598    HD2  HIS  77           HD2      HIS  77 121.466  -1.808   3.822
  599    HE1  HIS  77           HE1      HIS  77 118.639  -4.486   5.452
  600    H    ASP  78           H        ASP  78 116.894   1.157   1.588
  601    HA   ASP  78           HA       ASP  78 118.313   3.650   1.327
  602   1HB   ASP  78          2HB       ASP  78 115.895   2.319   0.154
  603   2HB   ASP  78          1HB       ASP  78 116.155   4.030  -0.184
  604    H    ALA  79           H        ALA  79 114.988   2.915   2.455
  605    HA   ALA  79           HA       ALA  79 114.136   5.530   3.078
  606   1HB   ALA  79          1HB       ALA  79 113.468   3.290   4.934
  607   2HB   ALA  79          2HB       ALA  79 113.099   3.053   3.225
  608   3HB   ALA  79          3HB       ALA  79 112.392   4.411   4.101
  609    H    ALA  80           H        ALA  80 116.356   3.418   4.805
  610    HA   ALA  80           HA       ALA  80 116.389   5.107   7.222
  611   1HB   ALA  80          1HB       ALA  80 118.163   3.430   7.859
  612   2HB   ALA  80          2HB       ALA  80 117.978   2.705   6.263
  613   3HB   ALA  80          3HB       ALA  80 116.630   2.691   7.399
  614    H    ARG  81           H        ARG  81 118.284   4.616   4.292
  615    HA   ARG  81           HA       ARG  81 120.700   5.931   5.047
  616   1HB   ARG  81          2HB       ARG  81 119.211   5.642   2.420
  617   2HB   ARG  81          1HB       ARG  81 120.859   6.260   2.536
  618   1HG   ARG  81          2HG       ARG  81 120.475   3.756   4.015
  619   2HG   ARG  81          1HG       ARG  81 120.162   3.589   2.288
  620   1HD   ARG  81          2HD       ARG  81 122.459   5.112   2.284
  621   2HD   ARG  81          1HD       ARG  81 122.719   4.045   3.678
  622    HE   ARG  81           HE       ARG  81 122.268   2.117   2.173
  623   1HH1  ARG  81          2HH1      ARG  81 121.508   4.777   0.335
  624   2HH1  ARG  81          1HH1      ARG  81 122.495   4.361  -1.026
  625   1HH2  ARG  81          1HH2      ARG  81 124.104   1.755   0.598
  626   2HH2  ARG  81          2HH2      ARG  81 123.964   2.651  -0.877
  627    H    GLU  82           H        GLU  82 117.536   7.188   4.227
  628    HA   GLU  82           HA       GLU  82 118.611   9.960   3.987
  629   1HB   GLU  82          2HB       GLU  82 116.169   8.447   3.181
  630   2HB   GLU  82          1HB       GLU  82 115.973  10.170   3.502
  631   1HG   GLU  82          2HG       GLU  82 116.513  10.075   1.200
  632   2HG   GLU  82          1HG       GLU  82 118.037  10.495   1.983
  633    H    GLY  83           H        GLY  83 116.696   7.892   6.092
  634   1HA   GLY  83          2HA       GLY  83 116.336   8.327   8.428
  635   2HA   GLY  83          1HA       GLY  83 116.727  10.024   8.146
  636    H    PHE  84           H        PHE  84 114.445   8.131   6.229
  637    HA   PHE  84           HA       PHE  84 112.314  10.087   6.937
  638   1HB   PHE  84          2HB       PHE  84 113.241   8.851   4.589
  639   2HB   PHE  84          1HB       PHE  84 111.691   8.078   4.920
  640    HD1  PHE  84           HD1      PHE  84 110.564  11.119   2.835
  641    HD2  PHE  84           HD2      PHE  84 109.460   9.252   4.705
  642    HE1  PHE  84           HE1      PHE  84 109.088  11.183   5.282
  643    HE2  PHE  84           HE2      PHE  84 110.540  11.146   2.856
  644    HZ   PHE  84           HZ       PHE  84 111.590  11.843   5.778
  645    H    LEU  85           H        LEU  85 111.592   9.255   8.968
  646    HA   LEU  85           HA       LEU  85 111.079   6.489   9.526
  647   1HB   LEU  85          2HB       LEU  85 110.476   9.166  10.660
  648   2HB   LEU  85          1HB       LEU  85 109.408   7.862  11.178
  649    HG   LEU  85           HG       LEU  85 111.330   8.076  12.706
  650   1HD1  LEU  85          1HD1      LEU  85 111.593   5.812  12.935
  651   2HD1  LEU  85          2HD1      LEU  85 112.013   5.583  11.236
  652   3HD1  LEU  85          3HD1      LEU  85 110.324   5.774  11.710
  653   1HD2  LEU  85          1HD2      LEU  85 113.603   7.409  11.760
  654   2HD2  LEU  85          2HD2      LEU  85 113.019   9.000  11.275
  655   3HD2  LEU  85          3HD2      LEU  85 112.908   7.641  10.157
  656    H    ASP  86           H        ASP  86 109.204   8.942   7.853
  657    HA   ASP  86           HA       ASP  86 106.594   7.808   8.083
  658   1HB   ASP  86          2HB       ASP  86 108.038   9.508   6.047
  659   2HB   ASP  86          1HB       ASP  86 106.345   9.063   5.830
  660    H    THR  87           H        THR  87 108.933   7.475   5.375
  661    HA   THR  87           HA       THR  87 107.506   5.512   3.905
  662    HB   THR  87           HB       THR  87 110.456   6.124   4.235
  663    HG1  THR  87           HG1      THR  87 109.951   7.682   2.959
  664   1HG2  THR  87          1HG2      THR  87 110.501   3.952   3.337
  665   2HG2  THR  87          2HG2      THR  87 110.541   4.981   1.905
  666   3HG2  THR  87          3HG2      THR  87 109.032   4.212   2.398
  667    H    LEU  88           H        LEU  88 109.942   5.119   6.492
  668    HA   LEU  88           HA       LEU  88 110.158   2.289   6.445
  669   1HB   LEU  88          2HB       LEU  88 110.586   4.522   8.364
  670   2HB   LEU  88          1HB       LEU  88 110.494   2.904   9.060
  671    HG   LEU  88           HG       LEU  88 112.116   2.384   6.970
  672   1HD1  LEU  88          1HD1      LEU  88 113.776   4.294   6.894
  673   2HD1  LEU  88          2HD1      LEU  88 112.574   5.279   7.725
  674   3HD1  LEU  88          3HD1      LEU  88 112.228   4.635   6.121
  675   1HD2  LEU  88          1HD2      LEU  88 112.921   3.531   9.661
  676   2HD2  LEU  88          2HD2      LEU  88 114.007   2.649   8.588
  677   3HD2  LEU  88          3HD2      LEU  88 112.613   1.834   9.297
  678    H    VAL  89           H        VAL  89 107.875   4.385   8.233
  679    HA   VAL  89           HA       VAL  89 106.456   2.276   9.572
  680    HB   VAL  89           HB       VAL  89 105.581   5.030   8.623
  681   1HG1  VAL  89          1HG1      VAL  89 104.404   3.074  10.610
  682   2HG1  VAL  89          2HG1      VAL  89 103.613   3.812   9.217
  683   3HG1  VAL  89          3HG1      VAL  89 104.010   4.792  10.629
  684   1HG2  VAL  89          1HG2      VAL  89 107.639   4.530  10.289
  685   2HG2  VAL  89          2HG2      VAL  89 106.315   4.444  11.452
  686   3HG2  VAL  89          3HG2      VAL  89 106.565   5.912  10.507
  687    H    VAL  90           H        VAL  90 105.946   3.936   6.465
  688    HA   VAL  90           HA       VAL  90 103.530   2.729   5.664
  689    HB   VAL  90           HB       VAL  90 105.965   3.605   4.077
  690   1HG1  VAL  90          1HG1      VAL  90 104.254   2.169   2.848
  691   2HG1  VAL  90          2HG1      VAL  90 104.531   3.772   2.168
  692   3HG1  VAL  90          3HG1      VAL  90 103.092   3.463   3.138
  693   1HG2  VAL  90          1HG2      VAL  90 105.183   5.763   4.245
  694   2HG2  VAL  90          2HG2      VAL  90 104.523   5.141   5.758
  695   3HG2  VAL  90          3HG2      VAL  90 103.496   5.255   4.328
  696    H    LEU  91           H        LEU  91 106.896   1.659   5.106
  697    HA   LEU  91           HA       LEU  91 106.300  -0.705   3.616
  698   1HB   LEU  91          2HB       LEU  91 108.542   0.457   5.185
  699   2HB   LEU  91          1HB       LEU  91 108.621  -1.282   4.897
  700    HG   LEU  91           HG       LEU  91 108.126  -0.733   2.437
  701   1HD1  LEU  91          1HD1      LEU  91 107.362   1.588   2.843
  702   2HD1  LEU  91          2HD1      LEU  91 108.727   1.546   1.726
  703   3HD1  LEU  91          3HD1      LEU  91 108.977   2.013   3.409
  704   1HD2  LEU  91          1HD2      LEU  91 110.641  -0.216   3.961
  705   2HD2  LEU  91          2HD2      LEU  91 110.613   0.264   2.265
  706   3HD2  LEU  91          3HD2      LEU  91 110.314  -1.416   2.711
  707    H    HIS  92           H        HIS  92 106.852  -0.238   7.118
  708    HA   HIS  92           HA       HIS  92 106.429  -2.981   7.869
  709   1HB   HIS  92          2HB       HIS  92 107.452  -0.876   9.080
  710   2HB   HIS  92          1HB       HIS  92 105.794  -0.622   9.625
  711    HD1  HIS  92           HD1      HIS  92 105.915  -1.391  12.024
  712    HD2  HIS  92           HD2      HIS  92 107.603  -4.157   9.403
  713    HE1  HIS  92           HE1      HIS  92 106.444  -3.450  13.400
  714    H    ARG  93           H        ARG  93 104.249  -0.313   7.208
  715    HA   ARG  93           HA       ARG  93 101.915  -1.340   8.551
  716   1HB   ARG  93          2HB       ARG  93 102.624   0.706   6.502
  717   2HB   ARG  93          1HB       ARG  93 100.931   0.214   6.578
  718   1HG   ARG  93          2HG       ARG  93 100.856   0.742   8.969
  719   2HG   ARG  93          1HG       ARG  93 102.567   1.172   8.945
  720   1HD   ARG  93          2HD       ARG  93 101.330   3.243   8.781
  721   2HD   ARG  93          1HD       ARG  93 101.962   2.910   7.156
  722    HE   ARG  93           HE       ARG  93  99.197   2.083   7.959
  723   1HH1  ARG  93          1HH2      ARG  93 101.272   2.119   5.376
  724   2HH1  ARG  93          2HH2      ARG  93 100.230   2.983   4.297
  725   1HH2  ARG  93          2HH1      ARG  93  97.923   3.799   6.754
  726   2HH2  ARG  93          1HH1      ARG  93  98.333   3.935   5.077
  727    H    ALA  94           H        ALA  94 103.339  -1.929   5.375
  728    HA   ALA  94           HA       ALA  94 101.087  -3.744   4.732
  729   1HB   ALA  94          1HB       ALA  94 103.103  -2.460   2.878
  730   2HB   ALA  94          2HB       ALA  94 101.545  -1.736   3.273
  731   3HB   ALA  94          3HB       ALA  94 101.609  -3.275   2.413
  732    H    GLY  95           H        GLY  95 103.196  -4.627   6.452
  733   1HA   GLY  95          2HA       GLY  95 104.607  -6.492   6.673
  734   2HA   GLY  95          1HA       GLY  95 104.037  -7.013   5.086
  735    H    ALA  96           H        ALA  96 106.701  -5.799   6.782
  736    HA   ALA  96           HA       ALA  96 108.202  -5.490   4.234
  737   1HB   ALA  96          1HB       ALA  96 109.155  -3.335   5.441
  738   2HB   ALA  96          2HB       ALA  96 107.613  -3.392   6.296
  739   3HB   ALA  96          3HB       ALA  96 107.642  -3.247   4.539
  740    H    ARG  97           H        ARG  97 109.675  -7.133   4.656
  741    HA   ARG  97           HA       ARG  97 110.720  -7.886   7.198
  742   1HB   ARG  97          2HB       ARG  97 111.005  -9.428   5.464
  743   2HB   ARG  97          1HB       ARG  97 111.456  -8.190   4.301
  744   1HG   ARG  97          2HG       ARG  97 113.411  -9.546   4.834
  745   2HG   ARG  97          1HG       ARG  97 113.644  -7.928   5.486
  746   1HD   ARG  97          2HD       ARG  97 114.281  -9.688   7.133
  747   2HD   ARG  97          1HD       ARG  97 112.914  -8.724   7.714
  748    HE   ARG  97           HE       ARG  97 112.680 -11.456   6.528
  749   1HH1  ARG  97          2HH1      ARG  97 111.941  -9.567   9.178
  750   2HH1  ARG  97          1HH1      ARG  97 110.273 -10.018   9.269
  751   1HH2  ARG  97          1HH2      ARG  97 110.287 -11.706   6.240
  752   2HH2  ARG  97          2HH2      ARG  97 109.337 -11.230   7.608
  753    H    LEU  98           H        LEU  98 111.676  -6.324   8.504
  754    HA   LEU  98           HA       LEU  98 113.572  -4.381   7.249
  755   1HB   LEU  98          2HB       LEU  98 112.253  -4.482   9.983
  756   2HB   LEU  98          1HB       LEU  98 113.216  -3.143   9.360
  757    HG   LEU  98           HG       LEU  98 111.165  -3.844   7.448
  758   1HD1  LEU  98          1HD1      LEU  98 110.252  -3.227  10.274
  759   2HD1  LEU  98          2HD1      LEU  98 109.892  -4.683   9.347
  760   3HD1  LEU  98          3HD1      LEU  98 109.217  -3.132   8.849
  761   1HD2  LEU  98          1HD2      LEU  98 111.900  -1.671   7.234
  762   2HD2  LEU  98          2HD2      LEU  98 112.152  -1.475   8.968
  763   3HD2  LEU  98          3HD2      LEU  98 110.524  -1.370   8.295
  764    H    ASP  99           H        ASP  99 114.105  -7.315   8.033
  765    HA   ASP  99           HA       ASP  99 116.448  -6.761   9.822
  766   1HB   ASP  99          2HB       ASP  99 114.370  -8.045  10.713
  767   2HB   ASP  99          1HB       ASP  99 114.935  -9.368   9.693
  768    H    VAL 100           H        VAL 100 115.929  -7.157   6.726
  769    HA   VAL 100           HA       VAL 100 117.293  -9.591   5.998
  770    HB   VAL 100           HB       VAL 100 115.758  -7.986   4.630
  771   1HG1  VAL 100          1HG1      VAL 100 118.377  -6.710   3.873
  772   2HG1  VAL 100          2HG1      VAL 100 117.395  -6.039   5.177
  773   3HG1  VAL 100          3HG1      VAL 100 116.738  -6.152   3.546
  774   1HG2  VAL 100          1HG2      VAL 100 118.074  -8.573   2.916
  775   2HG2  VAL 100          2HG2      VAL 100 116.422  -9.181   2.822
  776   3HG2  VAL 100          3HG2      VAL 100 117.575  -9.932   3.922
  777    H    CYS 101           H        CYS 101 119.490  -9.652   4.991
  778    HA   CYS 101           HA       CYS 101 121.384  -7.894   6.485
  779   1HB   CYS 101          2HB       CYS 101 121.645 -10.524   4.994
  780   2HB   CYS 101          1HB       CYS 101 122.996  -9.702   5.777
  781    HG   CYS 101           HG       CYS 101 122.255 -10.727   7.897
  782    H    ASP 102           H        ASP 102 122.721  -6.468   5.376
  783    HA   ASP 102           HA       ASP 102 122.137  -5.843   2.598
  784   1HB   ASP 102          2HB       ASP 102 122.815  -4.265   4.458
  785   2HB   ASP 102          1HB       ASP 102 124.443  -4.939   4.350
  786    H    ALA 103           H        ALA 103 122.784  -8.373   2.245
  787    HA   ALA 103           HA       ALA 103 124.230  -9.849   1.121
  788   1HB   ALA 103          1HB       ALA 103 124.871  -7.097   0.289
  789   2HB   ALA 103          2HB       ALA 103 124.600  -8.533  -0.697
  790   3HB   ALA 103          3HB       ALA 103 126.183  -8.242   0.022
  791    H    TRP 104           H        TRP 104 126.698  -7.420   1.905
  792    HA   TRP 104           HA       TRP 104 128.661  -9.213   2.845
  793   1HB   TRP 104          2HB       TRP 104 128.164  -6.389   3.833
  794   2HB   TRP 104          1HB       TRP 104 129.713  -7.221   3.738
  795    HD1  TRP 104           HD1      TRP 104 129.320  -4.496   2.262
  796    HE1  TRP 104           HE1      TRP 104 129.506  -4.360  -0.303
  797    HE3  TRP 104           HE3      TRP 104 128.430  -9.385   1.034
  798    HZ2  TRP 104           HZ2      TRP 104 129.306  -6.082  -2.569
  799    HZ3  TRP 104           HZ3      TRP 104 128.436 -10.100  -1.333
  800    HH2  TRP 104           HH2      TRP 104 128.872  -8.458  -3.136
  801    H    GLY 105           H        GLY 105 126.153  -7.474   4.700
  802   1HA   GLY 105          2HA       GLY 105 125.334  -9.222   6.543
  803   2HA   GLY 105          1HA       GLY 105 126.960  -8.920   7.157
  804    H    ARG 106           H        ARG 106 126.610  -6.053   6.013
  805    HA   ARG 106           HA       ARG 106 126.017  -4.704   8.420
  806   1HB   ARG 106          2HB       ARG 106 126.319  -4.110   5.548
  807   2HB   ARG 106          1HB       ARG 106 125.342  -2.931   6.422
  808   1HG   ARG 106          2HG       ARG 106 127.752  -3.732   7.891
  809   2HG   ARG 106          1HG       ARG 106 128.111  -2.973   6.341
  810   1HD   ARG 106          2HD       ARG 106 125.990  -1.505   7.647
  811   2HD   ARG 106          1HD       ARG 106 127.380  -1.659   8.740
  812    HE   ARG 106           HE       ARG 106 128.600  -1.041   6.374
  813   1HH1  ARG 106          2HH1      ARG 106 127.173   0.656   8.819
  814   2HH1  ARG 106          1HH1      ARG 106 126.860   2.098   7.910
  815   1HH2  ARG 106          1HH2      ARG 106 127.658   0.663   4.856
  816   2HH2  ARG 106          2HH2      ARG 106 127.134   2.101   5.666
  817    H    LEU 107           H        LEU 107 124.104  -4.479   9.492
  818    HA   LEU 107           HA       LEU 107 121.565  -5.277   8.271
  819   1HB   LEU 107          2HB       LEU 107 122.569  -4.300  10.936
  820   2HB   LEU 107          1HB       LEU 107 120.833  -4.380  10.638
  821    HG   LEU 107           HG       LEU 107 122.732  -6.706  10.230
  822   1HD1  LEU 107          1HD1      LEU 107 122.150  -7.514  12.349
  823   2HD1  LEU 107          2HD1      LEU 107 120.713  -6.498  12.448
  824   3HD1  LEU 107          3HD1      LEU 107 122.312  -5.784  12.647
  825   1HD2  LEU 107          1HD2      LEU 107 120.782  -6.974   8.869
  826   2HD2  LEU 107          2HD2      LEU 107 119.724  -6.377  10.147
  827   3HD2  LEU 107          3HD2      LEU 107 120.499  -7.952  10.308
  828    HA   PRO 108           HA       PRO 108 120.079  -1.322   7.060
  829   1HB   PRO 108          2HB       PRO 108 117.524  -1.247   8.051
  830   2HB   PRO 108          1HB       PRO 108 117.996  -2.243   6.659
  831   1HG   PRO 108          2HG       PRO 108 117.624  -3.032   9.509
  832   2HG   PRO 108          1HG       PRO 108 117.153  -3.889   8.031
  833   1HD   PRO 108          2HD       PRO 108 119.346  -4.556   9.466
  834   2HD   PRO 108          1HD       PRO 108 119.258  -4.757   7.703
  835    H    VAL 109           H        VAL 109 119.867  -2.143  10.467
  836    HA   VAL 109           HA       VAL 109 119.388   0.615  11.349
  837    HB   VAL 109           HB       VAL 109 118.562  -1.383  12.555
  838   1HG1  VAL 109          1HG1      VAL 109 119.882  -3.153  13.037
  839   2HG1  VAL 109          2HG1      VAL 109 121.135  -2.123  13.730
  840   3HG1  VAL 109          3HG1      VAL 109 121.091  -2.411  11.991
  841   1HG2  VAL 109          1HG2      VAL 109 120.682  -0.126  14.293
  842   2HG2  VAL 109          2HG2      VAL 109 119.035  -0.588  14.722
  843   3HG2  VAL 109          3HG2      VAL 109 119.319   0.826  13.706
  844    H    ASP 110           H        ASP 110 122.142  -1.413  10.646
  845    HA   ASP 110           HA       ASP 110 124.126  -0.054  12.227
  846   1HB   ASP 110          2HB       ASP 110 124.032  -2.320  10.814
  847   2HB   ASP 110          1HB       ASP 110 124.751  -1.291   9.574
  848    H    LEU 111           H        LEU 111 123.028   0.367   8.851
  849    HA   LEU 111           HA       LEU 111 124.876   2.381   8.062
  850   1HB   LEU 111          2HB       LEU 111 122.070   1.587   7.306
  851   2HB   LEU 111          1HB       LEU 111 122.832   2.978   6.537
  852    HG   LEU 111           HG       LEU 111 124.785   0.948   6.499
  853   1HD1  LEU 111          1HD1      LEU 111 123.784  -1.023   5.817
  854   2HD1  LEU 111          2HD1      LEU 111 122.344  -0.205   5.209
  855   3HD1  LEU 111          3HD1      LEU 111 122.558  -0.443   6.944
  856   1HD2  LEU 111          1HD2      LEU 111 122.974   1.520   4.165
  857   2HD2  LEU 111          2HD2      LEU 111 124.724   1.311   4.185
  858   3HD2  LEU 111          3HD2      LEU 111 124.006   2.798   4.806
  859    H    ALA 112           H        ALA 112 121.893   2.570   9.943
  860    HA   ALA 112           HA       ALA 112 121.509   5.411   9.838
  861   1HB   ALA 112          1HB       ALA 112 120.135   4.944  11.871
  862   2HB   ALA 112          2HB       ALA 112 120.832   3.326  11.938
  863   3HB   ALA 112          3HB       ALA 112 119.818   3.792  10.573
  864    H    GLU 113           H        GLU 113 122.735   3.516  12.625
  865    HA   GLU 113           HA       GLU 113 123.763   5.627  14.137
  866   1HB   GLU 113          2HB       GLU 113 124.421   2.721  13.778
  867   2HB   GLU 113          1HB       GLU 113 125.417   3.701  14.855
  868   1HG   GLU 113          2HG       GLU 113 123.005   4.484  15.724
  869   2HG   GLU 113          1HG       GLU 113 122.564   2.882  15.135
  870    H    GLU 114           H        GLU 114 125.109   4.137  11.260
  871    HA   GLU 114           HA       GLU 114 127.782   5.297  11.618
  872   1HB   GLU 114          2HB       GLU 114 127.016   3.111  10.428
  873   2HB   GLU 114          1HB       GLU 114 126.606   4.170   9.079
  874   1HG   GLU 114          2HG       GLU 114 129.294   4.525  10.321
  875   2HG   GLU 114          1HG       GLU 114 129.045   3.085   9.333
  876    H    GLN 115           H        GLN 115 124.940   5.916   9.534
  877    HA   GLN 115           HA       GLN 115 126.181   8.199   8.203
  878   1HB   GLN 115          2HB       GLN 115 123.573   6.757   8.260
  879   2HB   GLN 115          1HB       GLN 115 123.541   8.422   7.683
  880   1HG   GLN 115          2HG       GLN 115 124.159   7.560   5.682
  881   2HG   GLN 115          1HG       GLN 115 125.760   7.392   6.400
  882   1HE2  GLN 115          1HE2      GLN 115 126.531   5.267   6.798
  883   2HE2  GLN 115          2HE2      GLN 115 125.620   3.868   6.496
  884    H    GLY 116           H        GLY 116 123.065   8.281   9.931
  885   1HA   GLY 116          2HA       GLY 116 123.648   9.874  12.123
  886   2HA   GLY 116          1HA       GLY 116 123.534  11.019  10.786
  887    H    HIS 117           H        HIS 117 121.656   8.042  11.367
  888    HA   HIS 117           HA       HIS 117 119.178   9.742  11.357
  889   1HB   HIS 117          2HB       HIS 117 119.510   6.849  10.495
  890   2HB   HIS 117          1HB       HIS 117 118.108   7.882  10.225
  891    HD1  HIS 117           HD1      HIS 117 120.798   6.597   8.384
  892    HD2  HIS 117           HD2      HIS 117 119.209  10.434   8.741
  893    HE1  HIS 117           HE1      HIS 117 121.578   7.887   6.349
  894    H    ARG 118           H        ARG 118 120.135   9.601  13.816
  895    HA   ARG 118           HA       ARG 118 119.877   7.340  15.444
  896   1HB   ARG 118          2HB       ARG 118 119.225  10.266  15.879
  897   2HB   ARG 118          1HB       ARG 118 119.257   9.095  17.197
  898   1HG   ARG 118          2HG       ARG 118 121.538   8.880  17.138
  899   2HG   ARG 118          1HG       ARG 118 121.616   9.103  15.389
  900   1HD   ARG 118          2HD       ARG 118 120.666  11.557  16.482
  901   2HD   ARG 118          1HD       ARG 118 122.075  11.063  17.442
  902    HE   ARG 118           HE       ARG 118 123.166  10.644  15.112
  903   1HH1  ARG 118          2HH1      ARG 118 120.297  12.202  14.602
  904   2HH1  ARG 118          1HH1      ARG 118 120.964  13.618  13.860
  905   1HH2  ARG 118          1HH2      ARG 118 124.242  12.818  14.666
  906   2HH2  ARG 118          2HH2      ARG 118 123.198  13.966  13.896
  907    H    ASP 119           H        ASP 119 117.327   9.325  14.036
  908    HA   ASP 119           HA       ASP 119 115.151   8.338  15.666
  909   1HB   ASP 119          2HB       ASP 119 115.348  10.429  14.169
  910   2HB   ASP 119          1HB       ASP 119 115.004   9.348  12.818
  911    H    ILE 120           H        ILE 120 116.535   7.337  12.540
  912    HA   ILE 120           HA       ILE 120 114.539   5.274  12.060
  913    HB   ILE 120           HB       ILE 120 116.321   6.666  10.566
  914   1HG1  ILE 120          2HG1      ILE 120 115.983   4.372   9.045
  915   2HG1  ILE 120          1HG1      ILE 120 114.661   4.275  10.209
  916   1HG2  ILE 120          1HG2      ILE 120 117.563   3.914  10.823
  917   2HG2  ILE 120          2HG2      ILE 120 118.226   5.363  11.576
  918   3HG2  ILE 120          3HG2      ILE 120 118.131   5.248   9.820
  919   1HD1  ILE 120          1HD1      ILE 120 115.035   6.976   9.126
  920   2HD1  ILE 120          2HD1      ILE 120 113.563   6.014   9.267
  921   3HD1  ILE 120          3HD1      ILE 120 114.639   5.784   7.889
  922    H    ALA 121           H        ALA 121 117.775   5.366  13.511
  923    HA   ALA 121           HA       ALA 121 118.226   2.541  13.662
  924   1HB   ALA 121          1HB       ALA 121 119.737   4.647  14.080
  925   2HB   ALA 121          2HB       ALA 121 120.039   3.182  15.015
  926   3HB   ALA 121          3HB       ALA 121 119.147   4.521  15.737
  927    H    ARG 122           H        ARG 122 116.342   4.756  15.652
  928    HA   ARG 122           HA       ARG 122 116.016   2.956  17.909
  929   1HB   ARG 122          2HB       ARG 122 114.632   5.443  16.881
  930   2HB   ARG 122          1HB       ARG 122 114.116   4.635  18.362
  931   1HG   ARG 122          2HG       ARG 122 116.368   4.893  19.310
  932   2HG   ARG 122          1HG       ARG 122 116.919   5.663  17.821
  933   1HD   ARG 122          2HD       ARG 122 115.418   7.542  18.157
  934   2HD   ARG 122          1HD       ARG 122 114.661   6.740  19.547
  935    HE   ARG 122           HE       ARG 122 117.218   8.115  19.588
  936   1HH1  ARG 122          1HH2      ARG 122 114.920   6.730  21.519
  937   2HH1  ARG 122          2HH2      ARG 122 116.010   6.093  22.703
  938   1HH2  ARG 122          2HH1      ARG 122 118.853   6.751  20.830
  939   2HH2  ARG 122          1HH1      ARG 122 118.236   6.105  22.315
  940    H    TYR 123           H        TYR 123 113.758   3.991  15.314
  941    HA   TYR 123           HA       TYR 123 111.704   2.097  15.955
  942   1HB   TYR 123          2HB       TYR 123 111.439   4.153  14.592
  943   2HB   TYR 123          1HB       TYR 123 112.436   3.434  13.327
  944    HD1  TYR 123           HD1      TYR 123 109.220   0.711  13.672
  945    HD2  TYR 123           HD2      TYR 123 111.699   1.013  12.268
  946    HE1  TYR 123           HE1      TYR 123 110.102   1.425  11.049
  947    HE2  TYR 123           HE2      TYR 123 109.202   0.717  13.633
  948    HH   TYR 123           HH       TYR 123 108.274   3.721  11.982
  949    H    LEU 124           H        LEU 124 114.522   1.932  13.798
  950    HA   LEU 124           HA       LEU 124 113.905  -0.476  12.420
  951   1HB   LEU 124          2HB       LEU 124 116.372   1.036  13.216
  952   2HB   LEU 124          1HB       LEU 124 116.556  -0.558  12.483
  953    HG   LEU 124           HG       LEU 124 114.914   1.685  11.277
  954   1HD1  LEU 124          1HD1      LEU 124 116.729   2.241   9.911
  955   2HD1  LEU 124          2HD1      LEU 124 117.538   0.698  10.188
  956   3HD1  LEU 124          3HD1      LEU 124 117.522   1.926  11.454
  957   1HD2  LEU 124          1HD2      LEU 124 114.065  -0.191  10.252
  958   2HD2  LEU 124          2HD2      LEU 124 115.506  -1.151  10.584
  959   3HD2  LEU 124          3HD2      LEU 124 115.505   0.005   9.252
  960    H    HIS 125           H        HIS 125 116.141  -0.159  15.211
  961    HA   HIS 125           HA       HIS 125 116.477  -2.880  15.803
  962   1HB   HIS 125          2HB       HIS 125 117.582  -0.808  16.793
  963   2HB   HIS 125          1HB       HIS 125 116.167  -0.652  17.833
  964    HD1  HIS 125           HD1      HIS 125 118.959  -3.106  17.045
  965    HD2  HIS 125           HD2      HIS 125 116.179  -2.337  20.056
  966    HE1  HIS 125           HE1      HIS 125 119.543  -4.646  18.968
  967    H    ALA 126           H        ALA 126 113.696  -0.829  16.416
  968    HA   ALA 126           HA       ALA 126 112.423  -2.612  18.344
  969   1HB   ALA 126          1HB       ALA 126 111.032  -0.564  16.626
  970   2HB   ALA 126          2HB       ALA 126 112.170  -0.046  17.870
  971   3HB   ALA 126          3HB       ALA 126 110.735  -0.971  18.316
  972    H    ALA 127           H        ALA 127 112.170  -2.034  14.839
  973    HA   ALA 127           HA       ALA 127 110.314  -4.383  14.639
  974   1HB   ALA 127          1HB       ALA 127 109.212  -3.191  13.018
  975   2HB   ALA 127          2HB       ALA 127 110.704  -2.519  12.362
  976   3HB   ALA 127          3HB       ALA 127 109.979  -1.813  13.805
  977    H    THR 128           H        THR 128 113.326  -4.420  14.787
  978    HA   THR 128           HA       THR 128 113.807  -5.844  12.196
  979    HB   THR 128           HB       THR 128 115.644  -3.927  13.673
  980    HG1  THR 128           HG1      THR 128 113.986  -2.911  12.509
  981   1HG2  THR 128          1HG2      THR 128 117.267  -5.107  12.630
  982   2HG2  THR 128          2HG2      THR 128 116.676  -4.356  11.149
  983   3HG2  THR 128          3HG2      THR 128 116.110  -5.961  11.610
  984    H    GLY 129           H        GLY 129 113.028  -7.109  14.599
  985   1HA   GLY 129          2HA       GLY 129 113.792  -9.166  15.566
  986   2HA   GLY 129          1HA       GLY 129 115.446  -8.728  15.135
  987    H    ASP 130           HN       ASP 130 113.275  -6.499  16.764
  988    HA   ASP 130           HA       ASP 130 115.044  -5.700  18.770
  989   1HB   ASP 130          2HB       ASP 130 112.731  -4.819  18.011
  990   2HB   ASP 130          1HB       ASP 130 112.066  -5.958  19.182
  Start of MODEL    5
    1   1H    GLY  -5          1H        GLY  -5  99.517  -7.499 -21.794
    2   2H    GLY  -5          2H        GLY  -5  98.006  -7.450 -22.571
    3   3H    GLY  -5          3H        GLY  -5  99.005  -6.076 -22.563
    4   1HA   GLY  -5          2HA       GLY  -5  99.021  -7.262 -24.711
    5   2HA   GLY  -5          1HA       GLY  -5 100.611  -7.137 -23.958
    6    H    SER  -4           H        SER  -4  97.780  -9.325 -23.741
    7    HA   SER  -4           HA       SER  -4  99.382 -11.622 -23.022
    8   1HB   SER  -4          2HB       SER  -4  97.205 -11.901 -22.359
    9   2HB   SER  -4          1HB       SER  -4  96.572 -10.941 -23.692
   10    HG   SER  -4           HG       SER  -4  96.112 -13.244 -23.784
   11    HA   PRO  -3           HA       PRO  -3  98.814 -12.967 -27.569
   12   1HB   PRO  -3          2HB       PRO  -3  97.742 -11.187 -29.349
   13   2HB   PRO  -3          1HB       PRO  -3  96.756 -12.322 -28.407
   14   1HG   PRO  -3          2HG       PRO  -3  97.257  -9.427 -27.954
   15   2HG   PRO  -3          1HG       PRO  -3  95.773 -10.365 -27.728
   16   1HD   PRO  -3          2HD       PRO  -3  97.417  -9.614 -25.682
   17   2HD   PRO  -3          1HD       PRO  -3  96.371 -11.051 -25.633
   18    H    GLY  -2           H        GLY  -2 101.130 -12.606 -27.363
   19   1HA   GLY  -2          2HA       GLY  -2 102.402 -11.205 -29.411
   20   2HA   GLY  -2          1HA       GLY  -2 102.349 -10.074 -28.058
   21    H    ILE  -1           H        ILE  -1 104.824 -10.829 -28.867
   22    HA   ILE  -1           HA       ILE  -1 105.675 -12.940 -26.914
   23    HB   ILE  -1           HB       ILE  -1 107.654 -13.125 -28.432
   24   1HG1  ILE  -1          2HG1      ILE  -1 106.262 -11.529 -30.523
   25   2HG1  ILE  -1          1HG1      ILE  -1 107.051 -10.613 -29.240
   26   1HG2  ILE  -1          1HG2      ILE  -1 105.234 -14.228 -28.748
   27   2HG2  ILE  -1          2HG2      ILE  -1 106.538 -14.501 -29.905
   28   3HG2  ILE  -1          3HG2      ILE  -1 105.292 -13.300 -30.247
   29   1HD1  ILE  -1          1HD1      ILE  -1 109.127 -11.150 -29.975
   30   2HD1  ILE  -1          2HD1      ILE  -1 108.321 -11.595 -31.478
   31   3HD1  ILE  -1          3HD1      ILE  -1 108.683 -12.831 -30.273
   32    H    HIS   0           H        HIS   0 105.956  -9.583 -27.788
   33    HA   HIS   0           HA       HIS   0 108.461  -8.959 -26.537
   34   1HB   HIS   0          2HB       HIS   0 106.849  -7.638 -28.132
   35   2HB   HIS   0          1HB       HIS   0 106.090  -7.105 -26.633
   36    HD1  HIS   0           HD1      HIS   0 109.806  -7.668 -27.163
   37    HD2  HIS   0           HD2      HIS   0 107.153  -4.526 -26.475
   38    HE1  HIS   0           HE1      HIS   0 111.223  -5.607 -26.768
   39    H    MET   1           H        MET   1 108.931  -9.102 -24.384
   40    HA   MET   1           HA       MET   1 106.688  -9.112 -22.414
   41   1HB   MET   1          2HB       MET   1 108.411 -10.142 -20.949
   42   2HB   MET   1          1HB       MET   1 108.242 -11.022 -22.467
   43   1HG   MET   1          2HG       MET   1 110.257 -10.149 -23.338
   44   2HG   MET   1          1HG       MET   1 110.300  -8.837 -22.160
   45   1HE   MET   1          1HE       MET   1 109.999 -12.987 -21.766
   46   2HE   MET   1          2HE       MET   1 111.748 -13.065 -21.963
   47   3HE   MET   1          3HE       MET   1 110.770 -12.240 -23.174
   48    H    LEU   2           H        LEU   2 109.452  -7.251 -23.458
   49    HA   LEU   2           HA       LEU   2 109.353  -5.546 -21.015
   50   1HB   LEU   2          2HB       LEU   2 111.249  -6.015 -23.307
   51   2HB   LEU   2          1HB       LEU   2 111.401  -4.560 -22.322
   52    HG   LEU   2           HG       LEU   2 111.051  -6.972 -20.701
   53   1HD1  LEU   2          1HD1      LEU   2 112.878  -8.225 -21.320
   54   2HD1  LEU   2          2HD1      LEU   2 113.753  -6.831 -21.950
   55   3HD1  LEU   2          3HD1      LEU   2 112.468  -7.570 -22.905
   56   1HD2  LEU   2          1HD2      LEU   2 111.771  -4.802 -19.805
   57   2HD2  LEU   2          2HD2      LEU   2 113.180  -4.813 -20.866
   58   3HD2  LEU   2          3HD2      LEU   2 113.044  -6.000 -19.568
   59    H    GLY   3           H        GLY   3 108.720  -3.371 -21.141
   60   1HA   GLY   3          2HA       GLY   3 107.739  -2.434 -23.810
   61   2HA   GLY   3          1HA       GLY   3 106.868  -2.101 -22.313
   62    H    GLY   4           H        GLY   4 107.609   0.031 -23.884
   63   1HA   GLY   4          2HA       GLY   4 109.936   1.192 -22.403
   64   2HA   GLY   4          1HA       GLY   4 109.528   1.639 -24.060
   65    H    SER   5           H        SER   5 106.566   1.384 -22.918
   66    HA   SER   5           HA       SER   5 106.449   4.252 -22.104
   67   1HB   SER   5          2HB       SER   5 104.540   2.237 -23.292
   68   2HB   SER   5          1HB       SER   5 103.955   3.759 -22.626
   69    HG   SER   5           HG       SER   5 105.499   4.792 -24.043
   70    H    SER   6           H        SER   6 105.130   4.850 -20.276
   71    HA   SER   6           HA       SER   6 104.556   4.634 -17.992
   72   1HB   SER   6          2HB       SER   6 102.796   2.909 -17.709
   73   2HB   SER   6          1HB       SER   6 102.585   3.808 -19.208
   74    HG   SER   6           HG       SER   6 103.261   1.160 -18.778
   75    H    ASP   7           H        ASP   7 104.245   2.535 -16.291
   76    HA   ASP   7           HA       ASP   7 105.545   1.191 -14.855
   77   1HB   ASP   7          2HB       ASP   7 105.761  -0.834 -15.890
   78   2HB   ASP   7          1HB       ASP   7 104.990  -0.009 -17.239
   79    H    ALA   8           H        ALA   8 106.872   3.694 -16.099
   80    HA   ALA   8           HA       ALA   8 109.662   2.948 -15.329
   81   1HB   ALA   8          1HB       ALA   8 110.436   4.286 -17.285
   82   2HB   ALA   8          2HB       ALA   8 108.756   4.528 -17.761
   83   3HB   ALA   8          3HB       ALA   8 109.454   2.908 -17.782
   84    H    GLY   9           H        GLY   9 107.477   5.661 -16.171
   85   1HA   GLY   9          2HA       GLY   9 108.955   7.699 -14.831
   86   2HA   GLY   9          1HA       GLY   9 107.228   7.776 -15.183
   87    H    LEU  10           H        LEU  10 106.922   5.157 -13.636
   88    HA   LEU  10           HA       LEU  10 106.165   6.299 -11.108
   89   1HB   LEU  10          2HB       LEU  10 105.013   4.394 -11.986
   90   2HB   LEU  10          1HB       LEU  10 106.516   3.503 -12.218
   91    HG   LEU  10           HG       LEU  10 106.834   3.422  -9.762
   92   1HD1  LEU  10          1HD1      LEU  10 104.098   4.157  -9.073
   93   2HD1  LEU  10          2HD1      LEU  10 104.983   5.517  -9.759
   94   3HD1  LEU  10          3HD1      LEU  10 105.612   4.680  -8.341
   95   1HD2  LEU  10          1HD2      LEU  10 105.161   1.888 -11.287
   96   2HD2  LEU  10          2HD2      LEU  10 104.060   2.420 -10.016
   97   3HD2  LEU  10          3HD2      LEU  10 105.537   1.551  -9.598
   98    H    ALA  11           H        ALA  11 108.849   4.092 -12.000
   99    HA   ALA  11           HA       ALA  11 110.032   4.134  -9.349
  100   1HB   ALA  11          1HB       ALA  11 110.166   2.421 -11.315
  101   2HB   ALA  11          2HB       ALA  11 111.609   2.691 -10.339
  102   3HB   ALA  11          3HB       ALA  11 111.457   3.461 -11.918
  103    H    THR  12           H        THR  12 110.975   5.645 -12.463
  104    HA   THR  12           HA       THR  12 113.265   7.041 -11.539
  105    HB   THR  12           HB       THR  12 112.835   8.452 -13.542
  106    HG1  THR  12           HG1      THR  12 110.420   6.994 -13.747
  107   1HG2  THR  12          1HG2      THR  12 112.651   5.485 -13.558
  108   2HG2  THR  12          2HG2      THR  12 113.852   6.544 -14.297
  109   3HG2  THR  12          3HG2      THR  12 112.287   6.309 -15.075
  110    H    ALA  13           H        ALA  13 109.877   8.218 -11.777
  111    HA   ALA  13           HA       ALA  13 110.338  10.820 -10.709
  112   1HB   ALA  13          1HB       ALA  13 107.908   9.008 -10.512
  113   2HB   ALA  13          2HB       ALA  13 108.298  10.043 -11.886
  114   3HB   ALA  13          3HB       ALA  13 107.899  10.762 -10.326
  115    H    ALA  14           H        ALA  14 109.622   7.726  -9.103
  116    HA   ALA  14           HA       ALA  14 109.261   8.733  -6.450
  117   1HB   ALA  14          1HB       ALA  14 110.025   6.138  -7.752
  118   2HB   ALA  14          2HB       ALA  14 108.591   6.525  -6.802
  119   3HB   ALA  14          3HB       ALA  14 110.139   6.272  -5.998
  120    H    ALA  15           H        ALA  15 112.149   8.009  -8.338
  121    HA   ALA  15           HA       ALA  15 113.967   8.217  -6.039
  122   1HB   ALA  15          1HB       ALA  15 114.027   6.979  -8.458
  123   2HB   ALA  15          2HB       ALA  15 115.485   7.377  -7.547
  124   3HB   ALA  15          3HB       ALA  15 114.936   8.442  -8.840
  125    H    ARG  16           H        ARG  16 112.840  10.273  -8.691
  126    HA   ARG  16           HA       ARG  16 114.759  12.412  -8.214
  127   1HB   ARG  16          2HB       ARG  16 113.659  11.952 -10.382
  128   2HB   ARG  16          1HB       ARG  16 112.091  12.320  -9.662
  129   1HG   ARG  16          2HG       ARG  16 112.830  14.302 -10.820
  130   2HG   ARG  16          1HG       ARG  16 112.992  14.613  -9.092
  131   1HD   ARG  16          2HD       ARG  16 115.020  15.356 -10.313
  132   2HD   ARG  16          1HD       ARG  16 115.408  14.002  -9.232
  133    HE   ARG  16           HE       ARG  16 114.578  13.128 -11.890
  134   1HH1  ARG  16          2HH1      ARG  16 117.106  15.119 -11.294
  135   2HH1  ARG  16          1HH1      ARG  16 118.365  13.979 -11.632
  136   1HH2  ARG  16          1HH2      ARG  16 116.230  11.250 -11.734
  137   2HH2  ARG  16          2HH2      ARG  16 117.869  11.789 -11.882
  138    H    GLY  17           H        GLY  17 111.621  11.534  -6.927
  139   1HA   GLY  17          2HA       GLY  17 110.872  12.433  -4.789
  140   2HA   GLY  17          1HA       GLY  17 111.748  13.921  -5.149
  141    H    GLN  18           H        GLN  18 109.466  12.073  -7.170
  142    HA   GLN  18           HA       GLN  18 107.768  14.543  -7.313
  143   1HB   GLN  18          2HB       GLN  18 109.009  12.779  -9.298
  144   2HB   GLN  18          1HB       GLN  18 107.284  13.007  -9.584
  145   1HG   GLN  18          2HG       GLN  18 108.760  15.469  -8.874
  146   2HG   GLN  18          1HG       GLN  18 109.209  14.755 -10.423
  147   1HE2  GLN  18          1HE2      GLN  18 108.059  15.914 -11.987
  148   2HE2  GLN  18          2HE2      GLN  18 106.397  16.249 -11.913
  149    H    VAL  19           H        VAL  19 106.247  13.922  -5.731
  150    HA   VAL  19           HA       VAL  19 105.078  11.253  -5.644
  151    HB   VAL  19           HB       VAL  19 104.555  13.939  -4.349
  152   1HG1  VAL  19          1HG1      VAL  19 102.395  12.685  -4.583
  153   2HG1  VAL  19          2HG1      VAL  19 102.900  12.884  -2.907
  154   3HG1  VAL  19          3HG1      VAL  19 103.129  11.335  -3.717
  155   1HG2  VAL  19          1HG2      VAL  19 106.565  12.530  -3.738
  156   2HG2  VAL  19          2HG2      VAL  19 105.445  11.290  -3.177
  157   3HG2  VAL  19          3HG2      VAL  19 105.479  12.870  -2.392
  158    H    GLU  20           H        GLU  20 104.062  14.435  -6.901
  159    HA   GLU  20           HA       GLU  20 101.381  13.790  -7.599
  160   1HB   GLU  20          2HB       GLU  20 103.469  15.678  -8.705
  161   2HB   GLU  20          1HB       GLU  20 101.812  15.662  -9.309
  162   1HG   GLU  20          2HG       GLU  20 101.062  15.932  -6.887
  163   2HG   GLU  20          1HG       GLU  20 102.750  16.269  -6.498
  164    H    THR  21           H        THR  21 104.371  13.523  -9.553
  165    HA   THR  21           HA       THR  21 103.112  12.537 -11.933
  166    HB   THR  21           HB       THR  21 105.905  12.160 -10.804
  167    HG1  THR  21           HG1      THR  21 105.059  14.340 -11.182
  168   1HG2  THR  21          1HG2      THR  21 106.508  11.890 -13.237
  169   2HG2  THR  21          2HG2      THR  21 104.784  11.776 -13.589
  170   3HG2  THR  21          3HG2      THR  21 105.560  10.560 -12.574
  171    H    VAL  22           H        VAL  22 104.574  10.833  -9.153
  172    HA   VAL  22           HA       VAL  22 104.185   8.179 -10.229
  173    HB   VAL  22           HB       VAL  22 104.514   9.213  -7.393
  174   1HG1  VAL  22          1HG1      VAL  22 103.945   6.597  -8.339
  175   2HG1  VAL  22          2HG1      VAL  22 104.420   7.071  -6.708
  176   3HG1  VAL  22          3HG1      VAL  22 105.650   6.612  -7.885
  177   1HG2  VAL  22          1HG2      VAL  22 106.291   9.808  -9.133
  178   2HG2  VAL  22          2HG2      VAL  22 106.617   8.078  -9.254
  179   3HG2  VAL  22          3HG2      VAL  22 106.868   8.918  -7.723
  180    H    ARG  23           H        ARG  23 102.322  10.141  -7.882
  181    HA   ARG  23           HA       ARG  23 100.316   8.225  -7.255
  182   1HB   ARG  23          2HB       ARG  23 100.972  10.785  -6.554
  183   2HB   ARG  23          1HB       ARG  23  99.509  11.066  -7.495
  184   1HG   ARG  23          2HG       ARG  23  98.207  10.266  -5.839
  185   2HG   ARG  23          1HG       ARG  23  99.169   8.792  -5.720
  186   1HD   ARG  23          2HD       ARG  23 100.902  10.261  -4.457
  187   2HD   ARG  23          1HD       ARG  23  99.563  11.410  -4.266
  188    HE   ARG  23           HE       ARG  23  98.560   8.850  -3.588
  189   1HH1  ARG  23          2HH1      ARG  23 101.548   9.928  -2.582
  190   2HH1  ARG  23          1HH1      ARG  23 101.166   9.996  -0.895
  191   1HH2  ARG  23          1HH2      ARG  23  97.773   9.454  -1.371
  192   2HH2  ARG  23          2HH2      ARG  23  99.027   9.728  -0.209
  193    H    GLN  24           H        GLN  24 100.481  10.600  -9.910
  194    HA   GLN  24           HA       GLN  24  97.829  10.034 -10.933
  195   1HB   GLN  24          2HB       GLN  24 100.256  11.578 -11.665
  196   2HB   GLN  24          1HB       GLN  24  99.196  11.141 -13.005
  197   1HG   GLN  24          2HG       GLN  24  98.421  13.261 -12.192
  198   2HG   GLN  24          1HG       GLN  24  97.266  12.053 -11.627
  199   1HE2  GLN  24          1HE2      GLN  24  99.673  14.385 -10.597
  200   2HE2  GLN  24          2HE2      GLN  24  99.467  14.149  -8.928
  201    H    LEU  25           H        LEU  25 101.110   8.980 -11.901
  202    HA   LEU  25           HA       LEU  25 100.313   7.432 -14.172
  203   1HB   LEU  25          2HB       LEU  25 102.653   8.104 -12.723
  204   2HB   LEU  25          1HB       LEU  25 102.612   6.344 -12.796
  205    HG   LEU  25           HG       LEU  25 102.264   8.161 -15.197
  206   1HD1  LEU  25          1HD1      LEU  25 104.655   6.413 -14.765
  207   2HD1  LEU  25          2HD1      LEU  25 104.583   7.957 -13.916
  208   3HD1  LEU  25          3HD1      LEU  25 104.518   7.916 -15.678
  209   1HD2  LEU  25          1HD2      LEU  25 101.219   5.818 -15.177
  210   2HD2  LEU  25          2HD2      LEU  25 102.869   5.197 -15.112
  211   3HD2  LEU  25          3HD2      LEU  25 102.341   6.156 -16.494
  212    H    LEU  26           H        LEU  26 100.936   6.421 -10.787
  213    HA   LEU  26           HA       LEU  26 100.462   3.656 -11.055
  214   1HB   LEU  26          2HB       LEU  26 100.364   5.727  -8.946
  215   2HB   LEU  26          1HB       LEU  26  99.455   4.259  -8.585
  216    HG   LEU  26           HG       LEU  26 102.254   4.076  -9.671
  217   1HD1  LEU  26          1HD1      LEU  26 103.097   4.024  -7.359
  218   2HD1  LEU  26          2HD1      LEU  26 101.478   4.374  -6.753
  219   3HD1  LEU  26          3HD1      LEU  26 102.344   5.580  -7.706
  220   1HD2  LEU  26          1HD2      LEU  26 100.701   2.316  -7.750
  221   2HD2  LEU  26          2HD2      LEU  26 102.206   1.918  -8.579
  222   3HD2  LEU  26          3HD2      LEU  26 100.711   2.081  -9.498
  223    H    GLU  27           H        GLU  27  98.023   5.986  -9.820
  224    HA   GLU  27           HA       GLU  27  95.803   4.215 -10.087
  225   1HB   GLU  27          2HB       GLU  27  94.502   6.322  -9.851
  226   2HB   GLU  27          1HB       GLU  27  95.840   6.249  -8.706
  227   1HG   GLU  27          2HG       GLU  27  96.350   8.315  -9.503
  228   2HG   GLU  27          1HG       GLU  27  97.044   7.436 -10.865
  229    H    ALA  28           H        ALA  28  97.581   5.949 -12.494
  230    HA   ALA  28           HA       ALA  28  95.387   6.070 -14.445
  231   1HB   ALA  28          1HB       ALA  28  97.042   7.799 -14.490
  232   2HB   ALA  28          2HB       ALA  28  97.365   6.798 -15.905
  233   3HB   ALA  28          3HB       ALA  28  98.361   6.630 -14.460
  234    H    GLY  29           H        GLY  29  98.267   4.039 -13.869
  235   1HA   GLY  29          2HA       GLY  29  97.227   1.691 -14.930
  236   2HA   GLY  29          1HA       GLY  29  97.982   2.524 -16.280
  237    H    ALA  30           H        ALA  30 100.022   3.701 -14.333
  238    HA   ALA  30           HA       ALA  30 102.206   2.036 -14.786
  239   1HB   ALA  30          1HB       ALA  30 102.055   3.419 -12.153
  240   2HB   ALA  30          2HB       ALA  30 101.766   4.408 -13.584
  241   3HB   ALA  30          3HB       ALA  30 103.286   3.532 -13.409
  242    H    ASP  31           H        ASP  31 102.700  -0.005 -14.109
  243    HA   ASP  31           HA       ASP  31 101.136  -1.306 -11.989
  244   1HB   ASP  31          2HB       ASP  31 103.298  -2.073 -13.947
  245   2HB   ASP  31          1HB       ASP  31 102.799  -3.191 -12.679
  246    HA   PRO  32           HA       PRO  32 104.211  -0.155  -8.958
  247   1HB   PRO  32          2HB       PRO  32 103.061  -1.419  -6.828
  248   2HB   PRO  32          1HB       PRO  32 102.464   0.122  -7.471
  249   1HG   PRO  32          2HG       PRO  32 101.397  -2.622  -7.844
  250   2HG   PRO  32          1HG       PRO  32 100.536  -1.084  -7.695
  251   1HD   PRO  32          2HD       PRO  32 100.983  -2.398 -10.070
  252   2HD   PRO  32          1HD       PRO  32 100.665  -0.656  -9.925
  253    H    ASN  33           H        ASN  33 103.454  -3.295 -10.100
  254    HA   ASN  33           HA       ASN  33 105.658  -4.531  -8.493
  255   1HB   ASN  33          2HB       ASN  33 103.021  -5.302  -9.178
  256   2HB   ASN  33          1HB       ASN  33 104.088  -6.353 -10.108
  257   1HD2  ASN  33          1HD2      ASN  33 104.395  -4.934  -6.799
  258   2HD2  ASN  33          2HD2      ASN  33 104.666  -6.422  -6.030
  259    H    ALA  34           H        ALA  34 105.986  -2.783 -10.924
  260    HA   ALA  34           HA       ALA  34 107.249  -4.800 -12.757
  261   1HB   ALA  34          1HB       ALA  34 106.326  -2.000 -13.446
  262   2HB   ALA  34          2HB       ALA  34 105.241  -3.389 -13.517
  263   3HB   ALA  34          3HB       ALA  34 106.667  -3.331 -14.553
  264    H    LEU  35           H        LEU  35 109.401  -4.769 -12.051
  265    HA   LEU  35           HA       LEU  35 110.709  -2.241 -11.307
  266   1HB   LEU  35          2HB       LEU  35 112.492  -3.675 -10.628
  267   2HB   LEU  35          1HB       LEU  35 111.022  -4.582 -10.278
  268    HG   LEU  35           HG       LEU  35 111.407  -5.467 -12.766
  269   1HD1  LEU  35          1HD1      LEU  35 113.335  -4.480 -13.539
  270   2HD1  LEU  35          2HD1      LEU  35 114.077  -5.836 -12.689
  271   3HD1  LEU  35          3HD1      LEU  35 113.991  -4.252 -11.918
  272   1HD2  LEU  35          1HD2      LEU  35 112.321  -7.441 -11.812
  273   2HD2  LEU  35          2HD2      LEU  35 111.413  -6.698 -10.496
  274   3HD2  LEU  35          3HD2      LEU  35 113.169  -6.538 -10.556
  275    H    ASN  36           H        ASN  36 112.324  -1.204 -12.535
  276    HA   ASN  36           HA       ASN  36 112.435  -1.987 -15.419
  277   1HB   ASN  36          2HB       ASN  36 113.074   0.584 -13.930
  278   2HB   ASN  36          1HB       ASN  36 113.146   0.390 -15.682
  279   1HD2  ASN  36          1HD2      ASN  36 111.005   0.929 -12.986
  280   2HD2  ASN  36          2HD2      ASN  36 109.562   0.961 -13.879
  281    H    ARG  37           H        ARG  37 114.843  -0.424 -15.894
  282    HA   ARG  37           HA       ARG  37 116.874  -2.375 -15.552
  283   1HB   ARG  37          2HB       ARG  37 118.363  -0.475 -16.189
  284   2HB   ARG  37          1HB       ARG  37 116.918  -0.555 -17.198
  285   1HG   ARG  37          2HG       ARG  37 115.913   1.285 -16.124
  286   2HG   ARG  37          1HG       ARG  37 116.959   1.146 -14.711
  287   1HD   ARG  37          2HD       ARG  37 117.720   3.047 -16.036
  288   2HD   ARG  37          1HD       ARG  37 118.915   1.747 -16.216
  289    HE   ARG  37           HE       ARG  37 116.987   2.613 -18.281
  290   1HH1  ARG  37          2HH1      ARG  37 120.038   1.457 -17.831
  291   2HH1  ARG  37          1HH1      ARG  37 119.982   0.240 -19.062
  292   1HH2  ARG  37          1HH2      ARG  37 116.566   0.542 -19.578
  293   2HH2  ARG  37          2HH2      ARG  37 118.017  -0.277 -20.052
  294    H    PHE  38           H        PHE  38 119.079  -1.323 -14.411
  295    HA   PHE  38           HA       PHE  38 120.165  -0.844 -12.368
  296   1HB   PHE  38          2HB       PHE  38 118.105   0.930 -12.619
  297   2HB   PHE  38          1HB       PHE  38 117.679   0.147 -11.098
  298    HD1  PHE  38           HD1      PHE  38 120.920   1.145 -12.720
  299    HD2  PHE  38           HD2      PHE  38 118.381   1.383  -9.264
  300    HE1  PHE  38           HE1      PHE  38 122.644   2.486 -11.547
  301    HE2  PHE  38           HE2      PHE  38 120.106   2.725  -8.090
  302    HZ   PHE  38           HZ       PHE  38 122.236   3.276  -9.231
  303    H    GLY  39           H        GLY  39 117.752  -3.105 -12.731
  304   1HA   GLY  39          2HA       GLY  39 116.905  -4.841 -11.400
  305   2HA   GLY  39          1HA       GLY  39 118.545  -4.869 -10.761
  306    H    ARG  40           H        ARG  40 116.378  -2.112 -10.381
  307    HA   ARG  40           HA       ARG  40 116.507  -2.523  -7.426
  308   1HB   ARG  40          2HB       ARG  40 116.508  -0.273  -9.321
  309   2HB   ARG  40          1HB       ARG  40 115.454  -0.014  -7.931
  310   1HG   ARG  40          2HG       ARG  40 117.653  -1.055  -6.702
  311   2HG   ARG  40          1HG       ARG  40 118.406  -0.204  -8.051
  312   1HD   ARG  40          2HD       ARG  40 117.062   1.843  -7.413
  313   2HD   ARG  40          1HD       ARG  40 116.559   0.974  -5.949
  314    HE   ARG  40           HE       ARG  40 119.213   2.067  -6.439
  315   1HH1  ARG  40          2HH1      ARG  40 117.892   1.746  -3.741
  316   2HH1  ARG  40          1HH1      ARG  40 118.846   0.485  -3.032
  317   1HH2  ARG  40          1HH2      ARG  40 120.245  -0.511  -6.045
  318   2HH2  ARG  40          2HH2      ARG  40 120.177  -0.793  -4.337
  319    H    ARG  41           H        ARG  41 114.363  -1.091  -6.573
  320    HA   ARG  41           HA       ARG  41 111.994  -2.560  -7.694
  321   1HB   ARG  41          2HB       ARG  41 112.422  -1.550  -4.864
  322   2HB   ARG  41          1HB       ARG  41 111.218  -2.709  -5.412
  323   1HG   ARG  41          2HG       ARG  41 113.740  -3.741  -6.201
  324   2HG   ARG  41          1HG       ARG  41 113.910  -3.208  -4.529
  325   1HD   ARG  41          2HD       ARG  41 113.036  -5.310  -4.119
  326   2HD   ARG  41          1HD       ARG  41 111.501  -4.452  -4.366
  327    HE   ARG  41           HE       ARG  41 111.402  -5.339  -6.609
  328   1HH1  ARG  41          1HH2      ARG  41 114.652  -5.466  -5.876
  329   2HH1  ARG  41          2HH2      ARG  41 114.928  -7.051  -6.517
  330   1HH2  ARG  41          2HH1      ARG  41 111.562  -7.729  -7.003
  331   2HH2  ARG  41          1HH1      ARG  41 113.179  -8.331  -7.154
  332    HA   PRO  42           HA       PRO  42 109.911   1.291  -8.158
  333   1HB   PRO  42          2HB       PRO  42 107.529   1.054  -6.826
  334   2HB   PRO  42          1HB       PRO  42 107.873   0.224  -8.357
  335   1HG   PRO  42          2HG       PRO  42 107.950  -0.832  -5.574
  336   2HG   PRO  42          1HG       PRO  42 107.374  -1.604  -7.060
  337   1HD   PRO  42          2HD       PRO  42 109.785  -2.147  -5.942
  338   2HD   PRO  42          1HD       PRO  42 109.477  -2.271  -7.686
  339    H    ILE  43           H        ILE  43 110.471   0.225  -4.886
  340    HA   ILE  43           HA       ILE  43 110.183   3.053  -3.922
  341    HB   ILE  43           HB       ILE  43 109.990   0.374  -2.509
  342   1HG1  ILE  43          2HG1      ILE  43 107.973   2.577  -3.057
  343   2HG1  ILE  43          1HG1      ILE  43 108.011   0.996  -3.834
  344   1HG2  ILE  43          1HG2      ILE  43 111.070   2.038  -1.050
  345   2HG2  ILE  43          2HG2      ILE  43 109.426   1.715  -0.497
  346   3HG2  ILE  43          3HG2      ILE  43 109.780   3.191  -1.395
  347   1HD1  ILE  43          1HD1      ILE  43 107.694  -0.078  -1.612
  348   2HD1  ILE  43          2HD1      ILE  43 106.354   0.990  -2.030
  349   3HD1  ILE  43          3HD1      ILE  43 107.579   1.522  -0.879
  350    H    GLN  44           H        GLN  44 112.264   0.175  -3.953
  351    HA   GLN  44           HA       GLN  44 114.329   0.989  -2.215
  352   1HB   GLN  44          2HB       GLN  44 113.900  -1.161  -3.649
  353   2HB   GLN  44          1HB       GLN  44 114.866  -0.330  -4.868
  354   1HG   GLN  44          2HG       GLN  44 116.576   0.050  -2.960
  355   2HG   GLN  44          1HG       GLN  44 115.689  -1.214  -2.107
  356   1HE2  GLN  44          1HE2      GLN  44 118.448  -1.469  -3.091
  357   2HE2  GLN  44          2HE2      GLN  44 118.445  -2.718  -4.240
  358    H    VAL  45           H        VAL  45 113.572   2.095  -5.470
  359    HA   VAL  45           HA       VAL  45 116.091   3.648  -5.660
  360    HB   VAL  45           HB       VAL  45 115.117   2.344  -7.566
  361   1HG1  VAL  45          1HG1      VAL  45 112.740   2.689  -7.088
  362   2HG1  VAL  45          2HG1      VAL  45 113.113   3.299  -8.699
  363   3HG1  VAL  45          3HG1      VAL  45 112.915   4.422  -7.355
  364   1HG2  VAL  45          1HG2      VAL  45 115.472   4.071  -9.230
  365   2HG2  VAL  45          2HG2      VAL  45 116.572   4.376  -7.885
  366   3HG2  VAL  45          3HG2      VAL  45 115.104   5.337  -8.059
  367    H    MET  46           H        MET  46 113.088   4.085  -4.251
  368    HA   MET  46           HA       MET  46 112.224   6.673  -4.980
  369   1HB   MET  46          2HB       MET  46 111.330   4.804  -3.355
  370   2HB   MET  46          1HB       MET  46 112.239   5.692  -2.135
  371   1HG   MET  46          2HG       MET  46 110.812   7.631  -3.623
  372   2HG   MET  46          1HG       MET  46 109.676   6.323  -3.299
  373   1HE   MET  46          1HE       MET  46 109.858   5.856   0.506
  374   2HE   MET  46          2HE       MET  46 111.195   5.234  -0.457
  375   3HE   MET  46          3HE       MET  46 109.550   5.135  -1.080
  376    H    MET  47           H        MET  47 112.660   8.754  -3.992
  377    HA   MET  47           HA       MET  47 115.450   9.266  -3.398
  378   1HB   MET  47          2HB       MET  47 113.663  10.755  -4.500
  379   2HB   MET  47          1HB       MET  47 113.074  11.066  -2.867
  380   1HG   MET  47          2HG       MET  47 115.999  11.365  -3.231
  381   2HG   MET  47          1HG       MET  47 115.010  12.550  -4.084
  382   1HE   MET  47          1HE       MET  47 113.235  13.856  -3.183
  383   2HE   MET  47          2HE       MET  47 112.982  14.337  -1.508
  384   3HE   MET  47          3HE       MET  47 112.387  12.777  -2.067
  385    H    MET  48           H        MET  48 112.933   8.053  -1.489
  386    HA   MET  48           HA       MET  48 112.654   7.777   0.830
  387   1HB   MET  48          2HB       MET  48 115.640   8.292   0.631
  388   2HB   MET  48          1HB       MET  48 114.833   7.565   2.020
  389   1HG   MET  48          2HG       MET  48 114.783   6.440  -0.798
  390   2HG   MET  48          1HG       MET  48 115.807   5.845   0.508
  391   1HE   MET  48          1HE       MET  48 114.439   4.201  -1.057
  392   2HE   MET  48          2HE       MET  48 112.681   4.105  -1.051
  393   3HE   MET  48          3HE       MET  48 113.615   3.049   0.003
  394    H    GLY  49           H        GLY  49 112.569  10.561  -0.398
  395   1HA   GLY  49          2HA       GLY  49 113.108  12.101   2.110
  396   2HA   GLY  49          1HA       GLY  49 113.238  12.811   0.500
  397    H    SER  50           H        SER  50 110.708  10.936  -0.015
  398    HA   SER  50           HA       SER  50 108.712  12.831   1.173
  399   1HB   SER  50          2HB       SER  50 109.235  11.925  -1.634
  400   2HB   SER  50          1HB       SER  50 107.574  12.270  -1.163
  401    HG   SER  50           HG       SER  50 109.794  14.013  -0.823
  402    H    ALA  51           H        ALA  51 107.504  11.592   2.559
  403    HA   ALA  51           HA       ALA  51 107.259   8.737   2.447
  404   1HB   ALA  51          1HB       ALA  51 105.255  10.607   3.704
  405   2HB   ALA  51          2HB       ALA  51 106.892  10.482   4.348
  406   3HB   ALA  51          3HB       ALA  51 105.849   9.061   4.311
  407    H    GLN  52           H        GLN  52 105.707  11.196   0.608
  408    HA   GLN  52           HA       GLN  52 103.191   9.827   0.133
  409   1HB   GLN  52          2HB       GLN  52 104.097  11.609  -1.981
  410   2HB   GLN  52          1HB       GLN  52 102.659  11.712  -0.993
  411   1HG   GLN  52          2HG       GLN  52 104.069  12.640   0.854
  412   2HG   GLN  52          1HG       GLN  52 105.437  12.673  -0.256
  413   1HE2  GLN  52          1HE2      GLN  52 101.958  13.651  -0.463
  414   2HE2  GLN  52          2HE2      GLN  52 102.284  15.173  -1.141
  415    H    VAL  53           H        VAL  53 106.400   9.566  -1.181
  416    HA   VAL  53           HA       VAL  53 105.534   8.180  -3.628
  417    HB   VAL  53           HB       VAL  53 108.275   8.447  -2.353
  418   1HG1  VAL  53          1HG1      VAL  53 109.108   8.046  -4.583
  419   2HG1  VAL  53          2HG1      VAL  53 107.479   8.103  -5.255
  420   3HG1  VAL  53          3HG1      VAL  53 107.954   6.766  -4.208
  421   1HG2  VAL  53          1HG2      VAL  53 108.515  10.404  -3.913
  422   2HG2  VAL  53          2HG2      VAL  53 107.333  10.673  -2.631
  423   3HG2  VAL  53          3HG2      VAL  53 106.791  10.279  -4.263
  424    H    ALA  54           H        ALA  54 106.897   7.324  -0.458
  425    HA   ALA  54           HA       ALA  54 107.313   4.522  -1.046
  426   1HB   ALA  54          1HB       ALA  54 106.792   5.092   1.742
  427   2HB   ALA  54          2HB       ALA  54 107.768   6.383   1.042
  428   3HB   ALA  54          3HB       ALA  54 108.328   4.713   0.964
  429    H    GLU  55           H        GLU  55 104.808   6.134   0.956
  430    HA   GLU  55           HA       GLU  55 103.159   3.851   1.349
  431   1HB   GLU  55          2HB       GLU  55 103.177   6.203   2.426
  432   2HB   GLU  55          1HB       GLU  55 102.174   6.693   1.059
  433   1HG   GLU  55          2HG       GLU  55 101.332   4.204   2.431
  434   2HG   GLU  55          1HG       GLU  55 101.159   5.687   3.371
  435    H    LEU  56           H        LEU  56 102.978   6.396  -1.159
  436    HA   LEU  56           HA       LEU  56 100.660   5.581  -2.521
  437   1HB   LEU  56          2HB       LEU  56 101.846   7.626  -3.022
  438   2HB   LEU  56          1HB       LEU  56 103.294   6.733  -3.484
  439    HG   LEU  56           HG       LEU  56 102.048   5.714  -5.371
  440   1HD1  LEU  56          1HD1      LEU  56  99.824   7.458  -4.288
  441   2HD1  LEU  56          2HD1      LEU  56  99.795   5.716  -4.561
  442   3HD1  LEU  56          3HD1      LEU  56  99.819   6.824  -5.933
  443   1HD2  LEU  56          1HD2      LEU  56 103.192   8.127  -5.321
  444   2HD2  LEU  56          2HD2      LEU  56 101.538   8.648  -5.645
  445   3HD2  LEU  56          3HD2      LEU  56 102.348   7.542  -6.754
  446    H    LEU  57           H        LEU  57 104.022   4.545  -3.237
  447    HA   LEU  57           HA       LEU  57 103.243   2.606  -5.226
  448   1HB   LEU  57          2HB       LEU  57 105.659   3.489  -3.751
  449   2HB   LEU  57          1HB       LEU  57 105.718   1.845  -4.388
  450    HG   LEU  57           HG       LEU  57 104.911   4.242  -6.051
  451   1HD1  LEU  57          1HD1      LEU  57 107.482   3.041  -6.700
  452   2HD1  LEU  57          2HD1      LEU  57 107.472   3.684  -5.059
  453   3HD1  LEU  57          3HD1      LEU  57 107.081   4.735  -6.420
  454   1HD2  LEU  57          1HD2      LEU  57 105.716   2.476  -7.837
  455   2HD2  LEU  57          2HD2      LEU  57 104.101   2.341  -7.142
  456   3HD2  LEU  57          3HD2      LEU  57 105.407   1.319  -6.543
  457    H    LEU  58           H        LEU  58 103.693   2.434  -1.717
  458    HA   LEU  58           HA       LEU  58 103.723  -0.474  -1.604
  459   1HB   LEU  58          2HB       LEU  58 104.485   1.499   0.047
  460   2HB   LEU  58          1HB       LEU  58 102.879   1.201   0.715
  461    HG   LEU  58           HG       LEU  58 105.032  -0.895   0.289
  462   1HD1  LEU  58          1HD1      LEU  58 105.627   0.457   2.174
  463   2HD1  LEU  58          2HD1      LEU  58 104.873  -0.997   2.828
  464   3HD1  LEU  58          3HD1      LEU  58 103.960   0.509   2.745
  465   1HD2  LEU  58          1HD2      LEU  58 103.383  -2.279   1.675
  466   2HD2  LEU  58          2HD2      LEU  58 102.905  -1.953   0.009
  467   3HD2  LEU  58          3HD2      LEU  58 102.192  -1.025   1.328
  468    H    LEU  59           H        LEU  59 101.229   1.934  -0.613
  469    HA   LEU  59           HA       LEU  59  99.177   0.100   0.005
  470   1HB   LEU  59          2HB       LEU  59  97.731   2.007  -0.175
  471   2HB   LEU  59          1HB       LEU  59  99.298   2.629   0.333
  472    HG   LEU  59           HG       LEU  59  99.678   2.847  -2.290
  473   1HD1  LEU  59          1HD1      LEU  59  97.764   2.105  -3.323
  474   2HD1  LEU  59          2HD1      LEU  59  97.244   3.763  -3.016
  475   3HD1  LEU  59          3HD1      LEU  59  96.748   2.467  -1.928
  476   1HD2  LEU  59          1HD2      LEU  59  98.019   4.715  -0.568
  477   2HD2  LEU  59          2HD2      LEU  59  98.732   5.175  -2.113
  478   3HD2  LEU  59          3HD2      LEU  59  99.772   4.731  -0.760
  479    H    HIS  60           H        HIS  60 100.343   1.182  -3.130
  480    HA   HIS  60           HA       HIS  60  98.077   0.171  -4.661
  481   1HB   HIS  60          2HB       HIS  60 100.783   1.332  -5.113
  482   2HB   HIS  60          1HB       HIS  60 100.118   0.365  -6.428
  483    HD1  HIS  60           HD1      HIS  60  98.306   1.416  -7.840
  484    HD2  HIS  60           HD2      HIS  60  99.056   3.592  -4.365
  485    HE1  HIS  60           HE1      HIS  60  96.983   3.566  -8.040
  486    H    GLY  61           H        GLY  61 101.474  -0.959  -4.352
  487   1HA   GLY  61          2HA       GLY  61 101.166  -3.591  -3.745
  488   2HA   GLY  61          1HA       GLY  61 100.776  -3.548  -5.460
  489    H    ALA  62           H        ALA  62 103.215  -1.672  -3.665
  490    HA   ALA  62           HA       ALA  62 105.220  -2.161  -5.722
  491   1HB   ALA  62          1HB       ALA  62 106.587  -1.038  -3.709
  492   2HB   ALA  62          2HB       ALA  62 104.955  -0.699  -3.132
  493   3HB   ALA  62          3HB       ALA  62 105.475  -0.100  -4.707
  494    H    GLU  63           H        GLU  63 107.556  -2.638  -4.434
  495    HA   GLU  63           HA       GLU  63 107.168  -5.360  -3.235
  496   1HB   GLU  63          2HB       GLU  63 109.023  -4.143  -5.230
  497   2HB   GLU  63          1HB       GLU  63 109.691  -5.389  -4.176
  498   1HG   GLU  63          2HG       GLU  63 108.844  -6.815  -5.742
  499   2HG   GLU  63          1HG       GLU  63 107.328  -6.549  -4.880
  500    HA   PRO  64           HA       PRO  64 109.203  -2.731  -0.034
  501   1HB   PRO  64          2HB       PRO  64 107.673  -3.598   2.060
  502   2HB   PRO  64          1HB       PRO  64 107.192  -2.254   1.007
  503   1HG   PRO  64          2HG       PRO  64 106.253  -5.067   1.028
  504   2HG   PRO  64          1HG       PRO  64 105.364  -3.581   0.668
  505   1HD   PRO  64          2HD       PRO  64 106.304  -5.346  -1.229
  506   2HD   PRO  64          1HD       PRO  64 105.926  -3.638  -1.535
  507    H    ASN  65           H        ASN  65 108.316  -6.130  -0.192
  508    HA   ASN  65           HA       ASN  65 110.349  -6.893   1.827
  509   1HB   ASN  65          2HB       ASN  65 108.170  -7.976   1.861
  510   2HB   ASN  65          1HB       ASN  65 108.314  -8.406   0.158
  511   1HD2  ASN  65          1HD2      ASN  65 111.049  -8.653   2.424
  512   2HD2  ASN  65          2HD2      ASN  65 111.128 -10.348   2.407
  513    H    CYS  66           H        CYS  66 109.689  -7.306  -1.660
  514    HA   CYS  66           HA       CYS  66 111.837  -8.980  -2.368
  515   1HB   CYS  66          2HB       CYS  66 109.925  -7.267  -3.596
  516   2HB   CYS  66          1HB       CYS  66 111.483  -7.000  -4.363
  517    HG   CYS  66           HG       CYS  66 110.614  -9.951  -4.047
  518    H    ALA  67           H        ALA  67 114.002  -8.523  -3.083
  519    HA   ALA  67           HA       ALA  67 115.032  -5.768  -2.568
  520   1HB   ALA  67          1HB       ALA  67 115.172  -7.826  -0.730
  521   2HB   ALA  67          2HB       ALA  67 116.256  -6.437  -0.771
  522   3HB   ALA  67          3HB       ALA  67 116.728  -7.945  -1.551
  523    H    ASP  68           H        ASP  68 117.644  -6.067  -3.014
  524    HA   ASP  68           HA       ASP  68 117.789  -6.941  -5.833
  525   1HB   ASP  68          2HB       ASP  68 118.654  -4.751  -4.699
  526   2HB   ASP  68          1HB       ASP  68 120.000  -5.754  -4.164
  527    HA   PRO  69           HA       PRO  69 119.630 -10.769  -4.418
  528   1HB   PRO  69          2HB       PRO  69 120.093 -11.839  -6.894
  529   2HB   PRO  69          1HB       PRO  69 118.492 -11.829  -6.127
  530   1HG   PRO  69          2HG       PRO  69 119.586 -10.055  -8.247
  531   2HG   PRO  69          1HG       PRO  69 117.951 -10.704  -8.048
  532   1HD   PRO  69          2HD       PRO  69 118.671  -8.141  -7.403
  533   2HD   PRO  69          1HD       PRO  69 117.311  -9.011  -6.658
  534    H    ALA  70           H        ALA  70 121.054  -8.422  -6.576
  535    HA   ALA  70           HA       ALA  70 123.664  -9.596  -6.875
  536   1HB   ALA  70          1HB       ALA  70 123.142  -7.881  -8.371
  537   2HB   ALA  70          2HB       ALA  70 124.159  -7.021  -7.215
  538   3HB   ALA  70          3HB       ALA  70 122.403  -6.881  -7.120
  539    H    THR  71           H        THR  71 122.129  -7.931  -4.215
  540    HA   THR  71           HA       THR  71 124.540  -8.329  -2.563
  541    HB   THR  71           HB       THR  71 124.997  -6.215  -3.698
  542    HG1  THR  71           HG1      THR  71 125.466  -5.150  -1.905
  543   1HG2  THR  71          1HG2      THR  71 122.214  -5.909  -3.617
  544   2HG2  THR  71          2HG2      THR  71 123.382  -4.739  -4.228
  545   3HG2  THR  71          3HG2      THR  71 122.835  -4.647  -2.555
  546    H    LEU  72           H        LEU  72 121.491  -8.951  -2.686
  547    HA   LEU  72           HA       LEU  72 119.653  -9.021  -1.178
  548   1HB   LEU  72          2HB       LEU  72 121.807  -8.954   0.932
  549   2HB   LEU  72          1HB       LEU  72 120.344  -9.929   0.894
  550    HG   LEU  72           HG       LEU  72 122.787 -10.266  -0.869
  551   1HD1  LEU  72          1HD1      LEU  72 122.359 -12.653   0.328
  552   2HD1  LEU  72          2HD1      LEU  72 121.727 -11.580   1.577
  553   3HD1  LEU  72          3HD1      LEU  72 123.392 -11.406   1.025
  554   1HD2  LEU  72          1HD2      LEU  72 121.152 -10.960  -2.334
  555   2HD2  LEU  72          2HD2      LEU  72 119.994 -11.291  -1.047
  556   3HD2  LEU  72          3HD2      LEU  72 121.291 -12.438  -1.382
  557    H    THR  73           H        THR  73 119.520  -6.517  -1.869
  558    HA   THR  73           HA       THR  73 119.791  -4.884   0.632
  559    HB   THR  73           HB       THR  73 119.647  -3.127  -1.498
  560    HG1  THR  73           HG1      THR  73 120.837  -3.973  -3.122
  561   1HG2  THR  73          1HG2      THR  73 122.125  -4.428  -0.335
  562   2HG2  THR  73          2HG2      THR  73 121.243  -3.088   0.396
  563   3HG2  THR  73          3HG2      THR  73 122.064  -2.866  -1.149
  564    H    ARG  74           H        ARG  74 117.723  -4.972   1.495
  565    HA   ARG  74           HA       ARG  74 115.305  -4.878  -0.129
  566   1HB   ARG  74          2HB       ARG  74 116.096  -5.479   2.517
  567   2HB   ARG  74          1HB       ARG  74 114.981  -4.122   2.653
  568   1HG   ARG  74          2HG       ARG  74 113.228  -5.471   2.236
  569   2HG   ARG  74          1HG       ARG  74 113.957  -6.005   0.724
  570   1HD   ARG  74          2HD       ARG  74 114.743  -7.142   3.428
  571   2HD   ARG  74          1HD       ARG  74 113.525  -7.879   2.369
  572    HE   ARG  74           HE       ARG  74 116.137  -7.254   1.132
  573   1HH1  ARG  74          2HH1      ARG  74 114.126  -9.618   2.696
  574   2HH1  ARG  74          1HH1      ARG  74 114.888 -10.955   1.905
  575   1HH2  ARG  74          1HH2      ARG  74 117.063  -9.002   0.058
  576   2HH2  ARG  74          2HH2      ARG  74 116.537 -10.611   0.421
  577    HA   PRO  75           HA       PRO  75 114.813  -0.509  -0.359
  578   1HB   PRO  75          2HB       PRO  75 112.163  -0.105   0.175
  579   2HB   PRO  75          1HB       PRO  75 112.748  -0.833  -1.333
  580   1HG   PRO  75          2HG       PRO  75 111.556  -2.131   1.054
  581   2HG   PRO  75          1HG       PRO  75 111.395  -2.546  -0.659
  582   1HD   PRO  75          2HD       PRO  75 113.023  -3.867   1.117
  583   2HD   PRO  75          1HD       PRO  75 113.258  -3.853  -0.642
  584    H    VAL  76           H        VAL  76 114.466  -2.067   2.624
  585    HA   VAL  76           HA       VAL  76 113.591   0.142   4.286
  586    HB   VAL  76           HB       VAL  76 115.217  -2.356   4.874
  587   1HG1  VAL  76          1HG1      VAL  76 113.604  -0.557   6.713
  588   2HG1  VAL  76          2HG1      VAL  76 115.363  -0.673   6.677
  589   3HG1  VAL  76          3HG1      VAL  76 114.399  -2.059   7.186
  590   1HG2  VAL  76          1HG2      VAL  76 112.340  -1.808   4.404
  591   2HG2  VAL  76          2HG2      VAL  76 112.703  -2.833   5.793
  592   3HG2  VAL  76          3HG2      VAL  76 113.253  -3.300   4.183
  593    H    HIS  77           H        HIS  77 116.750  -1.041   3.180
  594    HA   HIS  77           HA       HIS  77 118.416   0.537   4.882
  595   1HB   HIS  77          2HB       HIS  77 118.671  -0.672   2.125
  596   2HB   HIS  77          1HB       HIS  77 120.009   0.208   2.865
  597    HD1  HIS  77           HD1      HIS  77 117.998  -2.939   3.177
  598    HD2  HIS  77           HD2      HIS  77 121.182  -1.082   5.122
  599    HE1  HIS  77           HE1      HIS  77 118.986  -4.667   4.743
  600    H    ASP  78           H        ASP  78 117.039   1.219   1.659
  601    HA   ASP  78           HA       ASP  78 118.280   3.707   1.144
  602   1HB   ASP  78          2HB       ASP  78 115.487   2.706   0.499
  603   2HB   ASP  78          1HB       ASP  78 116.285   4.054  -0.313
  604    H    ALA  79           H        ALA  79 115.007   3.216   2.542
  605    HA   ALA  79           HA       ALA  79 114.543   5.931   3.251
  606   1HB   ALA  79          1HB       ALA  79 113.602   3.345   4.540
  607   2HB   ALA  79          2HB       ALA  79 112.840   4.141   3.164
  608   3HB   ALA  79          3HB       ALA  79 112.830   4.916   4.747
  609    H    ALA  80           H        ALA  80 116.393   3.403   4.845
  610    HA   ALA  80           HA       ALA  80 116.641   4.820   7.396
  611   1HB   ALA  80          1HB       ALA  80 118.278   2.544   6.240
  612   2HB   ALA  80          2HB       ALA  80 116.700   2.320   6.995
  613   3HB   ALA  80          3HB       ALA  80 118.053   2.933   7.946
  614    H    ARG  81           H        ARG  81 118.421   4.627   4.374
  615    HA   ARG  81           HA       ARG  81 120.909   5.750   5.344
  616   1HB   ARG  81          2HB       ARG  81 120.077   4.462   3.118
  617   2HB   ARG  81          1HB       ARG  81 120.036   6.123   2.525
  618   1HG   ARG  81          2HG       ARG  81 122.371   6.447   3.248
  619   2HG   ARG  81          1HG       ARG  81 122.415   4.790   3.850
  620   1HD   ARG  81          2HD       ARG  81 121.788   5.476   0.961
  621   2HD   ARG  81          1HD       ARG  81 123.414   5.063   1.537
  622    HE   ARG  81           HE       ARG  81 121.394   3.147   2.404
  623   1HH1  ARG  81          2HH1      ARG  81 122.154   3.990  -0.700
  624   2HH1  ARG  81          1HH1      ARG  81 122.877   2.481  -1.145
  625   1HH2  ARG  81          1HH2      ARG  81 122.924   1.240   2.088
  626   2HH2  ARG  81          2HH2      ARG  81 123.313   0.927   0.430
  627    H    GLU  82           H        GLU  82 117.838   7.109   4.361
  628    HA   GLU  82           HA       GLU  82 118.984   9.843   4.121
  629   1HB   GLU  82          2HB       GLU  82 117.320   8.806   2.501
  630   2HB   GLU  82          1HB       GLU  82 116.130   8.872   3.801
  631   1HG   GLU  82          2HG       GLU  82 115.681  10.930   2.917
  632   2HG   GLU  82          1HG       GLU  82 117.066  11.415   3.895
  633    H    GLY  83           H        GLY  83 116.535   8.055   6.030
  634   1HA   GLY  83          2HA       GLY  83 116.468   8.480   8.484
  635   2HA   GLY  83          1HA       GLY  83 116.800  10.175   8.126
  636    H    PHE  84           H        PHE  84 114.568   8.274   6.199
  637    HA   PHE  84           HA       PHE  84 112.387  10.142   6.947
  638   1HB   PHE  84          2HB       PHE  84 113.222   9.251   4.576
  639   2HB   PHE  84          1HB       PHE  84 112.143   7.912   4.956
  640    HD1  PHE  84           HD1      PHE  84 110.865   9.631   2.684
  641    HD2  PHE  84           HD2      PHE  84 111.795  12.035   4.588
  642    HE1  PHE  84           HE1      PHE  84 111.749  12.063   4.525
  643    HE2  PHE  84           HE2      PHE  84 108.910  10.716   4.165
  644    HZ   PHE  84           HZ       PHE  84 110.477  10.079   6.157
  645    H    LEU  85           H        LEU  85 111.813   9.307   9.054
  646    HA   LEU  85           HA       LEU  85 111.344   6.551   9.659
  647   1HB   LEU  85          2HB       LEU  85 111.028   9.167  10.842
  648   2HB   LEU  85          1HB       LEU  85 109.590   8.202  11.169
  649    HG   LEU  85           HG       LEU  85 112.447   7.340  11.713
  650   1HD1  LEU  85          1HD1      LEU  85 110.231   8.452  13.425
  651   2HD1  LEU  85          2HD1      LEU  85 111.931   8.916  13.380
  652   3HD1  LEU  85          3HD1      LEU  85 111.453   7.390  14.122
  653   1HD2  LEU  85          1HD2      LEU  85 111.421   5.301  11.458
  654   2HD2  LEU  85          2HD2      LEU  85 109.810   5.959  11.741
  655   3HD2  LEU  85          3HD2      LEU  85 110.881   5.630  13.103
  656    H    ASP  86           H        ASP  86 109.385   8.980   8.051
  657    HA   ASP  86           HA       ASP  86 106.802   7.825   8.299
  658   1HB   ASP  86          2HB       ASP  86 107.865  10.035   7.186
  659   2HB   ASP  86          1HB       ASP  86 107.642   9.073   5.724
  660    H    THR  87           H        THR  87 109.151   7.427   5.608
  661    HA   THR  87           HA       THR  87 107.674   5.429   4.204
  662    HB   THR  87           HB       THR  87 110.629   6.090   4.387
  663    HG1  THR  87           HG1      THR  87 109.091   7.650   3.553
  664   1HG2  THR  87          1HG2      THR  87 110.588   4.941   2.053
  665   2HG2  THR  87          2HG2      THR  87 109.130   4.147   2.648
  666   3HG2  THR  87          3HG2      THR  87 110.663   3.923   3.490
  667    H    LEU  88           H        LEU  88 110.025   5.186   6.866
  668    HA   LEU  88           HA       LEU  88 110.457   2.369   6.815
  669   1HB   LEU  88          2HB       LEU  88 111.378   4.451   8.254
  670   2HB   LEU  88          1HB       LEU  88 110.224   3.804   9.422
  671    HG   LEU  88           HG       LEU  88 111.282   1.523   9.016
  672   1HD1  LEU  88          1HD1      LEU  88 113.158   1.293   7.717
  673   2HD1  LEU  88          2HD1      LEU  88 113.738   2.917   8.082
  674   3HD1  LEU  88          3HD1      LEU  88 112.462   2.684   6.887
  675   1HD2  LEU  88          1HD2      LEU  88 112.586   1.891  10.844
  676   2HD2  LEU  88          2HD2      LEU  88 111.921   3.523  10.784
  677   3HD2  LEU  88          3HD2      LEU  88 113.491   3.182  10.055
  678    H    VAL  89           H        VAL  89 108.069   4.258   8.721
  679    HA   VAL  89           HA       VAL  89 106.699   2.033   9.871
  680    HB   VAL  89           HB       VAL  89 105.751   4.806   9.056
  681   1HG1  VAL  89          1HG1      VAL  89 104.481   3.599  11.389
  682   2HG1  VAL  89          2HG1      VAL  89 104.205   2.645   9.932
  683   3HG1  VAL  89          3HG1      VAL  89 103.739   4.346   9.974
  684   1HG2  VAL  89          1HG2      VAL  89 106.091   5.048  11.654
  685   2HG2  VAL  89          2HG2      VAL  89 107.486   5.164  10.580
  686   3HG2  VAL  89          3HG2      VAL  89 107.164   3.664  11.450
  687    H    VAL  90           H        VAL  90 106.098   3.859   6.870
  688    HA   VAL  90           HA       VAL  90 103.769   2.647   5.935
  689    HB   VAL  90           HB       VAL  90 106.279   3.530   4.478
  690   1HG1  VAL  90          1HG1      VAL  90 104.964   2.230   2.936
  691   2HG1  VAL  90          2HG1      VAL  90 104.666   3.928   2.571
  692   3HG1  VAL  90          3HG1      VAL  90 103.471   2.998   3.473
  693   1HG2  VAL  90          1HG2      VAL  90 104.704   5.034   6.078
  694   2HG2  VAL  90          2HG2      VAL  90 103.792   5.162   4.574
  695   3HG2  VAL  90          3HG2      VAL  90 105.479   5.676   4.630
  696    H    LEU  91           H        LEU  91 107.132   1.515   5.467
  697    HA   LEU  91           HA       LEU  91 106.480  -0.833   3.948
  698   1HB   LEU  91          2HB       LEU  91 108.772   0.285   5.492
  699   2HB   LEU  91          1HB       LEU  91 108.824  -1.443   5.138
  700    HG   LEU  91           HG       LEU  91 108.085  -0.542   2.714
  701   1HD1  LEU  91          1HD1      LEU  91 109.514   1.522   2.288
  702   2HD1  LEU  91          2HD1      LEU  91 109.616   1.710   4.038
  703   3HD1  LEU  91          3HD1      LEU  91 108.050   1.800   3.232
  704   1HD2  LEU  91          1HD2      LEU  91 110.448  -0.720   2.077
  705   2HD2  LEU  91          2HD2      LEU  91 110.059  -1.953   3.276
  706   3HD2  LEU  91          3HD2      LEU  91 110.936  -0.501   3.757
  707    H    HIS  92           H        HIS  92 107.421  -0.551   7.402
  708    HA   HIS  92           HA       HIS  92 106.779  -3.255   8.098
  709   1HB   HIS  92          2HB       HIS  92 108.143  -1.346   9.275
  710   2HB   HIS  92          1HB       HIS  92 106.589  -0.922   9.993
  711    HD1  HIS  92           HD1      HIS  92 107.270  -1.729  12.363
  712    HD2  HIS  92           HD2      HIS  92 107.497  -4.707   9.457
  713    HE1  HIS  92           HE1      HIS  92 107.552  -3.918  13.603
  714    H    ARG  93           H        ARG  93 104.761  -0.503   7.521
  715    HA   ARG  93           HA       ARG  93 102.500  -1.496   9.134
  716   1HB   ARG  93          2HB       ARG  93 103.062   0.906   8.876
  717   2HB   ARG  93          1HB       ARG  93 102.783   0.776   7.138
  718   1HG   ARG  93          2HG       ARG  93 100.440   0.083   7.589
  719   2HG   ARG  93          1HG       ARG  93 100.729   0.298   9.317
  720   1HD   ARG  93          2HD       ARG  93 100.060   2.452   9.005
  721   2HD   ARG  93          1HD       ARG  93 101.618   2.700   8.190
  722    HE   ARG  93           HE       ARG  93  99.616   1.479   6.453
  723   1HH1  ARG  93          1HH2      ARG  93  99.444   4.393   8.018
  724   2HH1  ARG  93          2HH2      ARG  93  99.530   5.385   6.601
  725   1HH2  ARG  93          2HH1      ARG  93 100.348   2.758   4.489
  726   2HH2  ARG  93          1HH1      ARG  93 100.043   4.459   4.603
  727    H    ALA  94           H        ALA  94 103.721  -1.984   5.948
  728    HA   ALA  94           HA       ALA  94 101.158  -3.236   5.166
  729   1HB   ALA  94          1HB       ALA  94 101.645  -2.365   2.856
  730   2HB   ALA  94          2HB       ALA  94 103.007  -1.478   3.541
  731   3HB   ALA  94          3HB       ALA  94 101.360  -1.092   4.043
  732    H    GLY  95           H        GLY  95 103.161  -4.756   6.310
  733   1HA   GLY  95          2HA       GLY  95 104.401  -6.706   5.907
  734   2HA   GLY  95          1HA       GLY  95 103.713  -6.705   4.283
  735    H    ALA  96           H        ALA  96 106.550  -6.236   6.077
  736    HA   ALA  96           HA       ALA  96 108.119  -5.731   3.674
  737   1HB   ALA  96          1HB       ALA  96 108.850  -3.485   4.282
  738   2HB   ALA  96          2HB       ALA  96 107.915  -3.551   5.776
  739   3HB   ALA  96          3HB       ALA  96 107.088  -3.506   4.220
  740    H    ARG  97           H        ARG  97 109.581  -7.339   4.259
  741    HA   ARG  97           HA       ARG  97 110.494  -7.833   6.950
  742   1HB   ARG  97          2HB       ARG  97 110.480  -9.460   5.065
  743   2HB   ARG  97          1HB       ARG  97 111.730  -8.510   4.260
  744   1HG   ARG  97          2HG       ARG  97 112.836  -8.852   6.742
  745   2HG   ARG  97          1HG       ARG  97 111.961 -10.371   6.542
  746   1HD   ARG  97          2HD       ARG  97 113.065 -10.681   4.321
  747   2HD   ARG  97          1HD       ARG  97 114.008  -9.208   4.619
  748    HE   ARG  97           HE       ARG  97 114.279 -10.867   6.907
  749   1HH1  ARG  97          1HH2      ARG  97 115.887  -9.883   4.166
  750   2HH1  ARG  97          2HH2      ARG  97 116.951 -11.247   4.068
  751   1HH2  ARG  97          2HH1      ARG  97 115.302 -13.047   6.530
  752   2HH2  ARG  97          1HH1      ARG  97 116.619 -13.039   5.406
  753    H    LEU  98           H        LEU  98 111.604  -6.215   8.021
  754    HA   LEU  98           HA       LEU  98 113.519  -4.499   6.543
  755   1HB   LEU  98          2HB       LEU  98 112.577  -4.538   9.429
  756   2HB   LEU  98          1HB       LEU  98 113.524  -3.254   8.679
  757    HG   LEU  98           HG       LEU  98 111.310  -3.669   6.972
  758   1HD1  LEU  98          1HD1      LEU  98 110.176  -3.090   9.671
  759   2HD1  LEU  98          2HD1      LEU  98 110.516  -4.777   9.285
  760   3HD1  LEU  98          3HD1      LEU  98 109.415  -3.845   8.271
  761   1HD2  LEU  98          1HD2      LEU  98 112.418  -1.577   8.746
  762   2HD2  LEU  98          2HD2      LEU  98 110.699  -1.405   8.392
  763   3HD2  LEU  98          3HD2      LEU  98 111.871  -1.460   7.075
  764    H    ASP  99           H        ASP  99 113.507  -7.248   8.691
  765    HA   ASP  99           HA       ASP  99 116.175  -6.944   9.759
  766   1HB   ASP  99          2HB       ASP  99 115.825  -9.343  10.358
  767   2HB   ASP  99          1HB       ASP  99 114.442  -8.340  10.789
  768    H    VAL 100           H        VAL 100 117.098  -6.318   7.527
  769    HA   VAL 100           HA       VAL 100 118.215  -8.774   6.258
  770    HB   VAL 100           HB       VAL 100 116.241  -8.061   4.962
  771   1HG1  VAL 100          1HG1      VAL 100 115.731  -5.889   4.620
  772   2HG1  VAL 100          2HG1      VAL 100 117.347  -5.538   4.006
  773   3HG1  VAL 100          3HG1      VAL 100 117.034  -5.498   5.740
  774   1HG2  VAL 100          1HG2      VAL 100 118.606  -8.715   3.935
  775   2HG2  VAL 100          2HG2      VAL 100 118.544  -7.059   3.334
  776   3HG2  VAL 100          3HG2      VAL 100 117.280  -8.205   2.895
  777    H    CYS 101           H        CYS 101 120.180  -8.276   4.994
  778    HA   CYS 101           HA       CYS 101 121.470  -5.673   5.741
  779   1HB   CYS 101          2HB       CYS 101 123.577  -7.054   5.956
  780   2HB   CYS 101          1HB       CYS 101 122.346  -7.442   7.155
  781    HG   CYS 101           HG       CYS 101 123.378  -9.340   5.012
  782    H    ASP 102           H        ASP 102 122.822  -4.793   4.085
  783    HA   ASP 102           HA       ASP 102 122.172  -5.530   1.366
  784   1HB   ASP 102          2HB       ASP 102 123.868  -3.766   0.857
  785   2HB   ASP 102          1HB       ASP 102 122.701  -3.245   2.072
  786    H    ALA 103           H        ALA 103 122.922  -7.898   1.969
  787    HA   ALA 103           HA       ALA 103 124.398  -9.663   1.510
  788   1HB   ALA 103          1HB       ALA 103 124.551  -9.075  -0.704
  789   2HB   ALA 103          2HB       ALA 103 126.224  -8.751  -0.249
  790   3HB   ALA 103          3HB       ALA 103 125.063  -7.428  -0.337
  791    H    TRP 104           H        TRP 104 126.841  -7.106   1.139
  792    HA   TRP 104           HA       TRP 104 128.507  -8.433   3.198
  793   1HB   TRP 104          2HB       TRP 104 129.033  -6.074   1.358
  794   2HB   TRP 104          1HB       TRP 104 130.248  -6.977   2.263
  795    HD1  TRP 104           HD1      TRP 104 130.428  -9.670   1.610
  796    HE1  TRP 104           HE1      TRP 104 130.214 -10.780  -0.707
  797    HE3  TRP 104           HE3      TRP 104 127.997  -5.961  -0.924
  798    HZ2  TRP 104           HZ2      TRP 104 129.152 -10.175  -3.294
  799    HZ3  TRP 104           HZ3      TRP 104 127.398  -6.253  -3.310
  800    HH2  TRP 104           HH2      TRP 104 127.971  -8.353  -4.498
  801    H    GLY 105           H        GLY 105 126.219  -7.150   4.297
  802   1HA   GLY 105          2HA       GLY 105 127.536  -4.941   5.812
  803   2HA   GLY 105          1HA       GLY 105 125.886  -4.746   5.217
  804    H    ARG 106           H        ARG 106 125.374  -4.481   7.569
  805    HA   ARG 106           HA       ARG 106 125.147  -7.144   8.940
  806   1HB   ARG 106          2HB       ARG 106 125.541  -4.327   9.999
  807   2HB   ARG 106          1HB       ARG 106 125.219  -5.722  11.030
  808   1HG   ARG 106          2HG       ARG 106 127.237  -6.834   9.922
  809   2HG   ARG 106          1HG       ARG 106 127.619  -5.246   9.253
  810   1HD   ARG 106          2HD       ARG 106 127.036  -5.267  12.163
  811   2HD   ARG 106          1HD       ARG 106 128.534  -6.086  11.676
  812    HE   ARG 106           HE       ARG 106 127.884  -3.292  10.807
  813   1HH1  ARG 106          2HH1      ARG 106 130.207  -5.424  10.095
  814   2HH1  ARG 106          1HH1      ARG 106 131.534  -4.582  10.824
  815   1HH2  ARG 106          1HH2      ARG 106 129.516  -2.334  12.527
  816   2HH2  ARG 106          2HH2      ARG 106 131.142  -2.833  12.201
  817    H    LEU 107           H        LEU 107 123.651  -3.904   8.772
  818    HA   LEU 107           HA       LEU 107 120.967  -4.893   8.320
  819   1HB   LEU 107          2HB       LEU 107 121.969  -5.106  10.940
  820   2HB   LEU 107          1HB       LEU 107 120.975  -3.653  10.974
  821    HG   LEU 107           HG       LEU 107 119.090  -4.960   9.991
  822   1HD1  LEU 107          1HD1      LEU 107 119.241  -7.403   9.907
  823   2HD1  LEU 107          2HD1      LEU 107 120.924  -7.330  10.426
  824   3HD1  LEU 107          3HD1      LEU 107 120.456  -6.685   8.852
  825   1HD2  LEU 107          1HD2      LEU 107 119.055  -4.742  12.361
  826   2HD2  LEU 107          2HD2      LEU 107 120.363  -5.909  12.557
  827   3HD2  LEU 107          3HD2      LEU 107 118.766  -6.452  12.044
  828    HA   PRO 108           HA       PRO 108 120.639  -0.620   7.266
  829   1HB   PRO 108          2HB       PRO 108 118.017  -0.017   7.786
  830   2HB   PRO 108          1HB       PRO 108 118.532  -1.002   6.400
  831   1HG   PRO 108          2HG       PRO 108 117.405  -1.859   9.017
  832   2HG   PRO 108          1HG       PRO 108 117.114  -2.505   7.394
  833   1HD   PRO 108          2HD       PRO 108 118.760  -3.687   9.205
  834   2HD   PRO 108          1HD       PRO 108 118.974  -3.840   7.450
  835    H    VAL 109           H        VAL 109 119.401  -1.542  10.450
  836    HA   VAL 109           HA       VAL 109 119.256   1.064  11.624
  837    HB   VAL 109           HB       VAL 109 118.283  -0.964  12.603
  838   1HG1  VAL 109          1HG1      VAL 109 119.687  -2.746  12.099
  839   2HG1  VAL 109          2HG1      VAL 109 120.076  -2.486  13.799
  840   3HG1  VAL 109          3HG1      VAL 109 121.146  -1.860  12.544
  841   1HG2  VAL 109          1HG2      VAL 109 120.511   0.107  14.363
  842   2HG2  VAL 109          2HG2      VAL 109 119.021  -0.660  14.914
  843   3HG2  VAL 109          3HG2      VAL 109 118.961   0.908  14.110
  844    H    ASP 110           H        ASP 110 121.956  -0.945  10.742
  845    HA   ASP 110           HA       ASP 110 123.906   0.291  12.533
  846   1HB   ASP 110          2HB       ASP 110 123.873  -2.031  11.345
  847   2HB   ASP 110          1HB       ASP 110 124.473  -1.150   9.941
  848    H    LEU 111           H        LEU 111 123.078   0.584   9.064
  849    HA   LEU 111           HA       LEU 111 125.015   2.522   8.319
  850   1HB   LEU 111          2HB       LEU 111 122.372   1.528   7.400
  851   2HB   LEU 111          1HB       LEU 111 122.837   3.115   6.784
  852    HG   LEU 111           HG       LEU 111 124.782   0.816   6.714
  853   1HD1  LEU 111          1HD1      LEU 111 122.372   0.520   5.536
  854   2HD1  LEU 111          2HD1      LEU 111 123.861  -0.095   4.818
  855   3HD1  LEU 111          3HD1      LEU 111 123.192   1.444   4.278
  856   1HD2  LEU 111          1HD2      LEU 111 125.354   3.302   6.275
  857   2HD2  LEU 111          2HD2      LEU 111 124.438   3.111   4.780
  858   3HD2  LEU 111          3HD2      LEU 111 125.874   2.127   5.066
  859    H    ALA 112           H        ALA 112 122.027   2.827  10.128
  860    HA   ALA 112           HA       ALA 112 121.812   5.730   9.886
  861   1HB   ALA 112          1HB       ALA 112 119.786   5.270  10.808
  862   2HB   ALA 112          2HB       ALA 112 120.523   4.444  12.180
  863   3HB   ALA 112          3HB       ALA 112 120.231   3.570  10.677
  864    H    GLU 113           H        GLU 113 122.765   3.498  12.522
  865    HA   GLU 113           HA       GLU 113 123.438   5.350  14.502
  866   1HB   GLU 113          2HB       GLU 113 124.546   2.661  13.689
  867   2HB   GLU 113          1HB       GLU 113 125.093   3.483  15.151
  868   1HG   GLU 113          2HG       GLU 113 122.648   3.665  15.826
  869   2HG   GLU 113          1HG       GLU 113 122.284   2.572  14.490
  870    H    GLU 114           H        GLU 114 125.143   4.626  11.533
  871    HA   GLU 114           HA       GLU 114 127.613   5.985  12.457
  872   1HB   GLU 114          2HB       GLU 114 126.762   4.089  10.388
  873   2HB   GLU 114          1HB       GLU 114 127.861   5.322   9.770
  874   1HG   GLU 114          2HG       GLU 114 129.411   3.801  10.551
  875   2HG   GLU 114          1HG       GLU 114 129.179   4.752  12.018
  876    H    GLN 115           H        GLN 115 125.329   6.293   9.697
  877    HA   GLN 115           HA       GLN 115 126.329   8.769   8.721
  878   1HB   GLN 115          2HB       GLN 115 123.579   7.488   8.649
  879   2HB   GLN 115          1HB       GLN 115 124.044   8.868   7.654
  880   1HG   GLN 115          2HG       GLN 115 125.435   6.173   7.656
  881   2HG   GLN 115          1HG       GLN 115 124.300   6.729   6.426
  882   1HE2  GLN 115          1HE2      GLN 115 125.124   9.404   6.079
  883   2HE2  GLN 115          2HE2      GLN 115 126.714   9.431   5.487
  884    H    GLY 116           H        GLY 116 122.995   8.991   9.754
  885   1HA   GLY 116          2HA       GLY 116 123.456  10.494  12.174
  886   2HA   GLY 116          1HA       GLY 116 123.179  11.575  10.807
  887    H    HIS 117           H        HIS 117 121.694   8.397  11.080
  888    HA   HIS 117           HA       HIS 117 119.031   9.749  11.407
  889   1HB   HIS 117          2HB       HIS 117 119.426   7.036  10.168
  890   2HB   HIS 117          1HB       HIS 117 118.172   8.226   9.845
  891    HD1  HIS 117           HD1      HIS 117 119.294  10.602   8.786
  892    HD2  HIS 117           HD2      HIS 117 121.318   7.009   8.170
  893    HE1  HIS 117           HE1      HIS 117 120.863  10.988   6.834
  894    H    ARG 118           H        ARG 118 119.450   9.501  13.794
  895    HA   ARG 118           HA       ARG 118 119.622   6.796  14.909
  896   1HB   ARG 118          2HB       ARG 118 119.080   9.519  16.140
  897   2HB   ARG 118          1HB       ARG 118 119.484   8.058  17.041
  898   1HG   ARG 118          2HG       ARG 118 121.257   9.278  14.907
  899   2HG   ARG 118          1HG       ARG 118 121.458   9.554  16.637
  900   1HD   ARG 118          2HD       ARG 118 121.849   7.176  17.025
  901   2HD   ARG 118          1HD       ARG 118 121.510   6.813  15.322
  902    HE   ARG 118           HE       ARG 118 123.614   7.759  14.733
  903   1HH1  ARG 118          2HH1      ARG 118 123.599   7.078  17.958
  904   2HH1  ARG 118          1HH1      ARG 118 124.775   8.260  18.424
  905   1HH2  ARG 118          1HH2      ARG 118 124.782   9.854  15.345
  906   2HH2  ARG 118          2HH2      ARG 118 125.446   9.831  16.944
  907    H    ASP 119           H        ASP 119 117.105   9.305  14.573
  908    HA   ASP 119           HA       ASP 119 115.025   8.092  16.061
  909   1HB   ASP 119          2HB       ASP 119 115.385  10.096  13.951
  910   2HB   ASP 119          1HB       ASP 119 113.826   9.277  13.838
  911    H    ILE 120           H        ILE 120 115.648   7.806  12.543
  912    HA   ILE 120           HA       ILE 120 113.694   5.799  12.008
  913    HB   ILE 120           HB       ILE 120 115.054   7.297  10.439
  914   1HG1  ILE 120          2HG1      ILE 120 115.241   4.439   9.538
  915   2HG1  ILE 120          1HG1      ILE 120 113.657   5.134   9.885
  916   1HG2  ILE 120          1HG2      ILE 120 117.087   5.075  10.787
  917   2HG2  ILE 120          2HG2      ILE 120 117.269   6.719  11.399
  918   3HG2  ILE 120          3HG2      ILE 120 117.204   6.428   9.661
  919   1HD1  ILE 120          1HD1      ILE 120 113.938   6.846   8.246
  920   2HD1  ILE 120          2HD1      ILE 120 114.455   5.349   7.470
  921   3HD1  ILE 120          3HD1      ILE 120 115.657   6.491   8.070
  922    H    ALA 121           H        ALA 121 117.030   5.619  13.149
  923    HA   ALA 121           HA       ALA 121 117.459   2.807  12.875
  924   1HB   ALA 121          1HB       ALA 121 119.035   4.792  13.472
  925   2HB   ALA 121          2HB       ALA 121 119.342   3.236  14.241
  926   3HB   ALA 121          3HB       ALA 121 118.513   4.511  15.133
  927    H    ARG 122           H        ARG 122 115.998   4.740  15.492
  928    HA   ARG 122           HA       ARG 122 115.705   2.721  17.459
  929   1HB   ARG 122          2HB       ARG 122 114.089   5.149  16.655
  930   2HB   ARG 122          1HB       ARG 122 113.662   4.181  18.066
  931   1HG   ARG 122          2HG       ARG 122 115.870   4.565  19.042
  932   2HG   ARG 122          1HG       ARG 122 116.375   5.455  17.604
  933   1HD   ARG 122          2HD       ARG 122 114.680   7.176  18.030
  934   2HD   ARG 122          1HD       ARG 122 114.087   6.268  19.435
  935    HE   ARG 122           HE       ARG 122 115.977   7.016  20.642
  936   1HH1  ARG 122          2HH1      ARG 122 115.958   8.693  17.803
  937   2HH1  ARG 122          1HH1      ARG 122 117.671   8.923  17.689
  938   1HH2  ARG 122          1HH2      ARG 122 118.406   6.723  20.267
  939   2HH2  ARG 122          2HH2      ARG 122 119.057   7.807  19.084
  940    H    TYR 123           H        TYR 123 113.346   3.725  14.944
  941    HA   TYR 123           HA       TYR 123 111.407   1.693  15.440
  942   1HB   TYR 123          2HB       TYR 123 111.593   3.847  13.840
  943   2HB   TYR 123          1HB       TYR 123 111.984   2.607  12.652
  944    HD1  TYR 123           HD1      TYR 123 108.126   2.055  14.592
  945    HD2  TYR 123           HD2      TYR 123 110.223   0.207  13.955
  946    HE1  TYR 123           HE1      TYR 123 108.755   0.171  12.532
  947    HE2  TYR 123           HE2      TYR 123 108.105   2.031  14.548
  948    HH   TYR 123           HH       TYR 123 108.376   2.189  10.972
  949    H    LEU 124           H        LEU 124 114.199   1.750  13.211
  950    HA   LEU 124           HA       LEU 124 113.872  -0.786  11.998
  951   1HB   LEU 124          2HB       LEU 124 116.283   0.876  12.778
  952   2HB   LEU 124          1HB       LEU 124 116.424  -0.590  11.807
  953    HG   LEU 124           HG       LEU 124 114.643   1.754  11.084
  954   1HD1  LEU 124          1HD1      LEU 124 116.378   2.210   9.343
  955   2HD1  LEU 124          2HD1      LEU 124 117.407   0.989  10.093
  956   3HD1  LEU 124          3HD1      LEU 124 116.981   2.450  10.982
  957   1HD2  LEU 124          1HD2      LEU 124 115.398  -0.859   9.784
  958   2HD2  LEU 124          2HD2      LEU 124 114.900   0.518   8.800
  959   3HD2  LEU 124          3HD2      LEU 124 113.795  -0.155   9.998
  960    H    HIS 125           H        HIS 125 115.693   0.061  14.967
  961    HA   HIS 125           HA       HIS 125 116.647  -2.495  15.670
  962   1HB   HIS 125          2HB       HIS 125 117.253  -0.390  16.778
  963   2HB   HIS 125          1HB       HIS 125 115.608  -0.216  17.390
  964    HD1  HIS 125           HD1      HIS 125 118.271  -2.967  17.499
  965    HD2  HIS 125           HD2      HIS 125 115.458  -1.139  19.976
  966    HE1  HIS 125           HE1      HIS 125 118.483  -4.075  19.767
  967    H    ALA 126           H        ALA 126 113.393  -1.180  15.902
  968    HA   ALA 126           HA       ALA 126 112.433  -3.387  17.613
  969   1HB   ALA 126          1HB       ALA 126 111.069  -1.078  16.192
  970   2HB   ALA 126          2HB       ALA 126 111.600  -1.093  17.874
  971   3HB   ALA 126          3HB       ALA 126 110.285  -2.147  17.354
  972    H    ALA 127           H        ALA 127 112.148  -2.327  14.220
  973    HA   ALA 127           HA       ALA 127 110.528  -4.741  13.576
  974   1HB   ALA 127          1HB       ALA 127 109.853  -3.512  11.712
  975   2HB   ALA 127          2HB       ALA 127 111.380  -2.635  11.616
  976   3HB   ALA 127          3HB       ALA 127 110.199  -2.215  12.857
  977    H    THR 128           H        THR 128 113.710  -4.306  13.985
  978    HA   THR 128           HA       THR 128 114.422  -6.056  11.660
  979    HB   THR 128           HB       THR 128 116.160  -3.872  12.832
  980    HG1  THR 128           HG1      THR 128 115.442  -2.666  10.994
  981   1HG2  THR 128          1HG2      THR 128 117.005  -5.852  11.350
  982   2HG2  THR 128          2HG2      THR 128 117.530  -4.211  10.973
  983   3HG2  THR 128          3HG2      THR 128 116.239  -4.961  10.035
  984    H    GLY 129           H        GLY 129 115.653  -4.794  14.788
  985   1HA   GLY 129          2HA       GLY 129 116.324  -6.138  16.658
  986   2HA   GLY 129          1HA       GLY 129 116.281  -7.563  15.619
  987    H    ASP 130           HN       ASP 130 118.273  -5.063  16.898
  988    HA   ASP 130           HA       ASP 130 120.431  -4.899  15.137
  989   1HB   ASP 130          2HB       ASP 130 121.729  -4.408  17.200
  990   2HB   ASP 130          1HB       ASP 130 120.157  -3.609  17.211
  Start of MODEL    6
    1   1H    GLY  -5          1H        GLY  -5  93.548 -14.671 -32.481
    2   2H    GLY  -5          2H        GLY  -5  92.102 -13.893 -32.044
    3   3H    GLY  -5          3H        GLY  -5  93.535 -13.577 -31.187
    4   1HA   GLY  -5          2HA       GLY  -5  94.501 -12.702 -33.314
    5   2HA   GLY  -5          1HA       GLY  -5  92.861 -12.782 -33.960
    6    H    SER  -4           H        SER  -4  94.821 -11.339 -31.375
    7    HA   SER  -4           HA       SER  -4  94.513  -9.339 -30.151
    8   1HB   SER  -4          2HB       SER  -4  94.810  -8.327 -32.285
    9   2HB   SER  -4          1HB       SER  -4  93.225  -8.853 -32.843
   10    HG   SER  -4           HG       SER  -4  93.610  -6.558 -32.032
   11    HA   PRO  -3           HA       PRO  -3  90.316 -10.506 -28.728
   12   1HB   PRO  -3          2HB       PRO  -3  90.900 -10.302 -26.061
   13   2HB   PRO  -3          1HB       PRO  -3  91.223 -11.765 -27.011
   14   1HG   PRO  -3          2HG       PRO  -3  93.090  -9.615 -26.153
   15   2HG   PRO  -3          1HG       PRO  -3  93.352 -11.363 -26.259
   16   1HD   PRO  -3          2HD       PRO  -3  94.258  -9.582 -28.121
   17   2HD   PRO  -3          1HD       PRO  -3  93.880 -11.281 -28.483
   18    H    GLY  -2           H        GLY  -2  92.439  -7.815 -27.996
   19   1HA   GLY  -2          2HA       GLY  -2  91.896  -5.524 -27.835
   20   2HA   GLY  -2          1HA       GLY  -2  90.201  -5.949 -28.074
   21    H    ILE  -1           H        ILE  -1  92.789  -5.985 -25.627
   22    HA   ILE  -1           HA       ILE  -1  90.802  -5.224 -23.574
   23    HB   ILE  -1           HB       ILE  -1  90.664  -7.651 -23.576
   24   1HG1  ILE  -1          2HG1      ILE  -1  91.434  -8.154 -21.287
   25   2HG1  ILE  -1          1HG1      ILE  -1  92.458  -6.721 -21.309
   26   1HG2  ILE  -1          1HG2      ILE  -1  93.583  -7.924 -22.949
   27   2HG2  ILE  -1          2HG2      ILE  -1  93.095  -7.741 -24.633
   28   3HG2  ILE  -1          3HG2      ILE  -1  92.483  -9.092 -23.681
   29   1HD1  ILE  -1          1HD1      ILE  -1  89.431  -6.799 -21.454
   30   2HD1  ILE  -1          2HD1      ILE  -1  90.388  -5.337 -21.695
   31   3HD1  ILE  -1          3HD1      ILE  -1  90.414  -6.161 -20.137
   32    H    HIS   0           H        HIS   0  94.202  -6.114 -24.250
   33    HA   HIS   0           HA       HIS   0  95.046  -4.154 -22.147
   34   1HB   HIS   0          2HB       HIS   0  95.670  -6.711 -22.247
   35   2HB   HIS   0          1HB       HIS   0  96.838  -6.182 -23.457
   36    HD1  HIS   0           HD1      HIS   0  95.793  -4.309 -20.318
   37    HD2  HIS   0           HD2      HIS   0  99.175  -6.134 -21.934
   38    HE1  HIS   0           HE1      HIS   0  97.715  -3.755 -18.766
   39    H    MET   1           H        MET   1  97.027  -2.880 -22.699
   40    HA   MET   1           HA       MET   1  97.008  -2.098 -25.587
   41   1HB   MET   1          2HB       MET   1  96.473  -0.578 -23.489
   42   2HB   MET   1          1HB       MET   1  98.231  -0.495 -23.361
   43   1HG   MET   1          2HG       MET   1  97.527   1.364 -24.726
   44   2HG   MET   1          1HG       MET   1  98.285   0.185 -25.797
   45   1HE   MET   1          1HE       MET   1  97.029   0.265 -28.245
   46   2HE   MET   1          2HE       MET   1  95.865  -1.052 -28.120
   47   3HE   MET   1          3HE       MET   1  97.418  -1.176 -27.297
   48    H    LEU   2           H        LEU   2  98.749  -2.794 -26.736
   49    HA   LEU   2           HA       LEU   2 101.301  -3.396 -25.286
   50   1HB   LEU   2          2HB       LEU   2  99.723  -4.592 -27.468
   51   2HB   LEU   2          1HB       LEU   2 101.448  -4.488 -27.820
   52    HG   LEU   2           HG       LEU   2 101.706  -5.449 -25.381
   53   1HD1  LEU   2          1HD1      LEU   2  99.206  -5.261 -24.990
   54   2HD1  LEU   2          2HD1      LEU   2  99.882  -6.860 -24.677
   55   3HD1  LEU   2          3HD1      LEU   2  98.997  -6.553 -26.172
   56   1HD2  LEU   2          1HD2      LEU   2 102.411  -6.593 -27.451
   57   2HD2  LEU   2          2HD2      LEU   2 100.752  -7.127 -27.725
   58   3HD2  LEU   2          3HD2      LEU   2 101.656  -7.735 -26.338
   59    H    GLY   3           H        GLY   3 100.308  -0.714 -26.352
   60   1HA   GLY   3          2HA       GLY   3 102.117  -0.198 -28.622
   61   2HA   GLY   3          1HA       GLY   3 101.009   0.966 -27.896
   62    H    GLY   4           H        GLY   4 101.995   0.315 -25.154
   63   1HA   GLY   4          2HA       GLY   4 104.828   0.949 -25.086
   64   2HA   GLY   4          1HA       GLY   4 103.828   2.361 -24.738
   65    H    SER   5           H        SER   5 104.847  -0.778 -23.573
   66    HA   SER   5           HA       SER   5 103.133  -0.761 -21.204
   67   1HB   SER   5          2HB       SER   5 105.599  -2.326 -22.022
   68   2HB   SER   5          1HB       SER   5 104.615  -2.700 -20.610
   69    HG   SER   5           HG       SER   5 104.143  -3.816 -22.696
   70    H    SER   6           H        SER   6 103.716   1.413 -20.354
   71    HA   SER   6           HA       SER   6 106.420   2.093 -19.624
   72   1HB   SER   6          2HB       SER   6 103.716   3.054 -18.631
   73   2HB   SER   6          1HB       SER   6 105.246   3.864 -18.306
   74    HG   SER   6           HG       SER   6 103.807   3.600 -20.695
   75    H    ASP   7           H        ASP   7 103.889   1.869 -17.135
   76    HA   ASP   7           HA       ASP   7 104.001   0.962 -14.951
   77   1HB   ASP   7          2HB       ASP   7 105.390  -1.160 -16.621
   78   2HB   ASP   7          1HB       ASP   7 104.742  -1.422 -15.001
   79    H    ALA   8           H        ALA   8 106.393   2.586 -16.017
   80    HA   ALA   8           HA       ALA   8 108.330   1.693 -13.916
   81   1HB   ALA   8          1HB       ALA   8 109.908   2.722 -15.916
   82   2HB   ALA   8          2HB       ALA   8 108.619   1.951 -16.841
   83   3HB   ALA   8          3HB       ALA   8 109.572   1.005 -15.697
   84    H    GLY   9           H        GLY   9 106.765   4.303 -15.653
   85   1HA   GLY   9          2HA       GLY   9 108.404   6.497 -14.996
   86   2HA   GLY   9          1HA       GLY   9 106.650   6.597 -15.156
   87    H    LEU  10           H        LEU  10 106.147   4.678 -12.995
   88    HA   LEU  10           HA       LEU  10 105.960   6.457 -10.771
   89   1HB   LEU  10          2HB       LEU  10 105.325   4.376  -9.571
   90   2HB   LEU  10          1HB       LEU  10 104.549   4.467 -11.152
   91    HG   LEU  10           HG       LEU  10 106.796   3.174 -11.870
   92   1HD1  LEU  10          1HD1      LEU  10 107.134   3.260  -9.145
   93   2HD1  LEU  10          2HD1      LEU  10 107.860   2.052 -10.205
   94   3HD1  LEU  10          3HD1      LEU  10 106.354   1.692  -9.359
   95   1HD2  LEU  10          1HD2      LEU  10 104.905   2.035 -12.490
   96   2HD2  LEU  10          2HD2      LEU  10 104.108   2.309 -10.942
   97   3HD2  LEU  10          3HD2      LEU  10 105.319   1.036 -11.097
   98    H    ALA  11           H        ALA  11 108.499   4.260 -11.806
   99    HA   ALA  11           HA       ALA  11 109.949   4.363  -9.252
  100   1HB   ALA  11          1HB       ALA  11 110.064   3.010 -11.865
  101   2HB   ALA  11          2HB       ALA  11 110.508   2.403 -10.269
  102   3HB   ALA  11          3HB       ALA  11 111.651   3.378 -11.191
  103    H    THR  12           H        THR  12 110.531   5.581 -12.574
  104    HA   THR  12           HA       THR  12 112.898   7.068 -11.956
  105    HB   THR  12           HB       THR  12 112.157   8.289 -14.106
  106    HG1  THR  12           HG1      THR  12 110.271   6.251 -14.373
  107   1HG2  THR  12          1HG2      THR  12 113.637   6.253 -13.985
  108   2HG2  THR  12          2HG2      THR  12 112.703   6.375 -15.475
  109   3HG2  THR  12          3HG2      THR  12 112.194   5.262 -14.205
  110    H    ALA  13           H        ALA  13 109.492   8.155 -12.261
  111    HA   ALA  13           HA       ALA  13 109.905  10.884 -11.575
  112   1HB   ALA  13          1HB       ALA  13 107.828  10.092 -12.514
  113   2HB   ALA  13          2HB       ALA  13 107.455  10.688 -10.897
  114   3HB   ALA  13          3HB       ALA  13 107.599   8.954 -11.186
  115    H    ALA  14           H        ALA  14 109.294   8.037  -9.523
  116    HA   ALA  14           HA       ALA  14 109.061   9.376  -7.015
  117   1HB   ALA  14          1HB       ALA  14 108.437   7.062  -7.323
  118   2HB   ALA  14          2HB       ALA  14 109.772   7.087  -6.172
  119   3HB   ALA  14          3HB       ALA  14 110.065   6.640  -7.853
  120    H    ALA  15           H        ALA  15 111.906   8.189  -8.797
  121    HA   ALA  15           HA       ALA  15 113.884   8.623  -6.788
  122   1HB   ALA  15          1HB       ALA  15 114.349   9.090  -9.725
  123   2HB   ALA  15          2HB       ALA  15 113.900   7.482  -9.154
  124   3HB   ALA  15          3HB       ALA  15 115.375   8.248  -8.563
  125    H    ARG  16           H        ARG  16 112.349  10.828  -9.087
  126    HA   ARG  16           HA       ARG  16 114.159  13.050  -8.348
  127   1HB   ARG  16          2HB       ARG  16 111.864  12.627 -10.270
  128   2HB   ARG  16          1HB       ARG  16 112.589  14.216 -10.027
  129   1HG   ARG  16          2HG       ARG  16 114.317  11.826 -10.631
  130   2HG   ARG  16          1HG       ARG  16 113.526  12.712 -11.934
  131   1HD   ARG  16          2HD       ARG  16 115.027  14.408 -11.788
  132   2HD   ARG  16          1HD       ARG  16 114.821  14.516 -10.028
  133    HE   ARG  16           HE       ARG  16 116.591  12.498 -11.361
  134   1HH1  ARG  16          1HH2      ARG  16 117.215  15.199  -9.777
  135   2HH1  ARG  16          2HH2      ARG  16 117.898  14.505  -8.343
  136   1HH2  ARG  16          2HH1      ARG  16 116.802  11.294  -9.059
  137   2HH2  ARG  16          1HH1      ARG  16 117.662  12.294  -7.937
  138    H    GLY  17           H        GLY  17 111.879  11.690  -6.594
  139   1HA   GLY  17          2HA       GLY  17 110.408  12.444  -4.933
  140   2HA   GLY  17          1HA       GLY  17 111.234  13.997  -5.057
  141    H    GLN  18           H        GLN  18 109.151  12.132  -7.301
  142    HA   GLN  18           HA       GLN  18 107.499  14.621  -7.619
  143   1HB   GLN  18          2HB       GLN  18 108.501  12.504  -9.517
  144   2HB   GLN  18          1HB       GLN  18 107.074  13.454  -9.925
  145   1HG   GLN  18          2HG       GLN  18 109.349  15.049  -8.931
  146   2HG   GLN  18          1HG       GLN  18 109.648  14.227 -10.461
  147   1HE2  GLN  18          1HE2      GLN  18 109.608  16.492 -11.414
  148   2HE2  GLN  18          2HE2      GLN  18 108.105  17.193 -11.776
  149    H    VAL  19           H        VAL  19 106.310  13.508  -5.673
  150    HA   VAL  19           HA       VAL  19 104.903  11.053  -5.922
  151    HB   VAL  19           HB       VAL  19 104.077  13.648  -4.569
  152   1HG1  VAL  19          1HG1      VAL  19 102.274  12.528  -3.813
  153   2HG1  VAL  19          2HG1      VAL  19 103.307  11.249  -3.176
  154   3HG1  VAL  19          3HG1      VAL  19 102.719  11.161  -4.834
  155   1HG2  VAL  19          1HG2      VAL  19 106.369  12.187  -4.132
  156   2HG2  VAL  19          2HG2      VAL  19 105.250  11.464  -2.978
  157   3HG2  VAL  19          3HG2      VAL  19 105.576  13.196  -2.922
  158    H    GLU  20           H        GLU  20 104.133  14.307  -7.093
  159    HA   GLU  20           HA       GLU  20 101.438  13.899  -7.910
  160   1HB   GLU  20          2HB       GLU  20 102.445  16.091  -7.805
  161   2HB   GLU  20          1HB       GLU  20 103.711  15.624  -8.941
  162   1HG   GLU  20          2HG       GLU  20 102.045  15.365 -10.726
  163   2HG   GLU  20          1HG       GLU  20 100.752  15.772  -9.597
  164    H    THR  21           H        THR  21 104.421  13.685  -9.894
  165    HA   THR  21           HA       THR  21 103.234  12.718 -12.277
  166    HB   THR  21           HB       THR  21 105.949  12.097 -11.062
  167    HG1  THR  21           HG1      THR  21 104.977  14.257 -12.614
  168   1HG2  THR  21          1HG2      THR  21 105.042  12.190 -13.953
  169   2HG2  THR  21          2HG2      THR  21 105.368  10.717 -13.038
  170   3HG2  THR  21          3HG2      THR  21 106.677  11.846 -13.389
  171    H    VAL  22           H        VAL  22 104.374  10.960  -9.403
  172    HA   VAL  22           HA       VAL  22 103.831   8.323 -10.550
  173    HB   VAL  22           HB       VAL  22 104.371   9.260  -7.712
  174   1HG1  VAL  22          1HG1      VAL  22 105.386   6.675  -8.138
  175   2HG1  VAL  22          2HG1      VAL  22 103.781   6.660  -8.867
  176   3HG1  VAL  22          3HG1      VAL  22 103.974   7.107  -7.173
  177   1HG2  VAL  22          1HG2      VAL  22 106.175   9.917  -9.224
  178   2HG2  VAL  22          2HG2      VAL  22 106.224   8.296  -9.916
  179   3HG2  VAL  22          3HG2      VAL  22 106.714   8.555  -8.242
  180    H    ARG  23           H        ARG  23 102.015  10.714  -8.765
  181    HA   ARG  23           HA       ARG  23 100.050   9.046  -7.530
  182   1HB   ARG  23          2HB       ARG  23 100.655  11.765  -7.805
  183   2HB   ARG  23          1HB       ARG  23  99.060  11.602  -8.537
  184   1HG   ARG  23          2HG       ARG  23  98.840  12.061  -6.136
  185   2HG   ARG  23          1HG       ARG  23  98.258  10.436  -6.500
  186   1HD   ARG  23          2HD       ARG  23  99.897   9.454  -5.253
  187   2HD   ARG  23          1HD       ARG  23 101.141  10.563  -5.859
  188    HE   ARG  23           HE       ARG  23  99.746  12.261  -4.314
  189   1HH1  ARG  23          1HH2      ARG  23 101.776   9.686  -3.684
  190   2HH1  ARG  23          2HH2      ARG  23 101.374   9.538  -2.007
  191   1HH2  ARG  23          2HH1      ARG  23  98.737  11.783  -2.167
  192   2HH2  ARG  23          1HH1      ARG  23  99.654  10.725  -1.148
  193    H    GLN  24           H        GLN  24 100.073  10.645 -10.724
  194    HA   GLN  24           HA       GLN  24  97.494   9.557 -11.512
  195   1HB   GLN  24          2HB       GLN  24  98.474  11.695 -12.303
  196   2HB   GLN  24          1HB       GLN  24  99.754  10.790 -13.114
  197   1HG   GLN  24          2HG       GLN  24  97.980   9.577 -14.419
  198   2HG   GLN  24          1HG       GLN  24  96.785  10.664 -13.707
  199   1HE2  GLN  24          1HE2      GLN  24  99.492  10.485 -15.983
  200   2HE2  GLN  24          2HE2      GLN  24  99.255  12.024 -16.660
  201    H    LEU  25           H        LEU  25 100.859   8.862 -12.585
  202    HA   LEU  25           HA       LEU  25 100.327   6.828 -14.435
  203   1HB   LEU  25          2HB       LEU  25 102.535   7.748 -12.756
  204   2HB   LEU  25          1HB       LEU  25 102.629   6.019 -13.082
  205    HG   LEU  25           HG       LEU  25 102.305   8.181 -15.188
  206   1HD1  LEU  25          1HD1      LEU  25 104.680   6.372 -14.954
  207   2HD1  LEU  25          2HD1      LEU  25 104.573   7.763 -13.876
  208   3HD1  LEU  25          3HD1      LEU  25 104.577   7.999 -15.623
  209   1HD2  LEU  25          1HD2      LEU  25 103.142   5.835 -16.403
  210   2HD2  LEU  25          2HD2      LEU  25 101.489   6.445 -16.401
  211   3HD2  LEU  25          3HD2      LEU  25 101.993   5.261 -15.196
  212    H    LEU  26           H        LEU  26 101.236   6.165 -11.018
  213    HA   LEU  26           HA       LEU  26 100.694   3.408 -11.013
  214   1HB   LEU  26          2HB       LEU  26 101.046   5.595  -9.108
  215   2HB   LEU  26          1HB       LEU  26  99.996   4.325  -8.477
  216    HG   LEU  26           HG       LEU  26 102.626   3.686  -9.813
  217   1HD1  LEU  26          1HD1      LEU  26 103.146   3.362  -7.170
  218   2HD1  LEU  26          2HD1      LEU  26 102.082   4.766  -7.104
  219   3HD1  LEU  26          3HD1      LEU  26 103.560   4.825  -8.064
  220   1HD2  LEU  26          1HD2      LEU  26 101.204   2.148  -7.646
  221   2HD2  LEU  26          2HD2      LEU  26 102.337   1.555  -8.859
  222   3HD2  LEU  26          3HD2      LEU  26 100.695   1.994  -9.328
  223    H    GLU  27           H        GLU  27  98.408   6.056 -10.164
  224    HA   GLU  27           HA       GLU  27  96.215   4.144  -9.801
  225   1HB   GLU  27          2HB       GLU  27  95.033   6.051  -9.060
  226   2HB   GLU  27          1HB       GLU  27  96.702   6.411  -8.628
  227   1HG   GLU  27          2HG       GLU  27  96.929   7.685 -10.774
  228   2HG   GLU  27          1HG       GLU  27  95.214   7.410 -11.071
  229    H    ALA  28           H        ALA  28  97.688   4.980 -12.573
  230    HA   ALA  28           HA       ALA  28  95.136   5.304 -14.113
  231   1HB   ALA  28          1HB       ALA  28  96.779   6.188 -15.865
  232   2HB   ALA  28          2HB       ALA  28  98.008   6.122 -14.601
  233   3HB   ALA  28          3HB       ALA  28  96.604   7.172 -14.412
  234    H    GLY  29           H        GLY  29  98.136   3.436 -13.828
  235   1HA   GLY  29          2HA       GLY  29  97.083   1.086 -14.921
  236   2HA   GLY  29          1HA       GLY  29  97.850   1.958 -16.240
  237    H    ALA  30           H        ALA  30  99.905   3.106 -14.366
  238    HA   ALA  30           HA       ALA  30 102.056   1.381 -14.779
  239   1HB   ALA  30          1HB       ALA  30 101.462   3.756 -13.351
  240   2HB   ALA  30          2HB       ALA  30 103.055   3.136 -13.771
  241   3HB   ALA  30          3HB       ALA  30 102.318   2.704 -12.227
  242    H    ASP  31           H        ASP  31 102.621  -0.592 -13.960
  243    HA   ASP  31           HA       ASP  31 100.965  -1.934 -11.987
  244   1HB   ASP  31          2HB       ASP  31 102.695  -2.615 -14.033
  245   2HB   ASP  31          1HB       ASP  31 103.617  -3.056 -12.595
  246    HA   PRO  32           HA       PRO  32 103.221  -0.641  -8.411
  247   1HB   PRO  32          2HB       PRO  32 102.349  -2.547  -6.660
  248   2HB   PRO  32          1HB       PRO  32 101.332  -1.203  -7.204
  249   1HG   PRO  32          2HG       PRO  32 101.320  -4.045  -8.043
  250   2HG   PRO  32          1HG       PRO  32  99.977  -2.905  -7.889
  251   1HD   PRO  32          2HD       PRO  32 101.167  -3.638 -10.272
  252   2HD   PRO  32          1HD       PRO  32 100.213  -2.161 -10.020
  253    H    ASN  33           H        ASN  33 103.452  -3.931  -9.640
  254    HA   ASN  33           HA       ASN  33 106.056  -4.284  -8.192
  255   1HB   ASN  33          2HB       ASN  33 104.031  -6.241  -9.322
  256   2HB   ASN  33          1HB       ASN  33 105.564  -6.719  -8.590
  257   1HD2  ASN  33          1HD2      ASN  33 105.893  -5.846  -6.258
  258   2HD2  ASN  33          2HD2      ASN  33 104.522  -5.779  -5.260
  259    H    ALA  34           H        ALA  34 105.656  -2.822 -10.763
  260    HA   ALA  34           HA       ALA  34 106.745  -4.637 -12.830
  261   1HB   ALA  34          1HB       ALA  34 105.504  -1.961 -12.605
  262   2HB   ALA  34          2HB       ALA  34 105.332  -3.174 -13.874
  263   3HB   ALA  34          3HB       ALA  34 106.730  -2.100 -13.865
  264    H    LEU  35           H        LEU  35 108.894  -5.107 -12.154
  265    HA   LEU  35           HA       LEU  35 110.712  -3.066 -11.196
  266   1HB   LEU  35          2HB       LEU  35 112.071  -4.879 -10.812
  267   2HB   LEU  35          1HB       LEU  35 110.564  -5.747 -11.038
  268    HG   LEU  35           HG       LEU  35 112.199  -6.896 -12.334
  269   1HD1  LEU  35          1HD1      LEU  35 111.391  -5.658 -14.755
  270   2HD1  LEU  35          2HD1      LEU  35 110.039  -5.536 -13.636
  271   3HD1  LEU  35          3HD1      LEU  35 110.734  -7.110 -14.007
  272   1HD2  LEU  35          1HD2      LEU  35 113.026  -4.765 -14.142
  273   2HD2  LEU  35          2HD2      LEU  35 114.011  -5.912 -13.234
  274   3HD2  LEU  35          3HD2      LEU  35 113.464  -4.420 -12.468
  275    H    ASN  36           H        ASN  36 112.642  -2.292 -12.373
  276    HA   ASN  36           HA       ASN  36 112.107  -2.046 -15.314
  277   1HB   ASN  36          2HB       ASN  36 113.312   0.108 -15.064
  278   2HB   ASN  36          1HB       ASN  36 111.930   0.010 -13.976
  279   1HD2  ASN  36          1HD2      ASN  36 113.543   1.796 -12.963
  280   2HD2  ASN  36          2HD2      ASN  36 114.595   1.198 -11.774
  281    H    ARG  37           H        ARG  37 114.238  -1.532 -16.551
  282    HA   ARG  37           HA       ARG  37 115.966  -3.728 -16.606
  283   1HB   ARG  37          2HB       ARG  37 116.483  -0.817 -17.299
  284   2HB   ARG  37          1HB       ARG  37 117.447  -2.174 -17.884
  285   1HG   ARG  37          2HG       ARG  37 114.819  -2.931 -18.443
  286   2HG   ARG  37          1HG       ARG  37 114.854  -1.209 -18.823
  287   1HD   ARG  37          2HD       ARG  37 117.144  -2.886 -19.786
  288   2HD   ARG  37          1HD       ARG  37 115.594  -3.019 -20.640
  289    HE   ARG  37           HE       ARG  37 117.347  -0.730 -20.736
  290   1HH1  ARG  37          2HH1      ARG  37 114.350  -1.942 -21.670
  291   2HH1  ARG  37          1HH1      ARG  37 113.616  -0.397 -21.936
  292   1HH2  ARG  37          1HH2      ARG  37 116.267   1.393 -20.602
  293   2HH2  ARG  37          2HH2      ARG  37 114.699   1.488 -21.332
  294    H    PHE  38           H        PHE  38 116.081  -0.935 -14.472
  295    HA   PHE  38           HA       PHE  38 118.810  -1.332 -13.551
  296   1HB   PHE  38          2HB       PHE  38 116.713   0.541 -13.294
  297   2HB   PHE  38          1HB       PHE  38 117.019  -0.043 -11.659
  298    HD1  PHE  38           HD1      PHE  38 118.925   1.029 -14.713
  299    HD2  PHE  38           HD2      PHE  38 118.705   0.982 -10.423
  300    HE1  PHE  38           HE1      PHE  38 120.971   2.425 -14.593
  301    HE2  PHE  38           HE2      PHE  38 120.752   2.377 -10.303
  302    HZ   PHE  38           HZ       PHE  38 121.886   3.098 -12.388
  303    H    GLY  39           H        GLY  39 115.875  -3.002 -13.003
  304   1HA   GLY  39          2HA       GLY  39 115.215  -4.623 -11.459
  305   2HA   GLY  39          1HA       GLY  39 116.929  -5.003 -11.368
  306    H    ARG  40           H        ARG  40 115.805  -1.824 -10.496
  307    HA   ARG  40           HA       ARG  40 116.706  -2.277  -7.705
  308   1HB   ARG  40          2HB       ARG  40 117.289  -0.337  -9.375
  309   2HB   ARG  40          1HB       ARG  40 115.717   0.306  -8.899
  310   1HG   ARG  40          2HG       ARG  40 116.370   0.622  -6.677
  311   2HG   ARG  40          1HG       ARG  40 117.676  -0.557  -6.787
  312   1HD   ARG  40          2HD       ARG  40 118.878   0.994  -8.359
  313   2HD   ARG  40          1HD       ARG  40 117.614   2.203  -8.056
  314    HE   ARG  40           HE       ARG  40 118.960   1.017  -5.692
  315   1HH1  ARG  40          2HH1      ARG  40 119.837   3.280  -7.952
  316   2HH1  ARG  40          1HH1      ARG  40 119.909   4.626  -6.865
  317   1HH2  ARG  40          1HH2      ARG  40 118.448   2.915  -4.228
  318   2HH2  ARG  40          2HH2      ARG  40 119.123   4.420  -4.758
  319    H    ARG  41           H        ARG  41 113.838  -2.627  -9.354
  320    HA   ARG  41           HA       ARG  41 111.575  -2.663  -8.693
  321   1HB   ARG  41          2HB       ARG  41 113.287  -3.225  -6.362
  322   2HB   ARG  41          1HB       ARG  41 111.681  -2.645  -5.926
  323   1HG   ARG  41          2HG       ARG  41 111.594  -5.065  -6.109
  324   2HG   ARG  41          1HG       ARG  41 110.704  -4.372  -7.466
  325   1HD   ARG  41          2HD       ARG  41 112.941  -4.552  -8.775
  326   2HD   ARG  41          1HD       ARG  41 113.441  -5.658  -7.479
  327    HE   ARG  41           HE       ARG  41 110.788  -6.184  -8.669
  328   1HH1  ARG  41          1HH2      ARG  41 113.572  -6.510 -10.257
  329   2HH1  ARG  41          2HH2      ARG  41 113.686  -8.237 -10.198
  330   1HH2  ARG  41          2HH1      ARG  41 111.176  -8.591  -7.833
  331   2HH2  ARG  41          1HH1      ARG  41 112.332  -9.414  -8.828
  332    HA   PRO  42           HA       PRO  42 110.308   1.428  -7.740
  333   1HB   PRO  42          2HB       PRO  42 108.039   1.113  -6.242
  334   2HB   PRO  42          1HB       PRO  42 108.106   0.771  -7.983
  335   1HG   PRO  42          2HG       PRO  42 108.196  -1.107  -5.682
  336   2HG   PRO  42          1HG       PRO  42 107.413  -1.289  -7.257
  337   1HD   PRO  42          2HD       PRO  42 109.791  -2.465  -6.597
  338   2HD   PRO  42          1HD       PRO  42 109.315  -2.057  -8.260
  339    H    ILE  43           H        ILE  43 109.833   2.996  -5.900
  340    HA   ILE  43           HA       ILE  43 110.381   3.954  -3.833
  341    HB   ILE  43           HB       ILE  43 110.213   1.025  -3.072
  342   1HG1  ILE  43          2HG1      ILE  43 108.318   3.384  -2.850
  343   2HG1  ILE  43          1HG1      ILE  43 108.122   1.971  -3.889
  344   1HG2  ILE  43          1HG2      ILE  43 111.355   3.126  -1.560
  345   2HG2  ILE  43          2HG2      ILE  43 110.873   1.534  -0.976
  346   3HG2  ILE  43          3HG2      ILE  43 109.738   2.881  -0.902
  347   1HD1  ILE  43          1HD1      ILE  43 108.286   0.629  -1.643
  348   2HD1  ILE  43          2HD1      ILE  43 106.767   1.420  -2.062
  349   3HD1  ILE  43          3HD1      ILE  43 107.860   2.171  -0.900
  350    H    GLN  44           H        GLN  44 112.291   0.897  -3.985
  351    HA   GLN  44           HA       GLN  44 114.593   1.649  -2.661
  352   1HB   GLN  44          2HB       GLN  44 113.771  -0.377  -4.350
  353   2HB   GLN  44          1HB       GLN  44 115.120   0.331  -5.237
  354   1HG   GLN  44          2HG       GLN  44 116.659  -0.389  -3.724
  355   2HG   GLN  44          1HG       GLN  44 115.616  -0.024  -2.349
  356   1HE2  GLN  44          1HE2      GLN  44 116.556  -2.299  -1.711
  357   2HE2  GLN  44          2HE2      GLN  44 115.657  -3.646  -2.219
  358    H    VAL  45           H        VAL  45 113.556   2.781  -5.837
  359    HA   VAL  45           HA       VAL  45 116.056   4.424  -6.040
  360    HB   VAL  45           HB       VAL  45 115.654   2.756  -7.827
  361   1HG1  VAL  45          1HG1      VAL  45 113.682   3.207  -9.368
  362   2HG1  VAL  45          2HG1      VAL  45 113.044   4.264  -8.109
  363   3HG1  VAL  45          3HG1      VAL  45 113.265   2.545  -7.788
  364   1HG2  VAL  45          1HG2      VAL  45 115.020   5.395  -9.102
  365   2HG2  VAL  45          2HG2      VAL  45 116.209   4.183  -9.576
  366   3HG2  VAL  45          3HG2      VAL  45 116.522   5.232  -8.194
  367    H    MET  46           H        MET  46 113.717   5.153  -4.415
  368    HA   MET  46           HA       MET  46 112.571   7.428  -5.994
  369   1HB   MET  46          2HB       MET  46 110.711   7.274  -4.460
  370   2HB   MET  46          1HB       MET  46 111.098   5.628  -4.963
  371   1HG   MET  46          2HG       MET  46 111.267   5.108  -2.770
  372   2HG   MET  46          1HG       MET  46 112.741   6.071  -2.739
  373   1HE   MET  46          1HE       MET  46 111.867   6.187   0.045
  374   2HE   MET  46          2HE       MET  46 110.549   5.235  -0.635
  375   3HE   MET  46          3HE       MET  46 110.188   6.643   0.360
  376    H    MET  47           H        MET  47 112.094   9.396  -4.514
  377    HA   MET  47           HA       MET  47 114.568  10.243  -3.233
  378   1HB   MET  47          2HB       MET  47 112.983  11.715  -4.495
  379   2HB   MET  47          1HB       MET  47 111.781  11.458  -3.229
  380   1HG   MET  47          2HG       MET  47 112.926  12.739  -1.685
  381   2HG   MET  47          1HG       MET  47 114.498  12.386  -2.400
  382   1HE   MET  47          1HE       MET  47 111.051  14.195  -3.039
  383   2HE   MET  47          2HE       MET  47 111.696  15.831  -3.142
  384   3HE   MET  47          3HE       MET  47 112.002  14.859  -1.704
  385    H    MET  48           H        MET  48 114.961   8.956  -1.397
  386    HA   MET  48           HA       MET  48 113.009   8.044   0.463
  387   1HB   MET  48          2HB       MET  48 115.929   8.279   0.211
  388   2HB   MET  48          1HB       MET  48 115.359   8.277   1.881
  389   1HG   MET  48          2HG       MET  48 115.718   5.981   1.259
  390   2HG   MET  48          1HG       MET  48 113.976   6.236   1.304
  391   1HE   MET  48          1HE       MET  48 114.843   3.577  -1.047
  392   2HE   MET  48          2HE       MET  48 113.190   4.179  -1.114
  393   3HE   MET  48          3HE       MET  48 114.042   4.141   0.426
  394    H    GLY  49           H        GLY  49 113.989  11.251  -0.093
  395   1HA   GLY  49          2HA       GLY  49 113.675  12.104   2.714
  396   2HA   GLY  49          1HA       GLY  49 114.057  13.155   1.349
  397    H    SER  50           H        SER  50 111.447  10.914   0.928
  398    HA   SER  50           HA       SER  50 109.375  12.857   1.746
  399   1HB   SER  50          2HB       SER  50 110.013  13.674  -0.437
  400   2HB   SER  50          1HB       SER  50 109.997  12.046  -1.109
  401    HG   SER  50           HG       SER  50 108.066  12.953  -1.653
  402    H    ALA  51           H        ALA  51 108.140  11.416   2.925
  403    HA   ALA  51           HA       ALA  51 107.881   8.603   2.359
  404   1HB   ALA  51          1HB       ALA  51 105.641   9.533   3.824
  405   2HB   ALA  51          2HB       ALA  51 106.987  10.581   4.269
  406   3HB   ALA  51          3HB       ALA  51 107.124   8.835   4.474
  407    H    GLN  52           H        GLN  52 106.101  11.451   1.318
  408    HA   GLN  52           HA       GLN  52 103.674  10.378   0.411
  409   1HB   GLN  52          2HB       GLN  52 104.725  12.769   0.423
  410   2HB   GLN  52          1HB       GLN  52 105.288  12.345  -1.190
  411   1HG   GLN  52          2HG       GLN  52 103.263  13.025  -1.925
  412   2HG   GLN  52          1HG       GLN  52 102.630  11.540  -1.214
  413   1HE2  GLN  52          1HE2      GLN  52 103.543  14.871  -0.148
  414   2HE2  GLN  52          2HE2      GLN  52 102.247  15.036   0.937
  415    H    VAL  53           H        VAL  53 106.884  10.139  -1.054
  416    HA   VAL  53           HA       VAL  53 105.964   8.998  -3.572
  417    HB   VAL  53           HB       VAL  53 108.673   8.915  -2.199
  418   1HG1  VAL  53          1HG1      VAL  53 109.422   8.870  -4.646
  419   2HG1  VAL  53          2HG1      VAL  53 107.746   8.494  -5.045
  420   3HG1  VAL  53          3HG1      VAL  53 108.680   7.392  -4.034
  421   1HG2  VAL  53          1HG2      VAL  53 107.877  10.892  -4.319
  422   2HG2  VAL  53          2HG2      VAL  53 109.151  11.017  -3.107
  423   3HG2  VAL  53          3HG2      VAL  53 107.463  11.212  -2.636
  424    H    ALA  54           H        ALA  54 107.503   7.645  -0.638
  425    HA   ALA  54           HA       ALA  54 107.363   4.894  -1.521
  426   1HB   ALA  54          1HB       ALA  54 108.288   6.473   0.717
  427   2HB   ALA  54          2HB       ALA  54 108.803   4.861   0.223
  428   3HB   ALA  54          3HB       ALA  54 107.426   5.053   1.308
  429    H    GLU  55           H        GLU  55 105.104   7.069   0.021
  430    HA   GLU  55           HA       GLU  55 103.372   5.133   1.249
  431   1HB   GLU  55          2HB       GLU  55 103.604   7.774   1.355
  432   2HB   GLU  55          1HB       GLU  55 102.384   7.712   0.082
  433   1HG   GLU  55          2HG       GLU  55 101.362   5.920   1.880
  434   2HG   GLU  55          1HG       GLU  55 102.140   7.080   2.957
  435    H    LEU  56           H        LEU  56 103.051   6.869  -1.885
  436    HA   LEU  56           HA       LEU  56 100.720   5.483  -2.770
  437   1HB   LEU  56          2HB       LEU  56 102.134   7.579  -3.626
  438   2HB   LEU  56          1HB       LEU  56 102.836   6.366  -4.694
  439    HG   LEU  56           HG       LEU  56 100.010   7.373  -4.571
  440   1HD1  LEU  56          1HD1      LEU  56 102.032   6.725  -6.726
  441   2HD1  LEU  56          2HD1      LEU  56 101.404   8.311  -6.278
  442   3HD1  LEU  56          3HD1      LEU  56 100.356   7.141  -7.081
  443   1HD2  LEU  56          1HD2      LEU  56  99.375   5.377  -6.007
  444   2HD2  LEU  56          2HD2      LEU  56  99.642   5.000  -4.305
  445   3HD2  LEU  56          3HD2      LEU  56 100.883   4.618  -5.499
  446    H    LEU  57           H        LEU  57 104.121   4.931  -3.780
  447    HA   LEU  57           HA       LEU  57 103.818   2.677  -5.380
  448   1HB   LEU  57          2HB       LEU  57 105.880   3.855  -3.626
  449   2HB   LEU  57          1HB       LEU  57 106.126   2.147  -3.984
  450    HG   LEU  57           HG       LEU  57 107.246   3.565  -5.660
  451   1HD1  LEU  57          1HD1      LEU  57 106.687   2.182  -7.385
  452   2HD1  LEU  57          2HD1      LEU  57 104.965   2.536  -7.247
  453   3HD1  LEU  57          3HD1      LEU  57 105.716   1.373  -6.154
  454   1HD2  LEU  57          1HD2      LEU  57 105.688   4.845  -7.245
  455   2HD2  LEU  57          2HD2      LEU  57 105.931   5.557  -5.651
  456   3HD2  LEU  57          3HD2      LEU  57 104.449   4.671  -6.002
  457    H    LEU  58           H        LEU  58 104.299   2.628  -1.827
  458    HA   LEU  58           HA       LEU  58 103.986  -0.237  -1.602
  459   1HB   LEU  58          2HB       LEU  58 105.200   1.217  -0.011
  460   2HB   LEU  58          1HB       LEU  58 103.683   2.009   0.416
  461    HG   LEU  58           HG       LEU  58 102.776  -0.163   1.186
  462   1HD1  LEU  58          1HD1      LEU  58 105.442  -1.089   0.166
  463   2HD1  LEU  58          2HD1      LEU  58 103.860  -1.853   0.009
  464   3HD1  LEU  58          3HD1      LEU  58 104.724  -1.923   1.545
  465   1HD2  LEU  58          1HD2      LEU  58 105.355   0.894   2.338
  466   2HD2  LEU  58          2HD2      LEU  58 104.506  -0.448   3.106
  467   3HD2  LEU  58          3HD2      LEU  58 103.711   1.116   2.933
  468    H    LEU  59           H        LEU  59 101.729   2.449  -1.684
  469    HA   LEU  59           HA       LEU  59  99.494   1.146  -0.407
  470   1HB   LEU  59          2HB       LEU  59  99.703   3.578  -0.767
  471   2HB   LEU  59          1HB       LEU  59  99.648   3.332  -2.512
  472    HG   LEU  59           HG       LEU  59  97.390   2.297  -2.255
  473   1HD1  LEU  59          1HD1      LEU  59  97.560   1.534   0.051
  474   2HD1  LEU  59          2HD1      LEU  59  96.222   2.677  -0.073
  475   3HD1  LEU  59          3HD1      LEU  59  97.760   3.193   0.619
  476   1HD2  LEU  59          1HD2      LEU  59  97.128   4.933  -0.899
  477   2HD2  LEU  59          2HD2      LEU  59  96.355   4.344  -2.370
  478   3HD2  LEU  59          3HD2      LEU  59  98.022   4.918  -2.418
  479    H    HIS  60           H        HIS  60 100.555   1.381  -3.807
  480    HA   HIS  60           HA       HIS  60  98.290  -0.178  -4.803
  481   1HB   HIS  60          2HB       HIS  60 100.896   0.866  -5.936
  482   2HB   HIS  60          1HB       HIS  60  99.776  -0.094  -6.903
  483    HD1  HIS  60           HD1      HIS  60  98.926   1.769  -8.433
  484    HD2  HIS  60           HD2      HIS  60  98.538   2.699  -4.387
  485    HE1  HIS  60           HE1      HIS  60  97.527   3.881  -8.314
  486    H    GLY  61           H        GLY  61 101.615  -0.835  -3.803
  487   1HA   GLY  61          2HA       GLY  61 101.745  -3.255  -2.921
  488   2HA   GLY  61          1HA       GLY  61 101.257  -3.665  -4.557
  489    H    ALA  62           H        ALA  62 103.668  -1.396  -3.191
  490    HA   ALA  62           HA       ALA  62 105.545  -1.839  -5.346
  491   1HB   ALA  62          1HB       ALA  62 105.652  -0.604  -2.587
  492   2HB   ALA  62          2HB       ALA  62 105.610   0.220  -4.146
  493   3HB   ALA  62          3HB       ALA  62 107.064  -0.638  -3.643
  494    H    GLU  63           H        GLU  63 107.981  -2.311  -4.195
  495    HA   GLU  63           HA       GLU  63 107.696  -5.071  -3.053
  496   1HB   GLU  63          2HB       GLU  63 109.549  -3.784  -5.055
  497   2HB   GLU  63          1HB       GLU  63 110.052  -5.236  -4.191
  498   1HG   GLU  63          2HG       GLU  63 108.937  -6.418  -5.758
  499   2HG   GLU  63          1HG       GLU  63 107.452  -5.818  -5.022
  500    HA   PRO  64           HA       PRO  64 109.970  -2.452   0.002
  501   1HB   PRO  64          2HB       PRO  64 108.539  -3.236   2.194
  502   2HB   PRO  64          1HB       PRO  64 108.038  -1.896   1.144
  503   1HG   PRO  64          2HG       PRO  64 107.013  -4.673   1.283
  504   2HG   PRO  64          1HG       PRO  64 106.155  -3.166   0.933
  505   1HD   PRO  64          2HD       PRO  64 106.947  -5.015  -0.962
  506   2HD   PRO  64          1HD       PRO  64 106.575  -3.312  -1.296
  507    H    ASN  65           H        ASN  65 108.961  -5.825  -0.031
  508    HA   ASN  65           HA       ASN  65 111.004  -6.649   1.932
  509   1HB   ASN  65          2HB       ASN  65 108.736  -7.664   1.768
  510   2HB   ASN  65          1HB       ASN  65 109.125  -8.224   0.140
  511   1HD2  ASN  65          1HD2      ASN  65 111.087  -9.728  -0.011
  512   2HD2  ASN  65          2HD2      ASN  65 111.394 -10.767   1.295
  513    H    CYS  66           H        CYS  66 110.293  -7.562  -1.469
  514    HA   CYS  66           HA       CYS  66 112.687  -8.906  -2.049
  515   1HB   CYS  66          2HB       CYS  66 110.441  -7.783  -3.405
  516   2HB   CYS  66          1HB       CYS  66 111.896  -7.435  -4.327
  517    HG   CYS  66           HG       CYS  66 112.407 -10.083  -4.181
  518    H    ALA  67           H        ALA  67 114.485  -8.060  -3.532
  519    HA   ALA  67           HA       ALA  67 115.075  -5.201  -3.497
  520   1HB   ALA  67          1HB       ALA  67 116.839  -5.276  -1.858
  521   2HB   ALA  67          2HB       ALA  67 116.742  -7.033  -1.751
  522   3HB   ALA  67          3HB       ALA  67 115.428  -6.037  -1.125
  523    H    ASP  68           H        ASP  68 117.900  -5.432  -3.599
  524    HA   ASP  68           HA       ASP  68 118.262  -6.469  -6.309
  525   1HB   ASP  68          2HB       ASP  68 119.250  -4.381  -5.080
  526   2HB   ASP  68          1HB       ASP  68 120.425  -5.526  -4.437
  527    HA   PRO  69           HA       PRO  69 119.543 -10.460  -4.720
  528   1HB   PRO  69          2HB       PRO  69 120.021 -11.624  -7.146
  529   2HB   PRO  69          1HB       PRO  69 118.388 -11.411  -6.485
  530   1HG   PRO  69          2HG       PRO  69 119.812  -9.825  -8.553
  531   2HG   PRO  69          1HG       PRO  69 118.102 -10.269  -8.449
  532   1HD   PRO  69          2HD       PRO  69 119.090  -7.798  -7.792
  533   2HD   PRO  69          1HD       PRO  69 117.586  -8.478  -7.136
  534    H    ALA  70           H        ALA  70 121.328  -8.375  -6.900
  535    HA   ALA  70           HA       ALA  70 123.795  -9.762  -7.109
  536   1HB   ALA  70          1HB       ALA  70 123.277  -7.797  -8.417
  537   2HB   ALA  70          2HB       ALA  70 124.675  -7.401  -7.417
  538   3HB   ALA  70          3HB       ALA  70 123.073  -6.821  -6.963
  539    H    THR  71           H        THR  71 122.713  -7.418  -4.625
  540    HA   THR  71           HA       THR  71 124.640  -8.643  -2.713
  541    HB   THR  71           HB       THR  71 125.436  -6.319  -2.159
  542    HG1  THR  71           HG1      THR  71 124.212  -4.819  -2.949
  543   1HG2  THR  71          1HG2      THR  71 127.062  -6.342  -3.816
  544   2HG2  THR  71          2HG2      THR  71 125.905  -6.734  -5.088
  545   3HG2  THR  71          3HG2      THR  71 126.429  -7.982  -3.957
  546    H    LEU  72           H        LEU  72 122.252  -9.298  -2.147
  547    HA   LEU  72           HA       LEU  72 120.089  -8.560  -1.143
  548   1HB   LEU  72          2HB       LEU  72 122.411  -9.035   0.724
  549   2HB   LEU  72          1HB       LEU  72 120.747  -8.964   1.295
  550    HG   LEU  72           HG       LEU  72 121.383 -10.741  -1.028
  551   1HD1  LEU  72          1HD1      LEU  72 121.696 -12.540   0.871
  552   2HD1  LEU  72          2HD1      LEU  72 122.214 -11.154   1.831
  553   3HD1  LEU  72          3HD1      LEU  72 123.076 -11.574   0.351
  554   1HD2  LEU  72          1HD2      LEU  72 119.126 -10.845  -0.577
  555   2HD2  LEU  72          2HD2      LEU  72 119.342 -10.454   1.129
  556   3HD2  LEU  72          3HD2      LEU  72 119.678 -12.084   0.549
  557    H    THR  73           H        THR  73 119.770  -6.262  -1.717
  558    HA   THR  73           HA       THR  73 120.561  -4.422   0.518
  559    HB   THR  73           HB       THR  73 120.224  -2.897  -1.818
  560    HG1  THR  73           HG1      THR  73 121.764  -4.046  -3.183
  561   1HG2  THR  73          1HG2      THR  73 122.651  -2.572  -1.625
  562   2HG2  THR  73          2HG2      THR  73 122.766  -3.992  -0.587
  563   3HG2  THR  73          3HG2      THR  73 121.897  -2.562  -0.032
  564    H    ARG  74           H        ARG  74 118.411  -4.926   1.430
  565    HA   ARG  74           HA       ARG  74 115.938  -4.552   0.058
  566   1HB   ARG  74          2HB       ARG  74 116.968  -4.834   2.791
  567   2HB   ARG  74          1HB       ARG  74 115.493  -3.871   2.707
  568   1HG   ARG  74          2HG       ARG  74 114.839  -6.184   2.958
  569   2HG   ARG  74          1HG       ARG  74 114.473  -5.701   1.302
  570   1HD   ARG  74          2HD       ARG  74 116.400  -6.833   0.440
  571   2HD   ARG  74          1HD       ARG  74 117.072  -7.064   2.065
  572    HE   ARG  74           HE       ARG  74 114.825  -8.384   2.444
  573   1HH1  ARG  74          2HH1      ARG  74 113.979  -8.291  -0.402
  574   2HH1  ARG  74          1HH1      ARG  74 114.627  -9.766  -1.038
  575   1HH2  ARG  74          1HH2      ARG  74 116.824 -10.249   1.602
  576   2HH2  ARG  74          2HH2      ARG  74 116.238 -10.875   0.097
  577    HA   PRO  75           HA       PRO  75 115.553  -0.178  -0.235
  578   1HB   PRO  75          2HB       PRO  75 112.888   0.193   0.276
  579   2HB   PRO  75          1HB       PRO  75 113.494  -0.505  -1.239
  580   1HG   PRO  75          2HG       PRO  75 112.348  -1.869   1.148
  581   2HG   PRO  75          1HG       PRO  75 112.119  -2.223  -0.573
  582   1HD   PRO  75          2HD       PRO  75 113.787  -3.652   1.031
  583   2HD   PRO  75          1HD       PRO  75 114.051  -3.448  -0.715
  584    H    VAL  76           H        VAL  76 114.675  -1.816   2.702
  585    HA   VAL  76           HA       VAL  76 113.981   0.376   4.388
  586    HB   VAL  76           HB       VAL  76 115.467  -2.210   4.968
  587   1HG1  VAL  76          1HG1      VAL  76 114.178  -1.826   7.218
  588   2HG1  VAL  76          2HG1      VAL  76 114.150  -0.138   6.705
  589   3HG1  VAL  76          3HG1      VAL  76 115.690  -0.964   6.937
  590   1HG2  VAL  76          1HG2      VAL  76 112.568  -1.884   5.538
  591   2HG2  VAL  76          2HG2      VAL  76 113.445  -3.294   4.946
  592   3HG2  VAL  76          3HG2      VAL  76 113.011  -1.995   3.835
  593    H    HIS  77           H        HIS  77 117.107  -0.854   3.297
  594    HA   HIS  77           HA       HIS  77 118.787   0.555   5.144
  595   1HB   HIS  77          2HB       HIS  77 119.093  -0.554   2.348
  596   2HB   HIS  77          1HB       HIS  77 120.442   0.209   3.189
  597    HD1  HIS  77           HD1      HIS  77 118.018  -2.687   3.562
  598    HD2  HIS  77           HD2      HIS  77 121.664  -1.398   5.121
  599    HE1  HIS  77           HE1      HIS  77 118.895  -4.582   4.995
  600    H    ASP  78           H        ASP  78 117.517   1.445   1.926
  601    HA   ASP  78           HA       ASP  78 118.907   3.974   1.771
  602   1HB   ASP  78          2HB       ASP  78 117.626   2.389   0.033
  603   2HB   ASP  78          1HB       ASP  78 116.298   3.491   0.396
  604    H    ALA  79           H        ALA  79 115.524   3.129   2.620
  605    HA   ALA  79           HA       ALA  79 114.492   5.693   3.103
  606   1HB   ALA  79          1HB       ALA  79 113.054   4.415   4.795
  607   2HB   ALA  79          2HB       ALA  79 114.062   3.012   4.439
  608   3HB   ALA  79          3HB       ALA  79 113.095   3.751   3.163
  609    H    ALA  80           H        ALA  80 116.707   3.805   5.082
  610    HA   ALA  80           HA       ALA  80 116.529   5.769   7.309
  611   1HB   ALA  80          1HB       ALA  80 118.114   3.202   6.971
  612   2HB   ALA  80          2HB       ALA  80 116.509   3.302   7.692
  613   3HB   ALA  80          3HB       ALA  80 117.878   4.085   8.478
  614    H    ARG  81           H        ARG  81 118.639   4.738   4.691
  615    HA   ARG  81           HA       ARG  81 121.128   5.798   5.481
  616   1HB   ARG  81          2HB       ARG  81 120.519   4.464   3.419
  617   2HB   ARG  81          1HB       ARG  81 119.860   5.947   2.728
  618   1HG   ARG  81          2HG       ARG  81 121.914   6.749   2.226
  619   2HG   ARG  81          1HG       ARG  81 122.557   6.313   3.810
  620   1HD   ARG  81          2HD       ARG  81 123.783   4.909   2.362
  621   2HD   ARG  81          1HD       ARG  81 122.448   3.851   2.856
  622    HE   ARG  81           HE       ARG  81 121.263   4.698   0.746
  623   1HH1  ARG  81          2HH1      ARG  81 124.281   3.333   0.839
  624   2HH1  ARG  81          1HH1      ARG  81 124.785   3.860  -0.731
  625   1HH2  ARG  81          1HH2      ARG  81 122.079   5.981  -1.180
  626   2HH2  ARG  81          2HH2      ARG  81 123.538   5.358  -1.875
  627    H    GLU  82           H        GLU  82 118.211   7.443   4.415
  628    HA   GLU  82           HA       GLU  82 119.626  10.067   4.331
  629   1HB   GLU  82          2HB       GLU  82 117.069   8.887   3.318
  630   2HB   GLU  82          1HB       GLU  82 117.107  10.626   3.619
  631   1HG   GLU  82          2HG       GLU  82 117.783  10.351   1.343
  632   2HG   GLU  82          1HG       GLU  82 119.262  10.678   2.248
  633    H    GLY  83           H        GLY  83 117.282   8.211   6.182
  634   1HA   GLY  83          2HA       GLY  83 116.917   8.643   8.543
  635   2HA   GLY  83          1HA       GLY  83 117.317  10.337   8.263
  636    H    PHE  84           H        PHE  84 115.043   8.212   6.516
  637    HA   PHE  84           HA       PHE  84 112.910  10.248   7.048
  638   1HB   PHE  84          2HB       PHE  84 113.778   9.512   4.694
  639   2HB   PHE  84          1HB       PHE  84 112.818   8.059   4.978
  640    HD1  PHE  84           HD1      PHE  84 110.476  10.698   3.141
  641    HD2  PHE  84           HD2      PHE  84 112.748  11.867   4.446
  642    HE1  PHE  84           HE1      PHE  84 110.991  12.505   5.287
  643    HE2  PHE  84           HE2      PHE  84 110.460  10.720   3.164
  644    HZ   PHE  84           HZ       PHE  84 110.289  10.173   6.295
  645    H    LEU  85           H        LEU  85 112.101   9.455   9.034
  646    HA   LEU  85           HA       LEU  85 111.577   6.653   9.561
  647   1HB   LEU  85          2HB       LEU  85 111.883   8.876  11.037
  648   2HB   LEU  85          1HB       LEU  85 110.123   8.850  10.967
  649    HG   LEU  85           HG       LEU  85 110.920   7.636  12.948
  650   1HD1  LEU  85          1HD1      LEU  85 109.548   5.730  12.690
  651   2HD1  LEU  85          2HD1      LEU  85 109.942   5.565  10.980
  652   3HD1  LEU  85          3HD1      LEU  85 108.901   6.881  11.521
  653   1HD2  LEU  85          1HD2      LEU  85 113.106   6.969  11.759
  654   2HD2  LEU  85          2HD2      LEU  85 112.186   5.622  11.087
  655   3HD2  LEU  85          3HD2      LEU  85 112.377   5.779  12.832
  656    H    ASP  86           H        ASP  86 109.763   9.222   8.024
  657    HA   ASP  86           HA       ASP  86 107.098   8.273   8.346
  658   1HB   ASP  86          2HB       ASP  86 108.407   9.677   5.988
  659   2HB   ASP  86          1HB       ASP  86 106.679   9.648   6.334
  660    H    THR  87           H        THR  87 109.338   7.684   5.583
  661    HA   THR  87           HA       THR  87 107.655   5.829   4.214
  662    HB   THR  87           HB       THR  87 110.682   6.012   4.327
  663    HG1  THR  87           HG1      THR  87 109.120   7.156   2.322
  664   1HG2  THR  87          1HG2      THR  87 110.062   5.295   1.787
  665   2HG2  THR  87          2HG2      THR  87 108.769   4.481   2.667
  666   3HG2  THR  87          3HG2      THR  87 110.452   4.136   3.056
  667    H    LEU  88           H        LEU  88 110.075   5.356   6.774
  668    HA   LEU  88           HA       LEU  88 110.264   2.528   6.738
  669   1HB   LEU  88          2HB       LEU  88 111.249   4.631   8.207
  670   2HB   LEU  88          1HB       LEU  88 110.200   3.838   9.385
  671    HG   LEU  88           HG       LEU  88 111.363   1.645   8.495
  672   1HD1  LEU  88          1HD1      LEU  88 113.482   1.898   7.535
  673   2HD1  LEU  88          2HD1      LEU  88 113.653   3.554   8.115
  674   3HD1  LEU  88          3HD1      LEU  88 112.580   3.202   6.762
  675   1HD2  LEU  88          1HD2      LEU  88 112.235   3.681  10.489
  676   2HD2  LEU  88          2HD2      LEU  88 113.379   2.392  10.121
  677   3HD2  LEU  88          3HD2      LEU  88 111.774   1.996  10.732
  678    H    VAL  89           H        VAL  89 108.018   4.602   8.607
  679    HA   VAL  89           HA       VAL  89 106.565   2.519   9.892
  680    HB   VAL  89           HB       VAL  89 105.709   5.271   8.927
  681   1HG1  VAL  89          1HG1      VAL  89 104.450   3.222  10.719
  682   2HG1  VAL  89          2HG1      VAL  89 103.690   4.285   9.534
  683   3HG1  VAL  89          3HG1      VAL  89 104.223   4.932  11.086
  684   1HG2  VAL  89          1HG2      VAL  89 107.383   4.277  11.156
  685   2HG2  VAL  89          2HG2      VAL  89 106.143   5.440  11.625
  686   3HG2  VAL  89          3HG2      VAL  89 107.340   5.872  10.405
  687    H    VAL  90           H        VAL  90 105.801   4.280   6.863
  688    HA   VAL  90           HA       VAL  90 103.459   2.919   6.132
  689    HB   VAL  90           HB       VAL  90 105.727   4.002   4.430
  690   1HG1  VAL  90          1HG1      VAL  90 103.401   4.437   3.046
  691   2HG1  VAL  90          2HG1      VAL  90 103.084   2.864   3.774
  692   3HG1  VAL  90          3HG1      VAL  90 104.500   3.091   2.747
  693   1HG2  VAL  90          1HG2      VAL  90 104.289   5.385   6.264
  694   2HG2  VAL  90          2HG2      VAL  90 103.203   5.513   4.881
  695   3HG2  VAL  90          3HG2      VAL  90 104.861   6.103   4.759
  696    H    LEU  91           H        LEU  91 106.845   2.080   5.367
  697    HA   LEU  91           HA       LEU  91 106.387  -0.214   3.765
  698   1HB   LEU  91          2HB       LEU  91 108.528   1.063   5.284
  699   2HB   LEU  91          1HB       LEU  91 108.683  -0.694   5.298
  700    HG   LEU  91           HG       LEU  91 108.165  -0.443   2.716
  701   1HD1  LEU  91          1HD1      LEU  91 109.261   1.666   1.868
  702   2HD1  LEU  91          2HD1      LEU  91 109.251   2.268   3.527
  703   3HD1  LEU  91          3HD1      LEU  91 107.729   1.937   2.700
  704   1HD2  LEU  91          1HD2      LEU  91 110.247  -1.348   3.709
  705   2HD2  LEU  91          2HD2      LEU  91 110.843   0.296   3.942
  706   3HD2  LEU  91          3HD2      LEU  91 110.597  -0.330   2.312
  707    H    HIS  92           H        HIS  92 107.106  -0.128   7.277
  708    HA   HIS  92           HA       HIS  92 106.611  -2.909   7.745
  709   1HB   HIS  92          2HB       HIS  92 107.837  -1.135   9.146
  710   2HB   HIS  92          1HB       HIS  92 106.243  -0.642   9.715
  711    HD1  HIS  92           HD1      HIS  92 108.911  -2.811  10.643
  712    HD2  HIS  92           HD2      HIS  92 104.760  -3.162  10.693
  713    HE1  HIS  92           HE1      HIS  92 108.371  -4.689  12.252
  714    H    ARG  93           H        ARG  93 104.446  -0.177   7.438
  715    HA   ARG  93           HA       ARG  93 102.193  -1.426   8.818
  716   1HB   ARG  93          2HB       ARG  93 102.864   1.057   7.357
  717   2HB   ARG  93          1HB       ARG  93 101.171   0.573   7.254
  718   1HG   ARG  93          2HG       ARG  93 101.274   0.267   9.804
  719   2HG   ARG  93          1HG       ARG  93 102.793   1.162   9.733
  720   1HD   ARG  93          2HD       ARG  93 101.645   3.066   8.666
  721   2HD   ARG  93          1HD       ARG  93 100.114   2.168   8.701
  722    HE   ARG  93           HE       ARG  93 101.498   2.409  11.294
  723   1HH1  ARG  93          2HH1      ARG  93 100.014   4.670   9.373
  724   2HH1  ARG  93          1HH1      ARG  93  98.705   5.015  10.452
  725   1HH2  ARG  93          1HH2      ARG  93  99.416   2.374  12.585
  726   2HH2  ARG  93          2HH2      ARG  93  98.367   3.716  12.270
  727    H    ALA  94           H        ALA  94 103.299  -1.175   5.460
  728    HA   ALA  94           HA       ALA  94 100.888  -2.566   4.509
  729   1HB   ALA  94          1HB       ALA  94 103.055  -1.815   2.650
  730   2HB   ALA  94          2HB       ALA  94 102.353  -0.478   3.560
  731   3HB   ALA  94          3HB       ALA  94 101.326  -1.488   2.544
  732    H    GLY  95           H        GLY  95 102.720  -4.124   6.118
  733   1HA   GLY  95          2HA       GLY  95 103.761  -6.226   6.058
  734   2HA   GLY  95          1HA       GLY  95 103.047  -6.424   4.457
  735    H    ALA  96           H        ALA  96 105.946  -5.960   6.150
  736    HA   ALA  96           HA       ALA  96 107.528  -6.069   3.704
  737   1HB   ALA  96          1HB       ALA  96 107.353  -3.526   5.350
  738   2HB   ALA  96          2HB       ALA  96 106.920  -3.721   3.650
  739   3HB   ALA  96          3HB       ALA  96 108.609  -3.825   4.149
  740    H    ARG  97           H        ARG  97 109.438  -7.092   4.244
  741    HA   ARG  97           HA       ARG  97 110.011  -7.746   7.025
  742   1HB   ARG  97          2HB       ARG  97 110.390  -9.234   5.061
  743   2HB   ARG  97          1HB       ARG  97 111.632  -8.120   4.484
  744   1HG   ARG  97          2HG       ARG  97 112.192  -8.701   7.226
  745   2HG   ARG  97          1HG       ARG  97 111.902 -10.232   6.399
  746   1HD   ARG  97          2HD       ARG  97 113.721  -8.121   5.216
  747   2HD   ARG  97          1HD       ARG  97 114.322  -9.363   6.333
  748    HE   ARG  97           HE       ARG  97 112.803 -10.108   3.862
  749   1HH1  ARG  97          2HH1      ARG  97 114.510 -11.378   6.410
  750   2HH1  ARG  97          1HH1      ARG  97 115.623 -12.303   5.457
  751   1HH2  ARG  97          1HH2      ARG  97 114.648 -10.875   2.452
  752   2HH2  ARG  97          2HH2      ARG  97 115.700 -12.018   3.216
  753    H    LEU  98           H        LEU  98 111.589  -6.819   8.352
  754    HA   LEU  98           HA       LEU  98 113.214  -4.580   7.181
  755   1HB   LEU  98          2HB       LEU  98 111.998  -4.688   9.955
  756   2HB   LEU  98          1HB       LEU  98 112.708  -3.290   9.153
  757    HG   LEU  98           HG       LEU  98 110.804  -3.949   7.338
  758   1HD1  LEU  98          1HD1      LEU  98 109.842  -5.766   8.589
  759   2HD1  LEU  98          2HD1      LEU  98 108.725  -4.407   8.721
  760   3HD1  LEU  98          3HD1      LEU  98 109.797  -4.801  10.065
  761   1HD2  LEU  98          1HD2      LEU  98 110.966  -1.720   8.120
  762   2HD2  LEU  98          2HD2      LEU  98 110.690  -2.200   9.795
  763   3HD2  LEU  98          3HD2      LEU  98 109.361  -2.236   8.638
  764    H    ASP  99           H        ASP  99 113.715  -7.556   8.056
  765    HA   ASP  99           HA       ASP  99 116.037  -6.947   9.860
  766   1HB   ASP  99          2HB       ASP  99 115.636  -9.236  10.760
  767   2HB   ASP  99          1HB       ASP  99 114.229  -8.193  10.967
  768    H    VAL 100           H        VAL 100 116.616  -6.692   7.231
  769    HA   VAL 100           HA       VAL 100 117.742  -9.336   6.378
  770    HB   VAL 100           HB       VAL 100 116.061  -8.203   4.902
  771   1HG1  VAL 100          1HG1      VAL 100 117.934  -6.159   3.961
  772   2HG1  VAL 100          2HG1      VAL 100 117.429  -5.896   5.630
  773   3HG1  VAL 100          3HG1      VAL 100 116.220  -6.016   4.353
  774   1HG2  VAL 100          1HG2      VAL 100 118.269  -9.535   4.173
  775   2HG2  VAL 100          2HG2      VAL 100 118.652  -7.980   3.434
  776   3HG2  VAL 100          3HG2      VAL 100 117.175  -8.832   2.983
  777    H    CYS 101           H        CYS 101 119.889  -9.160   5.247
  778    HA   CYS 101           HA       CYS 101 121.615  -7.117   6.588
  779   1HB   CYS 101          2HB       CYS 101 122.145  -9.838   5.355
  780   2HB   CYS 101          1HB       CYS 101 123.399  -8.809   6.049
  781    HG   CYS 101           HG       CYS 101 121.003  -9.825   7.789
  782    H    ASP 102           H        ASP 102 123.164  -5.964   5.288
  783    HA   ASP 102           HA       ASP 102 122.311  -5.460   2.539
  784   1HB   ASP 102          2HB       ASP 102 123.134  -3.735   4.145
  785   2HB   ASP 102          1HB       ASP 102 124.723  -4.500   4.113
  786    H    ALA 103           H        ALA 103 122.892  -8.043   2.361
  787    HA   ALA 103           HA       ALA 103 124.175  -9.587   1.127
  788   1HB   ALA 103          1HB       ALA 103 124.931  -8.567  -0.743
  789   2HB   ALA 103          2HB       ALA 103 126.190  -7.728   0.162
  790   3HB   ALA 103          3HB       ALA 103 124.578  -7.023   0.033
  791    H    TRP 104           H        TRP 104 126.698  -7.214   2.007
  792    HA   TRP 104           HA       TRP 104 128.580  -9.211   2.854
  793   1HB   TRP 104          2HB       TRP 104 128.424  -6.285   3.634
  794   2HB   TRP 104          1HB       TRP 104 129.873  -7.282   3.560
  795    HD1  TRP 104           HD1      TRP 104 129.369  -4.592   1.832
  796    HE1  TRP 104           HE1      TRP 104 129.571  -4.733  -0.733
  797    HE3  TRP 104           HE3      TRP 104 128.719  -9.622   1.155
  798    HZ2  TRP 104           HZ2      TRP 104 129.471  -6.707  -2.796
  799    HZ3  TRP 104           HZ3      TRP 104 128.777 -10.599  -1.117
  800    HH2  TRP 104           HH2      TRP 104 129.151  -9.150  -3.093
  801    H    GLY 105           H        GLY 105 126.722  -6.860   4.839
  802   1HA   GLY 105          2HA       GLY 105 125.814  -8.620   6.808
  803   2HA   GLY 105          1HA       GLY 105 127.440  -8.169   7.319
  804    H    ARG 106           H        ARG 106 127.148  -5.457   6.072
  805    HA   ARG 106           HA       ARG 106 126.372  -3.943   8.312
  806   1HB   ARG 106          2HB       ARG 106 127.316  -3.532   5.714
  807   2HB   ARG 106          1HB       ARG 106 125.789  -2.652   5.751
  808   1HG   ARG 106          2HG       ARG 106 127.349  -1.069   6.535
  809   2HG   ARG 106          1HG       ARG 106 126.635  -1.706   8.016
  810   1HD   ARG 106          2HD       ARG 106 128.606  -3.450   7.895
  811   2HD   ARG 106          1HD       ARG 106 129.367  -2.219   6.867
  812    HE   ARG 106           HE       ARG 106 128.425  -0.735   8.983
  813   1HH1  ARG 106          2HH1      ARG 106 131.144  -2.491   8.276
  814   2HH1  ARG 106          1HH1      ARG 106 131.666  -2.712   9.913
  815   1HH2  ARG 106          1HH2      ARG 106 128.729  -1.494  11.297
  816   2HH2  ARG 106          2HH2      ARG 106 130.299  -2.149  11.623
  817    H    LEU 107           H        LEU 107 124.363  -4.269   9.269
  818    HA   LEU 107           HA       LEU 107 121.939  -4.804   7.760
  819   1HB   LEU 107          2HB       LEU 107 122.830  -4.431  10.563
  820   2HB   LEU 107          1HB       LEU 107 121.137  -4.042  10.256
  821    HG   LEU 107           HG       LEU 107 121.293  -6.356   8.888
  822   1HD1  LEU 107          1HD1      LEU 107 122.890  -7.827   9.631
  823   2HD1  LEU 107          2HD1      LEU 107 122.929  -7.128  11.250
  824   3HD1  LEU 107          3HD1      LEU 107 123.784  -6.335   9.926
  825   1HD2  LEU 107          1HD2      LEU 107 120.726  -7.375  11.321
  826   2HD2  LEU 107          2HD2      LEU 107 119.598  -6.340  10.445
  827   3HD2  LEU 107          3HD2      LEU 107 120.623  -5.657  11.706
  828    HA   PRO 108           HA       PRO 108 120.469  -0.725   7.052
  829   1HB   PRO 108          2HB       PRO 108 117.836  -0.834   7.784
  830   2HB   PRO 108          1HB       PRO 108 118.466  -1.625   6.325
  831   1HG   PRO 108          2HG       PRO 108 117.794  -2.798   8.974
  832   2HG   PRO 108          1HG       PRO 108 117.568  -3.467   7.352
  833   1HD   PRO 108          2HD       PRO 108 119.598  -4.197   9.034
  834   2HD   PRO 108          1HD       PRO 108 119.691  -4.306   7.264
  835    H    VAL 109           H        VAL 109 119.352  -1.969  10.211
  836    HA   VAL 109           HA       VAL 109 118.839   0.519  11.483
  837    HB   VAL 109           HB       VAL 109 118.203  -1.719  12.318
  838   1HG1  VAL 109          1HG1      VAL 109 121.048  -2.122  13.220
  839   2HG1  VAL 109          2HG1      VAL 109 120.537  -2.657  11.619
  840   3HG1  VAL 109          3HG1      VAL 109 119.759  -3.315  13.058
  841   1HG2  VAL 109          1HG2      VAL 109 120.012  -0.118  14.151
  842   2HG2  VAL 109          2HG2      VAL 109 118.921  -1.388  14.707
  843   3HG2  VAL 109          3HG2      VAL 109 118.270   0.070  13.957
  844    H    ASP 110           H        ASP 110 121.862  -1.289  11.053
  845    HA   ASP 110           HA       ASP 110 123.505   0.300  12.796
  846   1HB   ASP 110          2HB       ASP 110 123.902  -1.560  10.463
  847   2HB   ASP 110          1HB       ASP 110 125.284  -0.687  11.126
  848    H    LEU 111           H        LEU 111 122.904   0.471   9.272
  849    HA   LEU 111           HA       LEU 111 124.632   2.662   8.694
  850   1HB   LEU 111          2HB       LEU 111 123.230   0.980   7.230
  851   2HB   LEU 111          1HB       LEU 111 121.990   2.231   7.324
  852    HG   LEU 111           HG       LEU 111 124.818   2.918   6.538
  853   1HD1  LEU 111          1HD1      LEU 111 122.620   1.726   4.856
  854   2HD1  LEU 111          2HD1      LEU 111 124.331   1.306   4.892
  855   3HD1  LEU 111          3HD1      LEU 111 123.810   2.815   4.144
  856   1HD2  LEU 111          1HD2      LEU 111 123.236   4.592   5.178
  857   2HD2  LEU 111          2HD2      LEU 111 123.676   4.902   6.858
  858   3HD2  LEU 111          3HD2      LEU 111 122.111   4.184   6.474
  859    H    ALA 112           H        ALA 112 121.415   2.544  10.102
  860    HA   ALA 112           HA       ALA 112 120.650   5.280   9.675
  861   1HB   ALA 112          1HB       ALA 112 119.972   3.337  11.909
  862   2HB   ALA 112          2HB       ALA 112 119.158   3.411  10.346
  863   3HB   ALA 112          3HB       ALA 112 119.036   4.765  11.469
  864    H    GLU 113           H        GLU 113 121.753   3.786  12.744
  865    HA   GLU 113           HA       GLU 113 122.239   6.147  14.170
  866   1HB   GLU 113          2HB       GLU 113 123.390   3.366  14.194
  867   2HB   GLU 113          1HB       GLU 113 123.960   4.576  15.344
  868   1HG   GLU 113          2HG       GLU 113 121.134   4.749  15.353
  869   2HG   GLU 113          1HG       GLU 113 121.524   3.031  15.413
  870    H    GLU 114           H        GLU 114 124.135   4.697  11.614
  871    HA   GLU 114           HA       GLU 114 126.661   5.955  12.198
  872   1HB   GLU 114          2HB       GLU 114 125.381   4.907   9.654
  873   2HB   GLU 114          1HB       GLU 114 127.082   5.355   9.789
  874   1HG   GLU 114          2HG       GLU 114 126.038   3.500  11.865
  875   2HG   GLU 114          1HG       GLU 114 126.202   2.844  10.236
  876    H    GLN 115           H        GLN 115 123.892   6.911  10.155
  877    HA   GLN 115           HA       GLN 115 125.244   9.433   9.403
  878   1HB   GLN 115          2HB       GLN 115 122.918   7.794   8.572
  879   2HB   GLN 115          1HB       GLN 115 122.733   9.534   8.356
  880   1HG   GLN 115          2HG       GLN 115 123.742   8.916   6.342
  881   2HG   GLN 115          1HG       GLN 115 125.138   9.385   7.313
  882   1HE2  GLN 115          1HE2      GLN 115 124.504   7.152   5.123
  883   2HE2  GLN 115          2HE2      GLN 115 125.261   5.786   5.786
  884    H    GLY 116           H        GLY 116 123.687   8.488  12.138
  885   1HA   GLY 116          2HA       GLY 116 122.989   9.904  13.918
  886   2HA   GLY 116          1HA       GLY 116 122.916  11.254  12.785
  887    H    HIS 117           H        HIS 117 121.345   8.102  12.368
  888    HA   HIS 117           HA       HIS 117 118.699   9.524  12.415
  889   1HB   HIS 117          2HB       HIS 117 119.608   7.004  10.981
  890   2HB   HIS 117          1HB       HIS 117 118.013   7.734  10.855
  891    HD1  HIS 117           HD1      HIS 117 118.974  10.725  10.732
  892    HD2  HIS 117           HD2      HIS 117 120.496   7.635   8.385
  893    HE1  HIS 117           HE1      HIS 117 119.972  11.814   8.675
  894    H    ARG 118           H        ARG 118 119.515   8.865  14.899
  895    HA   ARG 118           HA       ARG 118 119.196   6.265  15.909
  896   1HB   ARG 118          2HB       ARG 118 118.954   9.054  16.843
  897   2HB   ARG 118          1HB       ARG 118 118.057   7.890  17.819
  898   1HG   ARG 118          2HG       ARG 118 120.161   7.825  18.831
  899   2HG   ARG 118          1HG       ARG 118 120.273   6.487  17.686
  900   1HD   ARG 118          2HD       ARG 118 122.138   7.513  16.882
  901   2HD   ARG 118          1HD       ARG 118 121.048   8.731  16.192
  902    HE   ARG 118           HE       ARG 118 121.516   9.242  19.000
  903   1HH1  ARG 118          2HH1      ARG 118 123.842   8.834  16.663
  904   2HH1  ARG 118          1HH1      ARG 118 124.428  10.463  16.686
  905   1HH2  ARG 118          1HH2      ARG 118 121.856  11.643  18.690
  906   2HH2  ARG 118          2HH2      ARG 118 123.305  12.053  17.833
  907    H    ASP 119           H        ASP 119 116.748   8.561  14.838
  908    HA   ASP 119           HA       ASP 119 114.433   7.330  15.979
  909   1HB   ASP 119          2HB       ASP 119 114.881   9.590  14.689
  910   2HB   ASP 119          1HB       ASP 119 114.461   8.632  13.267
  911    H    ILE 120           H        ILE 120 116.151   6.776  12.904
  912    HA   ILE 120           HA       ILE 120 114.268   4.756  11.961
  913    HB   ILE 120           HB       ILE 120 117.142   5.073  11.085
  914   1HG1  ILE 120          2HG1      ILE 120 115.911   7.353  11.290
  915   2HG1  ILE 120          1HG1      ILE 120 116.649   6.960   9.743
  916   1HG2  ILE 120          1HG2      ILE 120 116.319   3.451   9.725
  917   2HG2  ILE 120          2HG2      ILE 120 115.594   4.803   8.856
  918   3HG2  ILE 120          3HG2      ILE 120 114.644   3.902  10.036
  919   1HD1  ILE 120          1HD1      ILE 120 113.865   6.028  10.058
  920   2HD1  ILE 120          2HD1      ILE 120 114.649   6.802   8.681
  921   3HD1  ILE 120          3HD1      ILE 120 114.067   7.781  10.028
  922    H    ALA 121           H        ALA 121 117.375   4.766  13.659
  923    HA   ALA 121           HA       ALA 121 117.936   1.968  13.520
  924   1HB   ALA 121          1HB       ALA 121 118.742   3.451  15.946
  925   2HB   ALA 121          2HB       ALA 121 119.153   4.241  14.423
  926   3HB   ALA 121          3HB       ALA 121 119.738   2.611  14.758
  927    H    ARG 122           H        ARG 122 116.620   3.801  16.335
  928    HA   ARG 122           HA       ARG 122 116.015   1.570  17.946
  929   1HB   ARG 122          2HB       ARG 122 114.567   3.113  19.136
  930   2HB   ARG 122          1HB       ARG 122 115.967   4.011  18.552
  931   1HG   ARG 122          2HG       ARG 122 114.618   4.734  16.573
  932   2HG   ARG 122          1HG       ARG 122 113.215   3.933  17.281
  933   1HD   ARG 122          2HD       ARG 122 114.796   6.180  18.587
  934   2HD   ARG 122          1HD       ARG 122 113.184   6.332  17.860
  935    HE   ARG 122           HE       ARG 122 112.757   4.288  19.584
  936   1HH1  ARG 122          1HH2      ARG 122 115.303   6.211  20.474
  937   2HH1  ARG 122          2HH2      ARG 122 114.592   6.820  21.930
  938   1HH2  ARG 122          2HH1      ARG 122 111.447   5.527  21.252
  939   2HH2  ARG 122          1HH1      ARG 122 112.408   6.433  22.371
  940    H    TYR 123           H        TYR 123 114.011   3.102  15.418
  941    HA   TYR 123           HA       TYR 123 111.711   1.395  15.817
  942   1HB   TYR 123          2HB       TYR 123 111.859   3.644  14.632
  943   2HB   TYR 123          1HB       TYR 123 112.629   2.796  13.288
  944    HD1  TYR 123           HD1      TYR 123 111.371   0.688  12.378
  945    HD2  TYR 123           HD2      TYR 123 109.522   3.776  14.721
  946    HE1  TYR 123           HE1      TYR 123 109.144  -0.010  11.540
  947    HE2  TYR 123           HE2      TYR 123 107.295   3.080  13.884
  948    HH   TYR 123           HH       TYR 123 106.406   1.871  11.814
  949    H    LEU 124           H        LEU 124 114.522   1.289  13.627
  950    HA   LEU 124           HA       LEU 124 113.749  -1.087  12.199
  951   1HB   LEU 124          2HB       LEU 124 116.286   0.443  12.735
  952   2HB   LEU 124          1HB       LEU 124 116.354  -1.088  11.864
  953    HG   LEU 124           HG       LEU 124 114.619   1.272  11.087
  954   1HD1  LEU 124          1HD1      LEU 124 116.935   1.827  10.691
  955   2HD1  LEU 124          2HD1      LEU 124 116.225   1.381   9.139
  956   3HD1  LEU 124          3HD1      LEU 124 117.251   0.235  10.003
  957   1HD2  LEU 124          1HD2      LEU 124 113.550  -0.666  10.265
  958   2HD2  LEU 124          2HD2      LEU 124 115.081  -1.484   9.950
  959   3HD2  LEU 124          3HD2      LEU 124 114.561  -0.155   8.912
  960    H    HIS 125           H        HIS 125 115.931  -0.572  14.990
  961    HA   HIS 125           HA       HIS 125 116.806  -3.190  15.457
  962   1HB   HIS 125          2HB       HIS 125 117.476  -1.111  16.659
  963   2HB   HIS 125          1HB       HIS 125 115.921  -1.119  17.492
  964    HD1  HIS 125           HD1      HIS 125 116.361  -1.897  19.824
  965    HD2  HIS 125           HD2      HIS 125 118.488  -4.143  17.029
  966    HE1  HIS 125           HE1      HIS 125 117.535  -3.730  21.120
  967    H    ALA 126           H        ALA 126 113.652  -1.760  16.169
  968    HA   ALA 126           HA       ALA 126 112.704  -4.021  17.760
  969   1HB   ALA 126          1HB       ALA 126 111.906  -1.707  18.040
  970   2HB   ALA 126          2HB       ALA 126 110.566  -2.763  17.592
  971   3HB   ALA 126          3HB       ALA 126 111.300  -1.707  16.385
  972    H    ALA 127           H        ALA 127 112.692  -3.121  14.359
  973    HA   ALA 127           HA       ALA 127 110.831  -5.366  13.716
  974   1HB   ALA 127          1HB       ALA 127 111.914  -3.516  11.648
  975   2HB   ALA 127          2HB       ALA 127 110.888  -2.797  12.890
  976   3HB   ALA 127          3HB       ALA 127 110.266  -4.099  11.878
  977    H    THR 128           H        THR 128 114.182  -4.641  13.784
  978    HA   THR 128           HA       THR 128 114.898  -6.446  11.553
  979    HB   THR 128           HB       THR 128 117.195  -5.735  12.217
  980    HG1  THR 128           HG1      THR 128 117.489  -4.533  13.989
  981   1HG2  THR 128          1HG2      THR 128 116.455  -3.114  12.159
  982   2HG2  THR 128          2HG2      THR 128 114.986  -3.883  11.561
  983   3HG2  THR 128          3HG2      THR 128 116.520  -4.147  10.733
  984    H    GLY 129           H        GLY 129 114.787  -6.451  15.079
  985   1HA   GLY 129          2HA       GLY 129 116.458  -8.644  15.655
  986   2HA   GLY 129          1HA       GLY 129 115.043  -8.207  16.612
  987    H    ASP 130           HN       ASP 130 113.157  -9.419  16.367
  988    HA   ASP 130           HA       ASP 130 112.901 -11.328  14.167
  989   1HB   ASP 130          2HB       ASP 130 113.321 -12.087  17.064
  990   2HB   ASP 130          1HB       ASP 130 112.697 -13.214  15.862
  Start of MODEL    7
    1   1H    GLY  -5          1H        GLY  -5  96.514   2.743 -35.940
    2   2H    GLY  -5          2H        GLY  -5  95.164   1.908 -36.548
    3   3H    GLY  -5          3H        GLY  -5  95.924   3.103 -37.488
    4   1HA   GLY  -5          2HA       GLY  -5  96.515   0.886 -38.259
    5   2HA   GLY  -5          1HA       GLY  -5  97.919   1.764 -37.649
    6    H    SER  -4           H        SER  -4  98.944  -0.307 -37.205
    7    HA   SER  -4           HA       SER  -4  97.737  -2.174 -35.311
    8   1HB   SER  -4          2HB       SER  -4  99.210  -3.080 -36.930
    9   2HB   SER  -4          1HB       SER  -4 100.405  -1.812 -36.677
   10    HG   SER  -4           HG       SER  -4 101.207  -2.925 -35.083
   11    HA   PRO  -3           HA       PRO  -3  99.101   0.019 -31.702
   12   1HB   PRO  -3          2HB       PRO  -3  98.757  -1.984 -29.872
   13   2HB   PRO  -3          1HB       PRO  -3  97.402  -1.069 -30.564
   14   1HG   PRO  -3          2HG       PRO  -3  98.414  -3.777 -31.273
   15   2HG   PRO  -3          1HG       PRO  -3  96.748  -3.186 -31.169
   16   1HD   PRO  -3          2HD       PRO  -3  98.087  -3.506 -33.524
   17   2HD   PRO  -3          1HD       PRO  -3  96.785  -2.319 -33.286
   18    H    GLY  -2           H        GLY  -2 100.352  -3.228 -32.443
   19   1HA   GLY  -2          2HA       GLY  -2 102.884  -3.282 -32.688
   20   2HA   GLY  -2          1HA       GLY  -2 102.928  -2.449 -31.133
   21    H    ILE  -1           H        ILE  -1 103.230  -5.437 -32.517
   22    HA   ILE  -1           HA       ILE  -1 101.816  -7.166 -30.718
   23    HB   ILE  -1           HB       ILE  -1 103.395  -8.849 -31.620
   24   1HG1  ILE  -1          2HG1      ILE  -1 104.900  -7.309 -33.458
   25   2HG1  ILE  -1          1HG1      ILE  -1 105.061  -6.493 -31.903
   26   1HG2  ILE  -1          1HG2      ILE  -1 102.800  -8.604 -33.940
   27   2HG2  ILE  -1          2HG2      ILE  -1 102.638  -6.856 -33.770
   28   3HG2  ILE  -1          3HG2      ILE  -1 101.476  -7.929 -32.990
   29   1HD1  ILE  -1          1HD1      ILE  -1 106.272  -8.969 -32.783
   30   2HD1  ILE  -1          2HD1      ILE  -1 105.289  -9.256 -31.347
   31   3HD1  ILE  -1          3HD1      ILE  -1 106.575  -8.051 -31.308
   32    H    HIS   0           H        HIS   0 104.068  -8.814 -29.834
   33    HA   HIS   0           HA       HIS   0 104.485  -7.900 -27.217
   34   1HB   HIS   0          2HB       HIS   0 106.156  -9.644 -29.047
   35   2HB   HIS   0          1HB       HIS   0 106.437  -9.515 -27.311
   36    HD1  HIS   0           HD1      HIS   0 104.383 -11.257 -29.790
   37    HD2  HIS   0           HD2      HIS   0 104.078 -10.372 -25.727
   38    HE1  HIS   0           HE1      HIS   0 102.585 -12.779 -28.858
   39    H    MET   1           H        MET   1 107.232  -8.042 -29.482
   40    HA   MET   1           HA       MET   1 109.239  -6.756 -29.390
   41   1HB   MET   1          2HB       MET   1 108.631  -4.444 -30.258
   42   2HB   MET   1          1HB       MET   1 107.958  -5.794 -31.167
   43   1HG   MET   1          2HG       MET   1 105.798  -5.499 -30.195
   44   2HG   MET   1          1HG       MET   1 106.423  -4.411 -28.957
   45   1HE   MET   1          1HE       MET   1 105.985  -4.968 -32.787
   46   2HE   MET   1          2HE       MET   1 107.659  -4.442 -32.619
   47   3HE   MET   1          3HE       MET   1 106.500  -3.410 -33.452
   48    H    LEU   2           H        LEU   2 109.835  -6.883 -27.138
   49    HA   LEU   2           HA       LEU   2 108.800  -5.199 -25.069
   50   1HB   LEU   2          2HB       LEU   2 111.313  -6.769 -25.592
   51   2HB   LEU   2          1HB       LEU   2 111.223  -5.742 -24.164
   52    HG   LEU   2           HG       LEU   2 110.510  -8.036 -23.625
   53   1HD1  LEU   2          1HD1      LEU   2 107.984  -6.400 -23.681
   54   2HD1  LEU   2          2HD1      LEU   2 109.353  -5.884 -22.695
   55   3HD1  LEU   2          3HD1      LEU   2 108.596  -7.450 -22.404
   56   1HD2  LEU   2          1HD2      LEU   2 108.609  -9.065 -24.687
   57   2HD2  LEU   2          2HD2      LEU   2 109.683  -8.519 -25.975
   58   3HD2  LEU   2          3HD2      LEU   2 108.237  -7.590 -25.579
   59    H    GLY   3           H        GLY   3 108.719  -2.982 -25.628
   60   1HA   GLY   3          2HA       GLY   3 111.326  -1.604 -25.701
   61   2HA   GLY   3          1HA       GLY   3 110.303  -1.370 -27.117
   62    H    GLY   4           H        GLY   4 111.164   0.577 -25.011
   63   1HA   GLY   4          2HA       GLY   4 110.193   2.397 -23.889
   64   2HA   GLY   4          1HA       GLY   4 108.709   2.021 -24.767
   65    H    SER   5           H        SER   5 108.735   2.852 -22.028
   66    HA   SER   5           HA       SER   5 107.149   0.702 -20.869
   67   1HB   SER   5          2HB       SER   5 108.767   0.443 -18.911
   68   2HB   SER   5          1HB       SER   5 109.304  -0.255 -20.436
   69    HG   SER   5           HG       SER   5 109.958   2.359 -19.539
   70    H    SER   6           H        SER   6 105.538   2.090 -20.195
   71    HA   SER   6           HA       SER   6 106.125   4.731 -19.073
   72   1HB   SER   6          2HB       SER   6 103.440   3.612 -18.672
   73   2HB   SER   6          1HB       SER   6 103.927   5.055 -19.553
   74    HG   SER   6           HG       SER   6 103.533   2.455 -20.430
   75    H    ASP   7           H        ASP   7 105.452   1.504 -17.852
   76    HA   ASP   7           HA       ASP   7 104.638   2.118 -15.197
   77   1HB   ASP   7          2HB       ASP   7 106.326  -0.168 -16.275
   78   2HB   ASP   7          1HB       ASP   7 105.441  -0.183 -14.748
   79    H    ALA   8           H        ALA   8 107.874   1.892 -16.645
   80    HA   ALA   8           HA       ALA   8 109.423   2.047 -14.251
   81   1HB   ALA   8          1HB       ALA   8 110.047   3.210 -16.982
   82   2HB   ALA   8          2HB       ALA   8 110.144   1.488 -16.613
   83   3HB   ALA   8          3HB       ALA   8 111.205   2.629 -15.786
   84    H    GLY   9           H        GLY   9 107.509   4.430 -15.899
   85   1HA   GLY   9          2HA       GLY   9 108.819   6.832 -15.172
   86   2HA   GLY   9          1HA       GLY   9 107.079   6.680 -15.407
   87    H    LEU  10           H        LEU  10 106.973   4.571 -13.252
   88    HA   LEU  10           HA       LEU  10 106.300   6.263 -11.040
   89   1HB   LEU  10          2HB       LEU  10 106.920   3.297 -11.241
   90   2HB   LEU  10          1HB       LEU  10 106.122   4.061  -9.866
   91    HG   LEU  10           HG       LEU  10 105.075   4.254 -12.700
   92   1HD1  LEU  10          1HD1      LEU  10 103.309   2.636 -11.443
   93   2HD1  LEU  10          2HD1      LEU  10 104.793   2.133 -10.635
   94   3HD1  LEU  10          3HD1      LEU  10 104.663   2.019 -12.390
   95   1HD2  LEU  10          1HD2      LEU  10 103.878   4.817  -9.968
   96   2HD2  LEU  10          2HD2      LEU  10 102.985   4.891 -11.488
   97   3HD2  LEU  10          3HD2      LEU  10 104.309   6.015 -11.186
   98    H    ALA  11           H        ALA  11 109.219   4.374 -11.802
   99    HA   ALA  11           HA       ALA  11 110.518   4.951  -9.248
  100   1HB   ALA  11          1HB       ALA  11 112.453   3.888 -10.443
  101   2HB   ALA  11          2HB       ALA  11 111.485   3.876 -11.918
  102   3HB   ALA  11          3HB       ALA  11 110.980   2.920 -10.524
  103    H    THR  12           H        THR  12 110.999   6.065 -12.620
  104    HA   THR  12           HA       THR  12 113.094   7.912 -12.157
  105    HB   THR  12           HB       THR  12 112.268   8.933 -14.264
  106    HG1  THR  12           HG1      THR  12 110.023   7.295 -13.723
  107   1HG2  THR  12          1HG2      THR  12 113.483   6.719 -14.236
  108   2HG2  THR  12          2HG2      THR  12 112.454   6.973 -15.645
  109   3HG2  THR  12          3HG2      THR  12 111.910   5.929 -14.333
  110    H    ALA  13           H        ALA  13 109.574   8.617 -12.319
  111    HA   ALA  13           HA       ALA  13 109.764  11.346 -11.496
  112   1HB   ALA  13          1HB       ALA  13 107.764  10.597 -12.523
  113   2HB   ALA  13          2HB       ALA  13 107.302  10.831 -10.838
  114   3HB   ALA  13          3HB       ALA  13 107.632   9.208 -11.444
  115    H    ALA  14           H        ALA  14 109.544   8.329  -9.661
  116    HA   ALA  14           HA       ALA  14 109.082   9.582  -7.080
  117   1HB   ALA  14          1HB       ALA  14 109.696   7.255  -6.308
  118   2HB   ALA  14          2HB       ALA  14 110.090   6.866  -7.981
  119   3HB   ALA  14          3HB       ALA  14 108.435   7.287  -7.540
  120    H    ALA  15           H        ALA  15 111.965   8.281  -8.741
  121    HA   ALA  15           HA       ALA  15 113.850   8.723  -6.644
  122   1HB   ALA  15          1HB       ALA  15 114.490   9.031  -9.570
  123   2HB   ALA  15          2HB       ALA  15 113.940   7.473  -8.952
  124   3HB   ALA  15          3HB       ALA  15 115.415   8.203  -8.316
  125    H    ARG  16           H        ARG  16 112.436  10.894  -9.019
  126    HA   ARG  16           HA       ARG  16 114.355  13.049  -8.707
  127   1HB   ARG  16          2HB       ARG  16 112.874  12.700 -10.665
  128   2HB   ARG  16          1HB       ARG  16 111.466  13.000  -9.644
  129   1HG   ARG  16          2HG       ARG  16 112.387  15.267  -9.122
  130   2HG   ARG  16          1HG       ARG  16 113.690  14.962 -10.272
  131   1HD   ARG  16          2HD       ARG  16 111.916  14.545 -12.037
  132   2HD   ARG  16          1HD       ARG  16 110.721  15.143 -10.868
  133    HE   ARG  16           HE       ARG  16 113.062  16.885 -11.254
  134   1HH1  ARG  16          1HH2      ARG  16 109.901  17.116 -10.611
  135   2HH1  ARG  16          2HH2      ARG  16 109.482  18.224 -11.875
  136   1HH2  ARG  16          2HH1      ARG  16 112.499  17.872 -13.545
  137   2HH2  ARG  16          1HH1      ARG  16 110.953  18.652 -13.536
  138    H    GLY  17           H        GLY  17 111.445  12.048  -7.003
  139   1HA   GLY  17          2HA       GLY  17 111.160  12.768  -4.661
  140   2HA   GLY  17          1HA       GLY  17 111.850  14.328  -5.115
  141    H    GLN  18           H        GLN  18 109.532  12.707  -7.180
  142    HA   GLN  18           HA       GLN  18 107.597  14.920  -6.627
  143   1HB   GLN  18          2HB       GLN  18 108.559  13.414  -8.966
  144   2HB   GLN  18          1HB       GLN  18 106.808  13.617  -8.933
  145   1HG   GLN  18          2HG       GLN  18 108.843  15.852  -8.661
  146   2HG   GLN  18          1HG       GLN  18 107.899  15.499 -10.108
  147   1HE2  GLN  18          1HE2      GLN  18 105.368  14.935  -8.878
  148   2HE2  GLN  18          2HE2      GLN  18 104.792  16.361  -8.164
  149    H    VAL  19           H        VAL  19 105.465  14.426  -6.064
  150    HA   VAL  19           HA       VAL  19 104.896  11.550  -5.438
  151    HB   VAL  19           HB       VAL  19 103.823  14.171  -4.333
  152   1HG1  VAL  19          1HG1      VAL  19 102.226  12.146  -4.385
  153   2HG1  VAL  19          2HG1      VAL  19 102.498  12.912  -2.821
  154   3HG1  VAL  19          3HG1      VAL  19 103.327  11.406  -3.223
  155   1HG2  VAL  19          1HG2      VAL  19 105.081  13.608  -2.349
  156   2HG2  VAL  19          2HG2      VAL  19 106.177  13.505  -3.725
  157   3HG2  VAL  19          3HG2      VAL  19 105.517  12.033  -3.016
  158    H    GLU  20           H        GLU  20 103.195  14.545  -6.440
  159    HA   GLU  20           HA       GLU  20 100.777  13.388  -7.318
  160   1HB   GLU  20          2HB       GLU  20 101.681  15.854  -7.083
  161   2HB   GLU  20          1HB       GLU  20 102.097  15.655  -8.786
  162   1HG   GLU  20          2HG       GLU  20  99.873  16.615  -8.654
  163   2HG   GLU  20          1HG       GLU  20  99.726  14.949  -9.217
  164    H    THR  21           H        THR  21 103.901  13.615  -8.961
  165    HA   THR  21           HA       THR  21 103.062  12.939 -11.605
  166    HB   THR  21           HB       THR  21 105.659  12.109 -10.298
  167    HG1  THR  21           HG1      THR  21 104.910  14.693 -11.197
  168   1HG2  THR  21          1HG2      THR  21 105.473  11.483 -12.613
  169   2HG2  THR  21          2HG2      THR  21 106.524  12.897 -12.541
  170   3HG2  THR  21          3HG2      THR  21 104.844  13.072 -13.048
  171    H    VAL  22           H        VAL  22 104.601  10.768  -9.192
  172    HA   VAL  22           HA       VAL  22 104.038   8.338 -10.581
  173    HB   VAL  22           HB       VAL  22 104.379   8.892  -7.613
  174   1HG1  VAL  22          1HG1      VAL  22 104.879   6.615  -7.341
  175   2HG1  VAL  22          2HG1      VAL  22 105.191   6.379  -9.060
  176   3HG1  VAL  22          3HG1      VAL  22 103.536   6.572  -8.483
  177   1HG2  VAL  22          1HG2      VAL  22 106.296   8.610  -9.918
  178   2HG2  VAL  22          2HG2      VAL  22 106.792   8.122  -8.298
  179   3HG2  VAL  22          3HG2      VAL  22 106.304   9.789  -8.606
  180    H    ARG  23           H        ARG  23 102.080  10.311  -8.433
  181    HA   ARG  23           HA       ARG  23 100.091   8.344  -7.753
  182   1HB   ARG  23          2HB       ARG  23 100.716  11.020  -7.198
  183   2HB   ARG  23          1HB       ARG  23  99.143  11.098  -7.988
  184   1HG   ARG  23          2HG       ARG  23  98.181  10.453  -6.060
  185   2HG   ARG  23          1HG       ARG  23  99.024   8.910  -6.188
  186   1HD   ARG  23          2HD       ARG  23 100.650   9.522  -4.671
  187   2HD   ARG  23          1HD       ARG  23 100.613  11.225  -5.166
  188    HE   ARG  23           HE       ARG  23  98.277  11.231  -4.030
  189   1HH1  ARG  23          1HH2      ARG  23 101.216  10.450  -2.679
  190   2HH1  ARG  23          2HH2      ARG  23 100.579   9.723  -1.242
  191   1HH2  ARG  23          2HH1      ARG  23  97.299   9.747  -2.364
  192   2HH2  ARG  23          1HH1      ARG  23  98.362   9.324  -1.064
  193    H    GLN  24           H        GLN  24 100.287  10.772 -10.362
  194    HA   GLN  24           HA       GLN  24  97.724  10.272 -11.529
  195   1HB   GLN  24          2HB       GLN  24  99.551  12.130 -11.854
  196   2HB   GLN  24          1HB       GLN  24 100.175  11.045 -13.098
  197   1HG   GLN  24          2HG       GLN  24  97.278  11.914 -12.989
  198   2HG   GLN  24          1HG       GLN  24  98.503  12.789 -13.908
  199   1HE2  GLN  24          1HE2      GLN  24  96.279  10.210 -14.087
  200   2HE2  GLN  24          2HE2      GLN  24  96.890   9.464 -15.484
  201    H    LEU  25           H        LEU  25 100.909   8.781 -12.099
  202    HA   LEU  25           HA       LEU  25 100.090   7.177 -14.358
  203   1HB   LEU  25          2HB       LEU  25 102.381   7.444 -12.483
  204   2HB   LEU  25          1HB       LEU  25 102.231   5.888 -13.302
  205    HG   LEU  25           HG       LEU  25 102.065   8.498 -14.812
  206   1HD1  LEU  25          1HD1      LEU  25 104.494   6.875 -14.034
  207   2HD1  LEU  25          2HD1      LEU  25 104.224   8.602 -13.805
  208   3HD1  LEU  25          3HD1      LEU  25 104.491   7.960 -15.424
  209   1HD2  LEU  25          1HD2      LEU  25 101.238   6.607 -16.044
  210   2HD2  LEU  25          2HD2      LEU  25 102.595   5.603 -15.530
  211   3HD2  LEU  25          3HD2      LEU  25 102.859   6.936 -16.656
  212    H    LEU  26           H        LEU  26 100.423   6.461 -10.866
  213    HA   LEU  26           HA       LEU  26  99.671   3.695 -11.048
  214   1HB   LEU  26          2HB       LEU  26  99.878   5.819  -8.948
  215   2HB   LEU  26          1HB       LEU  26  99.057   4.313  -8.532
  216    HG   LEU  26           HG       LEU  26 101.789   4.371  -9.829
  217   1HD1  LEU  26          1HD1      LEU  26 101.961   5.537  -7.691
  218   2HD1  LEU  26          2HD1      LEU  26 102.672   3.932  -7.539
  219   3HD1  LEU  26          3HD1      LEU  26 101.065   4.249  -6.887
  220   1HD2  LEU  26          1HD2      LEU  26  99.950   2.319  -8.674
  221   2HD2  LEU  26          2HD2      LEU  26 101.682   2.084  -8.442
  222   3HD2  LEU  26          3HD2      LEU  26 101.019   2.205 -10.072
  223    H    GLU  27           H        GLU  27  97.731   6.502  -9.909
  224    HA   GLU  27           HA       GLU  27  95.249   5.192  -9.650
  225   1HB   GLU  27          2HB       GLU  27  96.309   7.909  -9.936
  226   2HB   GLU  27          1HB       GLU  27  94.676   7.754 -10.584
  227   1HG   GLU  27          2HG       GLU  27  94.228   8.211  -8.344
  228   2HG   GLU  27          1HG       GLU  27  94.229   6.446  -8.338
  229    H    ALA  28           H        ALA  28  96.953   6.190 -12.544
  230    HA   ALA  28           HA       ALA  28  94.641   6.018 -14.324
  231   1HB   ALA  28          1HB       ALA  28  97.645   6.205 -14.640
  232   2HB   ALA  28          2HB       ALA  28  96.445   7.466 -14.924
  233   3HB   ALA  28          3HB       ALA  28  96.566   6.098 -16.031
  234    H    GLY  29           H        GLY  29  97.669   4.104 -14.353
  235   1HA   GLY  29          2HA       GLY  29  96.528   1.561 -14.054
  236   2HA   GLY  29          1HA       GLY  29  96.529   1.931 -15.775
  237    H    ALA  30           H        ALA  30  98.904   2.706 -13.225
  238    HA   ALA  30           HA       ALA  30 101.095   1.842 -14.998
  239   1HB   ALA  30          1HB       ALA  30 102.473   2.833 -13.250
  240   2HB   ALA  30          2HB       ALA  30 101.107   2.848 -12.135
  241   3HB   ALA  30          3HB       ALA  30 101.101   3.901 -13.550
  242    H    ASP  31           H        ASP  31 102.845   0.408 -13.960
  243    HA   ASP  31           HA       ASP  31 101.553  -2.018 -12.874
  244   1HB   ASP  31          2HB       ASP  31 103.299  -1.795 -14.782
  245   2HB   ASP  31          1HB       ASP  31 104.477  -1.596 -13.485
  246    HA   PRO  32           HA       PRO  32 102.822  -0.749  -8.776
  247   1HB   PRO  32          2HB       PRO  32 101.920  -2.972  -7.463
  248   2HB   PRO  32          1HB       PRO  32 100.847  -1.667  -8.002
  249   1HG   PRO  32          2HG       PRO  32 101.362  -4.324  -9.232
  250   2HG   PRO  32          1HG       PRO  32  99.851  -3.411  -9.105
  251   1HD   PRO  32          2HD       PRO  32 101.358  -3.546 -11.380
  252   2HD   PRO  32          1HD       PRO  32 100.281  -2.188 -10.986
  253    H    ASN  33           H        ASN  33 103.814  -3.581 -10.520
  254    HA   ASN  33           HA       ASN  33 106.155  -3.888  -8.667
  255   1HB   ASN  33          2HB       ASN  33 104.121  -5.750  -9.618
  256   2HB   ASN  33          1HB       ASN  33 105.744  -6.311 -10.023
  257   1HD2  ASN  33          1HD2      ASN  33 104.470  -4.513  -7.161
  258   2HD2  ASN  33          2HD2      ASN  33 105.070  -5.616  -6.019
  259    H    ALA  34           H        ALA  34 106.075  -2.155 -10.976
  260    HA   ALA  34           HA       ALA  34 107.213  -3.456 -13.304
  261   1HB   ALA  34          1HB       ALA  34 106.903  -1.373 -14.161
  262   2HB   ALA  34          2HB       ALA  34 107.839  -0.619 -12.871
  263   3HB   ALA  34          3HB       ALA  34 106.134  -0.994 -12.620
  264    H    LEU  35           H        LEU  35 109.180  -4.485 -13.097
  265    HA   LEU  35           HA       LEU  35 111.217  -3.677 -11.194
  266   1HB   LEU  35          2HB       LEU  35 110.676  -5.980 -12.235
  267   2HB   LEU  35          1HB       LEU  35 111.553  -5.411 -13.653
  268    HG   LEU  35           HG       LEU  35 112.964  -6.744 -12.058
  269   1HD1  LEU  35          1HD1      LEU  35 114.057  -3.966 -11.999
  270   2HD1  LEU  35          2HD1      LEU  35 113.683  -4.672 -13.571
  271   3HD1  LEU  35          3HD1      LEU  35 114.833  -5.470 -12.496
  272   1HD2  LEU  35          1HD2      LEU  35 111.767  -5.718 -10.016
  273   2HD2  LEU  35          2HD2      LEU  35 112.823  -4.325 -10.250
  274   3HD2  LEU  35          3HD2      LEU  35 113.517  -5.909  -9.904
  275    H    ASN  36           H        ASN  36 111.930  -1.559 -11.604
  276    HA   ASN  36           HA       ASN  36 112.354  -0.306 -14.095
  277   1HB   ASN  36          2HB       ASN  36 113.908  -0.031 -11.499
  278   2HB   ASN  36          1HB       ASN  36 113.822   1.182 -12.776
  279   1HD2  ASN  36          1HD2      ASN  36 111.302   1.598 -13.416
  280   2HD2  ASN  36          2HD2      ASN  36 110.291   1.868 -12.078
  281    H    ARG  37           H        ARG  37 114.782   0.393 -14.710
  282    HA   ARG  37           HA       ARG  37 116.203  -2.137 -15.339
  283   1HB   ARG  37          2HB       ARG  37 115.706   0.419 -16.565
  284   2HB   ARG  37          1HB       ARG  37 117.448   0.173 -16.454
  285   1HG   ARG  37          2HG       ARG  37 117.356  -1.846 -17.694
  286   2HG   ARG  37          1HG       ARG  37 115.610  -1.991 -17.481
  287   1HD   ARG  37          2HD       ARG  37 116.915   0.280 -19.019
  288   2HD   ARG  37          1HD       ARG  37 116.279  -1.188 -19.784
  289    HE   ARG  37           HE       ARG  37 114.670   0.985 -18.799
  290   1HH1  ARG  37          2HH1      ARG  37 114.626  -2.176 -19.982
  291   2HH1  ARG  37          1HH1      ARG  37 113.031  -2.545 -19.417
  292   1HH2  ARG  37          1HH2      ARG  37 112.703   0.392 -17.605
  293   2HH2  ARG  37          2HH2      ARG  37 111.943  -1.093 -18.074
  294    H    PHE  38           H        PHE  38 116.262  -0.652 -12.621
  295    HA   PHE  38           HA       PHE  38 119.218  -0.181 -12.469
  296   1HB   PHE  38          2HB       PHE  38 116.909   0.709 -10.710
  297   2HB   PHE  38          1HB       PHE  38 118.600   1.132 -10.446
  298    HD1  PHE  38           HD1      PHE  38 115.791   1.421 -12.877
  299    HD2  PHE  38           HD2      PHE  38 119.621   2.915 -11.634
  300    HE1  PHE  38           HE1      PHE  38 115.561   3.321 -14.456
  301    HE2  PHE  38           HE2      PHE  38 119.393   4.814 -13.212
  302    HZ   PHE  38           HZ       PHE  38 117.363   5.018 -14.623
  303    H    GLY  39           H        GLY  39 117.535  -2.791 -12.253
  304   1HA   GLY  39          2HA       GLY  39 117.512  -4.717 -10.925
  305   2HA   GLY  39          1HA       GLY  39 119.098  -4.171 -10.387
  306    H    ARG  40           H        ARG  40 116.275  -2.181  -9.863
  307    HA   ARG  40           HA       ARG  40 116.283  -2.955  -6.965
  308   1HB   ARG  40          2HB       ARG  40 116.684  -0.344  -8.361
  309   2HB   ARG  40          1HB       ARG  40 115.782  -0.321  -6.846
  310   1HG   ARG  40          2HG       ARG  40 117.794  -1.871  -6.040
  311   2HG   ARG  40          1HG       ARG  40 118.643  -1.029  -7.336
  312   1HD   ARG  40          2HD       ARG  40 117.673   1.144  -6.276
  313   2HD   ARG  40          1HD       ARG  40 117.401   0.133  -4.843
  314    HE   ARG  40           HE       ARG  40 120.057  -0.299  -5.877
  315   1HH1  ARG  40          2HH1      ARG  40 118.725   2.662  -5.192
  316   2HH1  ARG  40          1HH1      ARG  40 119.751   3.030  -3.845
  317   1HH2  ARG  40          1HH2      ARG  40 121.121  -0.152  -3.679
  318   2HH2  ARG  40          2HH2      ARG  40 121.109   1.437  -2.990
  319    H    ARG  41           H        ARG  41 114.272  -1.361  -6.063
  320    HA   ARG  41           HA       ARG  41 111.895  -2.341  -7.590
  321   1HB   ARG  41          2HB       ARG  41 111.965  -1.238  -4.773
  322   2HB   ARG  41          1HB       ARG  41 110.809  -2.367  -5.469
  323   1HG   ARG  41          2HG       ARG  41 113.725  -2.948  -4.870
  324   2HG   ARG  41          1HG       ARG  41 112.335  -3.564  -3.977
  325   1HD   ARG  41          2HD       ARG  41 112.136  -5.284  -5.435
  326   2HD   ARG  41          1HD       ARG  41 111.991  -4.146  -6.789
  327    HE   ARG  41           HE       ARG  41 114.687  -4.072  -6.176
  328   1HH1  ARG  41          2HH1      ARG  41 112.470  -6.067  -7.782
  329   2HH1  ARG  41          1HH1      ARG  41 113.601  -7.342  -8.094
  330   1HH2  ARG  41          1HH2      ARG  41 116.130  -5.932  -6.191
  331   2HH2  ARG  41          2HH2      ARG  41 115.670  -7.265  -7.195
  332    HA   PRO  42           HA       PRO  42 110.515   1.742  -8.471
  333   1HB   PRO  42          2HB       PRO  42 107.947   1.900  -7.526
  334   2HB   PRO  42          1HB       PRO  42 108.396   0.970  -8.968
  335   1HG   PRO  42          2HG       PRO  42 107.894   0.026  -6.190
  336   2HG   PRO  42          1HG       PRO  42 107.440  -0.714  -7.734
  337   1HD   PRO  42          2HD       PRO  42 109.549  -1.557  -6.251
  338   2HD   PRO  42          1HD       PRO  42 109.497  -1.694  -8.021
  339    H    ILE  43           H        ILE  43 110.404   0.731  -5.140
  340    HA   ILE  43           HA       ILE  43 110.232   3.569  -4.214
  341    HB   ILE  43           HB       ILE  43 109.938   0.869  -2.861
  342   1HG1  ILE  43          2HG1      ILE  43 108.017   3.162  -3.390
  343   2HG1  ILE  43          1HG1      ILE  43 108.016   1.598  -4.208
  344   1HG2  ILE  43          1HG2      ILE  43 109.345   2.185  -0.824
  345   2HG2  ILE  43          2HG2      ILE  43 109.833   3.657  -1.664
  346   3HG2  ILE  43          3HG2      ILE  43 111.029   2.412  -1.301
  347   1HD1  ILE  43          1HD1      ILE  43 107.406   2.163  -1.297
  348   2HD1  ILE  43          2HD1      ILE  43 107.711   0.538  -1.910
  349   3HD1  ILE  43          3HD1      ILE  43 106.332   1.460  -2.509
  350    H    GLN  44           H        GLN  44 112.353   0.766  -4.387
  351    HA   GLN  44           HA       GLN  44 114.336   1.537  -2.488
  352   1HB   GLN  44          2HB       GLN  44 113.874  -0.500  -4.319
  353   2HB   GLN  44          1HB       GLN  44 115.321   0.282  -4.955
  354   1HG   GLN  44          2HG       GLN  44 116.583  -0.200  -3.061
  355   2HG   GLN  44          1HG       GLN  44 115.164  -0.306  -2.019
  356   1HE2  GLN  44          1HE2      GLN  44 117.286  -2.130  -4.107
  357   2HE2  GLN  44          2HE2      GLN  44 116.509  -3.627  -3.923
  358    H    VAL  45           H        VAL  45 113.514   2.865  -5.592
  359    HA   VAL  45           HA       VAL  45 115.957   4.602  -5.476
  360    HB   VAL  45           HB       VAL  45 116.008   2.881  -7.270
  361   1HG1  VAL  45          1HG1      VAL  45 114.361   2.987  -9.090
  362   2HG1  VAL  45          2HG1      VAL  45 113.515   4.296  -8.267
  363   3HG1  VAL  45          3HG1      VAL  45 113.550   2.684  -7.556
  364   1HG2  VAL  45          1HG2      VAL  45 115.468   5.461  -8.694
  365   2HG2  VAL  45          2HG2      VAL  45 116.817   4.340  -8.882
  366   3HG2  VAL  45          3HG2      VAL  45 116.758   5.422  -7.490
  367    H    MET  46           H        MET  46 113.306   5.145  -4.317
  368    HA   MET  46           HA       MET  46 112.120   7.149  -6.167
  369   1HB   MET  46          2HB       MET  46 110.336   7.195  -4.443
  370   2HB   MET  46          1HB       MET  46 110.674   5.549  -4.975
  371   1HG   MET  46          2HG       MET  46 111.020   4.997  -2.821
  372   2HG   MET  46          1HG       MET  46 112.453   6.022  -2.840
  373   1HE   MET  46          1HE       MET  46 110.335   6.564   0.468
  374   2HE   MET  46          2HE       MET  46 111.400   5.438  -0.368
  375   3HE   MET  46          3HE       MET  46 109.657   5.317  -0.587
  376    H    MET  47           H        MET  47 114.785   7.570  -4.904
  377    HA   MET  47           HA       MET  47 115.939   9.453  -4.064
  378   1HB   MET  47          2HB       MET  47 113.664  10.455  -5.115
  379   2HB   MET  47          1HB       MET  47 113.404  10.877  -3.422
  380   1HG   MET  47          2HG       MET  47 116.064  11.448  -4.696
  381   2HG   MET  47          1HG       MET  47 114.709  12.542  -4.980
  382   1HE   MET  47          1HE       MET  47 113.539  13.873  -3.451
  383   2HE   MET  47          2HE       MET  47 113.796  14.069  -1.720
  384   3HE   MET  47          3HE       MET  47 113.024  12.608  -2.328
  385    H    MET  48           H        MET  48 113.398   7.874  -2.290
  386    HA   MET  48           HA       MET  48 113.066   7.549   0.022
  387   1HB   MET  48          2HB       MET  48 115.934   7.587  -0.643
  388   2HB   MET  48          1HB       MET  48 115.601   7.871   1.066
  389   1HG   MET  48          2HG       MET  48 115.829   5.479   0.702
  390   2HG   MET  48          1HG       MET  48 114.143   5.837   1.069
  391   1HE   MET  48          1HE       MET  48 113.685   3.785   0.537
  392   2HE   MET  48          2HE       MET  48 114.036   2.876  -0.931
  393   3HE   MET  48          3HE       MET  48 112.545   3.806  -0.816
  394    H    GLY  49           H        GLY  49 112.995  10.393  -1.084
  395   1HA   GLY  49          2HA       GLY  49 113.466  11.786   1.522
  396   2HA   GLY  49          1HA       GLY  49 113.805  12.566  -0.024
  397    H    SER  50           H        SER  50 111.034  10.461   0.396
  398    HA   SER  50           HA       SER  50 109.144  12.631   0.931
  399   1HB   SER  50          2HB       SER  50 110.097  12.455  -1.626
  400   2HB   SER  50          1HB       SER  50 108.685  11.407  -1.725
  401    HG   SER  50           HG       SER  50 107.840  13.363  -2.062
  402    H    ALA  51           H        ALA  51 108.132  11.282   2.464
  403    HA   ALA  51           HA       ALA  51 107.590   8.501   2.185
  404   1HB   ALA  51          1HB       ALA  51 107.490   9.896   4.263
  405   2HB   ALA  51          2HB       ALA  51 106.045   8.910   4.040
  406   3HB   ALA  51          3HB       ALA  51 106.005  10.631   3.659
  407    H    GLN  52           H        GLN  52 105.935  11.321   0.923
  408    HA   GLN  52           HA       GLN  52 103.366  10.309   0.348
  409   1HB   GLN  52          2HB       GLN  52 105.156  12.130  -1.244
  410   2HB   GLN  52          1HB       GLN  52 103.414  12.015  -1.432
  411   1HG   GLN  52          2HG       GLN  52 105.011  13.310   0.697
  412   2HG   GLN  52          1HG       GLN  52 103.483  13.809  -0.007
  413   1HE2  GLN  52          1HE2      GLN  52 104.947  11.878   2.549
  414   2HE2  GLN  52          2HE2      GLN  52 103.496  11.471   3.327
  415    H    VAL  53           H        VAL  53 106.434   9.688  -1.259
  416    HA   VAL  53           HA       VAL  53 105.136   8.316  -3.531
  417    HB   VAL  53           HB       VAL  53 108.039   8.640  -2.695
  418   1HG1  VAL  53          1HG1      VAL  53 107.881   6.825  -4.247
  419   2HG1  VAL  53          2HG1      VAL  53 108.381   8.229  -5.190
  420   3HG1  VAL  53          3HG1      VAL  53 106.703   7.687  -5.238
  421   1HG2  VAL  53          1HG2      VAL  53 106.170  10.287  -4.404
  422   2HG2  VAL  53          2HG2      VAL  53 107.918  10.360  -4.628
  423   3HG2  VAL  53          3HG2      VAL  53 107.206  10.827  -3.084
  424    H    ALA  54           H        ALA  54 106.867   7.521  -0.548
  425    HA   ALA  54           HA       ALA  54 107.283   4.726  -1.049
  426   1HB   ALA  54          1HB       ALA  54 107.795   4.674   1.294
  427   2HB   ALA  54          2HB       ALA  54 106.754   6.060   1.620
  428   3HB   ALA  54          3HB       ALA  54 108.266   6.281   0.740
  429    H    GLU  55           H        GLU  55 104.576   6.521   0.422
  430    HA   GLU  55           HA       GLU  55 103.061   4.097   1.050
  431   1HB   GLU  55          2HB       GLU  55 103.127   6.568   2.058
  432   2HB   GLU  55          1HB       GLU  55 101.850   6.828   0.869
  433   1HG   GLU  55          2HG       GLU  55 100.644   4.842   1.797
  434   2HG   GLU  55          1HG       GLU  55 101.878   4.724   3.051
  435    H    LEU  56           H        LEU  56 102.973   6.602  -1.484
  436    HA   LEU  56           HA       LEU  56 100.558   5.934  -2.777
  437   1HB   LEU  56          2HB       LEU  56 101.848   7.878  -3.373
  438   2HB   LEU  56          1HB       LEU  56 103.250   6.895  -3.790
  439    HG   LEU  56           HG       LEU  56 101.988   5.883  -5.656
  440   1HD1  LEU  56          1HD1      LEU  56  99.732   5.966  -4.855
  441   2HD1  LEU  56          2HD1      LEU  56  99.791   7.020  -6.269
  442   3HD1  LEU  56          3HD1      LEU  56  99.802   7.717  -4.648
  443   1HD2  LEU  56          1HD2      LEU  56 101.458   8.711  -6.244
  444   2HD2  LEU  56          2HD2      LEU  56 102.583   7.596  -7.017
  445   3HD2  LEU  56          3HD2      LEU  56 103.052   8.436  -5.539
  446    H    LEU  57           H        LEU  57 103.820   4.726  -3.685
  447    HA   LEU  57           HA       LEU  57 102.822   2.727  -5.499
  448   1HB   LEU  57          2HB       LEU  57 105.417   3.253  -4.047
  449   2HB   LEU  57          1HB       LEU  57 105.234   1.855  -5.106
  450    HG   LEU  57           HG       LEU  57 104.362   4.502  -6.168
  451   1HD1  LEU  57          1HD1      LEU  57 106.567   5.218  -6.710
  452   2HD1  LEU  57          2HD1      LEU  57 107.269   3.680  -6.208
  453   3HD1  LEU  57          3HD1      LEU  57 106.627   4.792  -4.999
  454   1HD2  LEU  57          1HD2      LEU  57 104.261   2.191  -7.326
  455   2HD2  LEU  57          2HD2      LEU  57 106.009   2.342  -7.488
  456   3HD2  LEU  57          3HD2      LEU  57 104.949   3.528  -8.248
  457    H    LEU  58           H        LEU  58 103.409   2.747  -2.023
  458    HA   LEU  58           HA       LEU  58 103.458  -0.099  -1.608
  459   1HB   LEU  58          2HB       LEU  58 104.247   1.578   0.009
  460   2HB   LEU  58          1HB       LEU  58 102.605   2.198   0.182
  461    HG   LEU  58           HG       LEU  58 102.268  -0.506   0.640
  462   1HD1  LEU  58          1HD1      LEU  58 104.125  -1.460   1.486
  463   2HD1  LEU  58          2HD1      LEU  58 104.453  -0.067   2.517
  464   3HD1  LEU  58          3HD1      LEU  58 105.022  -0.081   0.848
  465   1HD2  LEU  58          1HD2      LEU  58 101.326   0.348   2.506
  466   2HD2  LEU  58          2HD2      LEU  58 101.937   1.924   2.009
  467   3HD2  LEU  58          3HD2      LEU  58 102.883   0.917   3.104
  468    H    LEU  59           H        LEU  59 100.785   2.160  -0.771
  469    HA   LEU  59           HA       LEU  59  98.781   0.260  -0.321
  470   1HB   LEU  59          2HB       LEU  59  97.240   2.112  -0.789
  471   2HB   LEU  59          1HB       LEU  59  98.658   2.722   0.062
  472    HG   LEU  59           HG       LEU  59  99.538   3.024  -2.452
  473   1HD1  LEU  59          1HD1      LEU  59  97.287   4.081  -3.514
  474   2HD1  LEU  59          2HD1      LEU  59  96.585   2.739  -2.612
  475   3HD1  LEU  59          3HD1      LEU  59  97.812   2.430  -3.840
  476   1HD2  LEU  59          1HD2      LEU  59  99.400   4.810  -0.777
  477   2HD2  LEU  59          2HD2      LEU  59  97.652   4.898  -0.988
  478   3HD2  LEU  59          3HD2      LEU  59  98.722   5.379  -2.303
  479    H    HIS  60           H        HIS  60 100.100   1.347  -3.394
  480    HA   HIS  60           HA       HIS  60  97.963   0.206  -5.028
  481   1HB   HIS  60          2HB       HIS  60 100.590   1.561  -5.350
  482   2HB   HIS  60          1HB       HIS  60 100.099   0.514  -6.683
  483    HD1  HIS  60           HD1      HIS  60  99.289   3.738  -5.007
  484    HD2  HIS  60           HD2      HIS  60  97.638   1.317  -7.974
  485    HE1  HIS  60           HE1      HIS  60  97.524   5.134  -6.172
  486    H    GLY  61           H        GLY  61 101.430  -0.691  -4.739
  487   1HA   GLY  61          2HA       GLY  61 101.199  -3.351  -4.058
  488   2HA   GLY  61          1HA       GLY  61 100.949  -3.322  -5.798
  489    H    ALA  62           H        ALA  62 103.118  -1.267  -3.873
  490    HA   ALA  62           HA       ALA  62 105.303  -1.467  -5.698
  491   1HB   ALA  62          1HB       ALA  62 104.632  -0.229  -3.208
  492   2HB   ALA  62          2HB       ALA  62 105.941   0.194  -4.310
  493   3HB   ALA  62          3HB       ALA  62 106.215  -0.982  -3.026
  494    H    GLU  63           H        GLU  63 107.559  -2.213  -4.401
  495    HA   GLU  63           HA       GLU  63 107.103  -5.079  -3.627
  496   1HB   GLU  63          2HB       GLU  63 109.198  -3.772  -5.390
  497   2HB   GLU  63          1HB       GLU  63 109.302  -5.445  -4.840
  498   1HG   GLU  63          2HG       GLU  63 107.179  -5.973  -5.930
  499   2HG   GLU  63          1HG       GLU  63 106.985  -4.288  -6.417
  500    HA   PRO  64           HA       PRO  64 109.637  -2.909  -0.419
  501   1HB   PRO  64          2HB       PRO  64 108.026  -3.452   1.720
  502   2HB   PRO  64          1HB       PRO  64 107.807  -2.028   0.684
  503   1HG   PRO  64          2HG       PRO  64 106.260  -4.543   0.787
  504   2HG   PRO  64          1HG       PRO  64 105.739  -2.909   0.357
  505   1HD   PRO  64          2HD       PRO  64 106.296  -4.982  -1.431
  506   2HD   PRO  64          1HD       PRO  64 106.135  -3.263  -1.842
  507    H    ASN  65           H        ASN  65 108.372  -6.068  -0.934
  508    HA   ASN  65           HA       ASN  65 109.845  -7.314   1.303
  509   1HB   ASN  65          2HB       ASN  65 107.951  -8.157  -0.874
  510   2HB   ASN  65          1HB       ASN  65 108.871  -9.380   0.002
  511   1HD2  ASN  65          1HD2      ASN  65 106.128  -7.267   0.181
  512   2HD2  ASN  65          2HD2      ASN  65 105.708  -7.601   1.792
  513    H    CYS  66           H        CYS  66 109.901  -7.492  -2.287
  514    HA   CYS  66           HA       CYS  66 112.133  -9.194  -2.571
  515   1HB   CYS  66          2HB       CYS  66 110.455  -7.593  -4.160
  516   2HB   CYS  66          1HB       CYS  66 112.105  -7.142  -4.568
  517    HG   CYS  66           HG       CYS  66 112.594  -9.547  -5.311
  518    H    ALA  67           H        ALA  67 114.329  -8.407  -3.497
  519    HA   ALA  67           HA       ALA  67 115.266  -5.808  -2.445
  520   1HB   ALA  67          1HB       ALA  67 116.668  -8.291  -1.497
  521   2HB   ALA  67          2HB       ALA  67 115.209  -7.756  -0.664
  522   3HB   ALA  67          3HB       ALA  67 116.614  -6.693  -0.753
  523    H    ASP  68           H        ASP  68 117.858  -5.874  -2.742
  524    HA   ASP  68           HA       ASP  68 118.303  -6.611  -5.569
  525   1HB   ASP  68          2HB       ASP  68 118.916  -4.430  -4.170
  526   2HB   ASP  68          1HB       ASP  68 120.356  -5.368  -3.775
  527    HA   PRO  69           HA       PRO  69 120.277 -10.359  -4.036
  528   1HB   PRO  69          2HB       PRO  69 120.789 -11.431  -6.505
  529   2HB   PRO  69          1HB       PRO  69 119.197 -11.517  -5.725
  530   1HG   PRO  69          2HG       PRO  69 120.166  -9.665  -7.847
  531   2HG   PRO  69          1HG       PRO  69 118.594 -10.461  -7.676
  532   1HD   PRO  69          2HD       PRO  69 119.013  -7.858  -7.026
  533   2HD   PRO  69          1HD       PRO  69 117.800  -8.876  -6.219
  534    H    ALA  70           H        ALA  70 121.519  -7.880  -6.111
  535    HA   ALA  70           HA       ALA  70 124.193  -8.884  -6.510
  536   1HB   ALA  70          1HB       ALA  70 122.981  -6.102  -6.463
  537   2HB   ALA  70          2HB       ALA  70 123.191  -7.133  -7.879
  538   3HB   ALA  70          3HB       ALA  70 124.602  -6.464  -7.058
  539    H    THR  71           H        THR  71 122.608  -7.285  -3.818
  540    HA   THR  71           HA       THR  71 125.105  -7.544  -2.232
  541    HB   THR  71           HB       THR  71 123.600  -4.932  -2.255
  542    HG1  THR  71           HG1      THR  71 125.137  -4.246  -3.823
  543   1HG2  THR  71          1HG2      THR  71 126.172  -4.310  -1.855
  544   2HG2  THR  71          2HG2      THR  71 126.221  -5.983  -1.299
  545   3HG2  THR  71          3HG2      THR  71 125.125  -4.832  -0.535
  546    H    LEU  72           H        LEU  72 122.160  -8.560  -2.330
  547    HA   LEU  72           HA       LEU  72 120.444  -9.037  -0.764
  548   1HB   LEU  72          2HB       LEU  72 123.053  -8.852   0.709
  549   2HB   LEU  72          1HB       LEU  72 121.575  -9.122   1.632
  550    HG   LEU  72           HG       LEU  72 122.415 -10.804  -0.745
  551   1HD1  LEU  72          1HD1      LEU  72 124.029 -11.202   0.983
  552   2HD1  LEU  72          2HD1      LEU  72 122.870 -12.529   1.072
  553   3HD1  LEU  72          3HD1      LEU  72 122.784 -11.203   2.233
  554   1HD2  LEU  72          1HD2      LEU  72 120.099 -10.735   1.132
  555   2HD2  LEU  72          2HD2      LEU  72 120.718 -12.325   0.686
  556   3HD2  LEU  72          3HD2      LEU  72 120.156 -11.215  -0.564
  557    H    THR  73           H        THR  73 121.005  -6.134  -1.444
  558    HA   THR  73           HA       THR  73 120.476  -4.660   1.042
  559    HB   THR  73           HB       THR  73 120.160  -2.888  -0.999
  560    HG1  THR  73           HG1      THR  73 121.539  -3.547  -2.659
  561   1HG2  THR  73          1HG2      THR  73 122.850  -2.956  -0.895
  562   2HG2  THR  73          2HG2      THR  73 122.486  -3.972   0.501
  563   3HG2  THR  73          3HG2      THR  73 121.865  -2.321   0.424
  564    H    ARG  74           H        ARG  74 118.441  -4.435   1.849
  565    HA   ARG  74           HA       ARG  74 116.087  -4.978   0.117
  566   1HB   ARG  74          2HB       ARG  74 116.800  -4.975   3.002
  567   2HB   ARG  74          1HB       ARG  74 115.139  -4.521   2.628
  568   1HG   ARG  74          2HG       ARG  74 115.596  -6.715   0.982
  569   2HG   ARG  74          1HG       ARG  74 116.424  -7.145   2.476
  570   1HD   ARG  74          2HD       ARG  74 114.419  -6.896   3.772
  571   2HD   ARG  74          1HD       ARG  74 113.574  -6.104   2.427
  572    HE   ARG  74           HE       ARG  74 114.523  -8.639   1.525
  573   1HH1  ARG  74          1HH2      ARG  74 111.754  -7.008   2.366
  574   2HH1  ARG  74          2HH2      ARG  74 110.842  -8.406   2.831
  575   1HH2  ARG  74          2HH1      ARG  74 113.558 -10.557   2.686
  576   2HH2  ARG  74          1HH1      ARG  74 111.863 -10.414   3.011
  577    HA   PRO  75           HA       PRO  75 114.753  -0.782  -0.124
  578   1HB   PRO  75          2HB       PRO  75 112.152  -0.817   0.745
  579   2HB   PRO  75          1HB       PRO  75 112.658  -1.469  -0.827
  580   1HG   PRO  75          2HG       PRO  75 112.113  -2.907   1.729
  581   2HG   PRO  75          1HG       PRO  75 111.670  -3.349   0.072
  582   1HD   PRO  75          2HD       PRO  75 113.760  -4.477   1.352
  583   2HD   PRO  75          1HD       PRO  75 113.756  -4.204  -0.404
  584    H    VAL  76           H        VAL  76 114.600  -2.399   2.939
  585    HA   VAL  76           HA       VAL  76 113.864  -0.150   4.603
  586    HB   VAL  76           HB       VAL  76 115.475  -2.670   5.151
  587   1HG1  VAL  76          1HG1      VAL  76 113.897  -0.966   7.095
  588   2HG1  VAL  76          2HG1      VAL  76 115.639  -0.812   6.870
  589   3HG1  VAL  76          3HG1      VAL  76 114.958  -2.321   7.476
  590   1HG2  VAL  76          1HG2      VAL  76 112.629  -2.385   5.969
  591   2HG2  VAL  76          2HG2      VAL  76 113.494  -3.806   5.384
  592   3HG2  VAL  76          3HG2      VAL  76 112.927  -2.586   4.242
  593    H    HIS  77           H        HIS  77 116.900  -1.368   3.270
  594    HA   HIS  77           HA       HIS  77 118.688   0.228   4.873
  595   1HB   HIS  77          2HB       HIS  77 118.811  -1.177   2.200
  596   2HB   HIS  77          1HB       HIS  77 120.200  -0.296   2.836
  597    HD1  HIS  77           HD1      HIS  77 118.064  -3.320   3.471
  598    HD2  HIS  77           HD2      HIS  77 121.448  -1.503   5.091
  599    HE1  HIS  77           HE1      HIS  77 119.054  -4.979   5.108
  600    H    ASP  78           H        ASP  78 117.217   0.731   1.650
  601    HA   ASP  78           HA       ASP  78 118.486   3.204   1.017
  602   1HB   ASP  78          2HB       ASP  78 116.155   1.601   0.195
  603   2HB   ASP  78          1HB       ASP  78 115.959   3.330  -0.093
  604    H    ALA  79           H        ALA  79 115.160   2.737   2.288
  605    HA   ALA  79           HA       ALA  79 114.586   5.422   2.921
  606   1HB   ALA  79          1HB       ALA  79 112.902   4.443   4.394
  607   2HB   ALA  79          2HB       ALA  79 113.806   2.932   4.474
  608   3HB   ALA  79          3HB       ALA  79 113.052   3.429   2.959
  609    H    ALA  80           H        ALA  80 116.692   3.144   4.528
  610    HA   ALA  80           HA       ALA  80 116.884   4.692   7.015
  611   1HB   ALA  80          1HB       ALA  80 117.103   2.296   7.112
  612   2HB   ALA  80          2HB       ALA  80 118.713   2.953   7.411
  613   3HB   ALA  80          3HB       ALA  80 118.308   2.297   5.824
  614    H    ARG  81           H        ARG  81 118.625   4.360   3.969
  615    HA   ARG  81           HA       ARG  81 121.108   5.560   4.640
  616   1HB   ARG  81          2HB       ARG  81 120.538   4.434   2.505
  617   2HB   ARG  81          1HB       ARG  81 119.445   5.758   2.104
  618   1HG   ARG  81          2HG       ARG  81 121.398   6.370   0.964
  619   2HG   ARG  81          1HG       ARG  81 121.551   7.269   2.474
  620   1HD   ARG  81          2HD       ARG  81 123.088   5.661   3.384
  621   2HD   ARG  81          1HD       ARG  81 122.759   4.515   2.070
  622    HE   ARG  81           HE       ARG  81 124.093   7.165   1.653
  623   1HH1  ARG  81          2HH1      ARG  81 124.811   3.956   1.630
  624   2HH1  ARG  81          1HH1      ARG  81 125.333   3.870  -0.019
  625   1HH2  ARG  81          1HH2      ARG  81 124.175   7.037  -0.829
  626   2HH2  ARG  81          2HH2      ARG  81 124.972   5.613  -1.412
  627    H    GLU  82           H        GLU  82 117.962   6.997   3.867
  628    HA   GLU  82           HA       GLU  82 119.092   9.739   4.155
  629   1HB   GLU  82          2HB       GLU  82 116.655   8.446   3.004
  630   2HB   GLU  82          1HB       GLU  82 116.515  10.121   3.541
  631   1HG   GLU  82          2HG       GLU  82 117.192  10.317   1.287
  632   2HG   GLU  82          1HG       GLU  82 118.692  10.519   2.193
  633    H    GLY  83           H        GLY  83 117.374   7.357   5.968
  634   1HA   GLY  83          2HA       GLY  83 116.702   7.439   8.228
  635   2HA   GLY  83          1HA       GLY  83 117.234   9.118   8.283
  636    H    PHE  84           H        PHE  84 114.790   7.462   6.264
  637    HA   PHE  84           HA       PHE  84 112.867   9.632   6.979
  638   1HB   PHE  84          2HB       PHE  84 113.664   8.464   4.594
  639   2HB   PHE  84          1HB       PHE  84 112.128   7.662   4.925
  640    HD1  PHE  84           HD1      PHE  84 110.113   9.151   5.545
  641    HD2  PHE  84           HD2      PHE  84 113.702  10.655   3.729
  642    HE1  PHE  84           HE1      PHE  84 108.891  11.182   4.814
  643    HE2  PHE  84           HE2      PHE  84 112.481  12.687   2.998
  644    HZ   PHE  84           HZ       PHE  84 110.075  12.950   3.541
  645    H    LEU  85           H        LEU  85 112.265   8.733   9.071
  646    HA   LEU  85           HA       LEU  85 111.442   6.052   9.556
  647   1HB   LEU  85          2HB       LEU  85 111.155   8.739  10.777
  648   2HB   LEU  85          1HB       LEU  85 109.959   7.547  11.287
  649    HG   LEU  85           HG       LEU  85 112.921   6.946  11.257
  650   1HD1  LEU  85          1HD1      LEU  85 112.762   8.755  12.791
  651   2HD1  LEU  85          2HD1      LEU  85 112.674   7.308  13.794
  652   3HD1  LEU  85          3HD1      LEU  85 111.205   8.202  13.404
  653   1HD2  LEU  85          1HD2      LEU  85 111.201   5.086  11.307
  654   2HD2  LEU  85          2HD2      LEU  85 110.647   5.731  12.852
  655   3HD2  LEU  85          3HD2      LEU  85 112.289   5.112  12.694
  656    H    ASP  86           H        ASP  86 109.695   8.802   8.180
  657    HA   ASP  86           HA       ASP  86 107.023   7.876   8.396
  658   1HB   ASP  86          2HB       ASP  86 108.039  10.096   7.541
  659   2HB   ASP  86          1HB       ASP  86 108.186   9.280   5.985
  660    H    THR  87           H        THR  87 109.391   7.304   5.765
  661    HA   THR  87           HA       THR  87 107.659   5.576   4.231
  662    HB   THR  87           HB       THR  87 110.680   5.853   4.357
  663    HG1  THR  87           HG1      THR  87 108.724   7.052   2.699
  664   1HG2  THR  87          1HG2      THR  87 109.008   4.034   2.902
  665   2HG2  THR  87          2HG2      THR  87 110.760   4.211   2.828
  666   3HG2  THR  87          3HG2      THR  87 109.732   5.171   1.766
  667    H    LEU  88           H        LEU  88 109.990   5.035   6.838
  668    HA   LEU  88           HA       LEU  88 110.299   2.218   6.660
  669   1HB   LEU  88          2HB       LEU  88 110.576   4.380   8.656
  670   2HB   LEU  88          1HB       LEU  88 110.335   2.775   9.350
  671    HG   LEU  88           HG       LEU  88 112.151   2.084   7.548
  672   1HD1  LEU  88          1HD1      LEU  88 113.730   3.812   7.037
  673   2HD1  LEU  88          2HD1      LEU  88 112.943   4.946   8.133
  674   3HD1  LEU  88          3HD1      LEU  88 112.142   4.467   6.637
  675   1HD2  LEU  88          1HD2      LEU  88 112.592   1.717   9.852
  676   2HD2  LEU  88          2HD2      LEU  88 112.583   3.444  10.213
  677   3HD2  LEU  88          3HD2      LEU  88 113.923   2.739   9.310
  678    H    VAL  89           H        VAL  89 107.827   4.155   8.356
  679    HA   VAL  89           HA       VAL  89 106.380   1.996   9.538
  680    HB   VAL  89           HB       VAL  89 105.698   4.794   8.599
  681   1HG1  VAL  89          1HG1      VAL  89 103.608   4.539   9.987
  682   2HG1  VAL  89          2HG1      VAL  89 103.931   2.806  10.054
  683   3HG1  VAL  89          3HG1      VAL  89 103.604   3.584   8.504
  684   1HG2  VAL  89          1HG2      VAL  89 107.220   4.575  10.518
  685   2HG2  VAL  89          2HG2      VAL  89 106.060   3.524  11.330
  686   3HG2  VAL  89          3HG2      VAL  89 105.662   5.218  11.042
  687    H    VAL  90           H        VAL  90 105.714   3.792   6.513
  688    HA   VAL  90           HA       VAL  90 103.536   2.441   5.492
  689    HB   VAL  90           HB       VAL  90 106.059   3.353   4.073
  690   1HG1  VAL  90          1HG1      VAL  90 104.552   1.905   2.687
  691   2HG1  VAL  90          2HG1      VAL  90 104.681   3.557   2.084
  692   3HG1  VAL  90          3HG1      VAL  90 103.247   3.056   2.979
  693   1HG2  VAL  90          1HG2      VAL  90 103.778   5.113   3.863
  694   2HG2  VAL  90          2HG2      VAL  90 105.376   5.451   4.531
  695   3HG2  VAL  90          3HG2      VAL  90 104.113   4.781   5.563
  696    H    LEU  91           H        LEU  91 106.947   1.407   5.170
  697    HA   LEU  91           HA       LEU  91 106.397  -0.979   3.659
  698   1HB   LEU  91          2HB       LEU  91 108.621   0.330   5.090
  699   2HB   LEU  91          1HB       LEU  91 108.753  -1.427   5.010
  700    HG   LEU  91           HG       LEU  91 108.042  -0.971   2.467
  701   1HD1  LEU  91          1HD1      LEU  91 108.037   1.234   1.988
  702   2HD1  LEU  91          2HD1      LEU  91 109.787   1.204   2.204
  703   3HD1  LEU  91          3HD1      LEU  91 108.739   1.643   3.553
  704   1HD2  LEU  91          1HD2      LEU  91 110.450  -1.047   1.916
  705   2HD2  LEU  91          2HD2      LEU  91 110.076  -2.147   3.243
  706   3HD2  LEU  91          3HD2      LEU  91 110.846  -0.594   3.574
  707    H    HIS  92           H        HIS  92 107.202  -0.570   7.133
  708    HA   HIS  92           HA       HIS  92 106.764  -3.305   7.858
  709   1HB   HIS  92          2HB       HIS  92 107.985  -1.388   9.063
  710   2HB   HIS  92          1HB       HIS  92 106.393  -0.888   9.635
  711    HD1  HIS  92           HD1      HIS  92 108.353  -1.812  11.749
  712    HD2  HIS  92           HD2      HIS  92 105.792  -4.446   9.779
  713    HE1  HIS  92           HE1      HIS  92 108.119  -3.839  13.248
  714    H    ARG  93           H        ARG  93 104.605  -0.449   8.141
  715    HA   ARG  93           HA       ARG  93 102.409  -1.933   9.278
  716   1HB   ARG  93          2HB       ARG  93 101.219   0.137   8.985
  717   2HB   ARG  93          1HB       ARG  93 102.884   0.557   9.374
  718   1HG   ARG  93          2HG       ARG  93 103.007   1.753   7.474
  719   2HG   ARG  93          1HG       ARG  93 102.736   0.282   6.542
  720   1HD   ARG  93          2HD       ARG  93 100.303   0.593   6.706
  721   2HD   ARG  93          1HD       ARG  93 100.544   2.038   7.709
  722    HE   ARG  93           HE       ARG  93 101.708   1.875   4.957
  723   1HH1  ARG  93          1HH2      ARG  93 101.628   4.100   7.279
  724   2HH1  ARG  93          2HH2      ARG  93 100.640   5.267   6.467
  725   1HH2  ARG  93          2HH1      ARG  93  99.663   3.088   3.955
  726   2HH2  ARG  93          1HH1      ARG  93  99.526   4.694   4.587
  727    H    ALA  94           H        ALA  94 103.648  -1.898   6.099
  728    HA   ALA  94           HA       ALA  94 101.060  -2.865   5.025
  729   1HB   ALA  94          1HB       ALA  94 101.734  -1.902   2.914
  730   2HB   ALA  94          2HB       ALA  94 103.361  -1.602   3.526
  731   3HB   ALA  94          3HB       ALA  94 101.997  -0.682   4.160
  732    H    GLY  95           H        GLY  95 103.330  -4.370   6.370
  733   1HA   GLY  95          2HA       GLY  95 104.149  -6.568   6.045
  734   2HA   GLY  95          1HA       GLY  95 103.489  -6.535   4.410
  735    H    ALA  96           H        ALA  96 106.333  -6.287   6.257
  736    HA   ALA  96           HA       ALA  96 108.007  -6.098   3.888
  737   1HB   ALA  96          1HB       ALA  96 108.966  -3.884   4.436
  738   2HB   ALA  96          2HB       ALA  96 107.846  -3.735   5.789
  739   3HB   ALA  96          3HB       ALA  96 107.234  -3.759   4.136
  740    H    ARG  97           H        ARG  97 109.540  -7.570   4.524
  741    HA   ARG  97           HA       ARG  97 110.196  -8.129   7.283
  742   1HB   ARG  97          2HB       ARG  97 110.337  -9.672   5.289
  743   2HB   ARG  97          1HB       ARG  97 111.743  -8.756   4.750
  744   1HG   ARG  97          2HG       ARG  97 112.369  -9.281   7.383
  745   2HG   ARG  97          1HG       ARG  97 111.524 -10.751   6.898
  746   1HD   ARG  97          2HD       ARG  97 113.022 -10.935   4.912
  747   2HD   ARG  97          1HD       ARG  97 113.911  -9.509   5.483
  748    HE   ARG  97           HE       ARG  97 114.865 -10.848   7.184
  749   1HH1  ARG  97          2HH1      ARG  97 114.535 -13.223   5.405
  750   2HH1  ARG  97          1HH1      ARG  97 113.662 -14.324   6.418
  751   1HH2  ARG  97          1HH2      ARG  97 112.677 -11.883   8.675
  752   2HH2  ARG  97          2HH2      ARG  97 112.611 -13.565   8.269
  753    H    LEU  98           H        LEU  98 111.743  -7.160   8.563
  754    HA   LEU  98           HA       LEU  98 113.615  -5.214   7.246
  755   1HB   LEU  98          2HB       LEU  98 112.424  -5.167  10.041
  756   2HB   LEU  98          1HB       LEU  98 113.378  -3.891   9.287
  757    HG   LEU  98           HG       LEU  98 111.362  -4.319   7.435
  758   1HD1  LEU  98          1HD1      LEU  98 110.198  -4.461  10.234
  759   2HD1  LEU  98          2HD1      LEU  98 110.167  -5.761   9.043
  760   3HD1  LEU  98          3HD1      LEU  98 109.270  -4.271   8.746
  761   1HD2  LEU  98          1HD2      LEU  98 110.378  -2.228   8.835
  762   2HD2  LEU  98          2HD2      LEU  98 111.806  -2.094   7.809
  763   3HD2  LEU  98          3HD2      LEU  98 111.989  -2.317   9.550
  764    H    ASP  99           H        ASP  99 113.972  -8.161   7.951
  765    HA   ASP  99           HA       ASP  99 116.222  -7.866   9.915
  766   1HB   ASP  99          2HB       ASP  99 114.486 -10.238   9.154
  767   2HB   ASP  99          1HB       ASP  99 115.788 -10.282  10.345
  768    H    VAL 100           H        VAL 100 116.898  -7.137   7.373
  769    HA   VAL 100           HA       VAL 100 118.324  -9.541   6.276
  770    HB   VAL 100           HB       VAL 100 116.454  -8.647   4.880
  771   1HG1  VAL 100          1HG1      VAL 100 117.896  -6.233   4.066
  772   2HG1  VAL 100          2HG1      VAL 100 117.383  -6.177   5.751
  773   3HG1  VAL 100          3HG1      VAL 100 116.194  -6.437   4.477
  774   1HG2  VAL 100          1HG2      VAL 100 117.629  -8.895   2.901
  775   2HG2  VAL 100          2HG2      VAL 100 118.831  -9.511   4.035
  776   3HG2  VAL 100          3HG2      VAL 100 118.952  -7.857   3.435
  777    H    CYS 101           H        CYS 101 120.486  -9.118   5.471
  778    HA   CYS 101           HA       CYS 101 121.723  -6.648   6.634
  779   1HB   CYS 101          2HB       CYS 101 122.872  -9.362   5.898
  780   2HB   CYS 101          1HB       CYS 101 123.782  -8.044   6.634
  781    HG   CYS 101           HG       CYS 101 121.378  -9.421   8.097
  782    H    ASP 102           H        ASP 102 123.123  -5.406   5.300
  783    HA   ASP 102           HA       ASP 102 122.556  -5.410   2.462
  784   1HB   ASP 102          2HB       ASP 102 124.250  -3.583   2.482
  785   2HB   ASP 102          1HB       ASP 102 123.066  -3.392   3.774
  786    H    ALA 103           H        ALA 103 123.289  -7.859   2.409
  787    HA   ALA 103           HA       ALA 103 124.828  -9.436   1.566
  788   1HB   ALA 103          1HB       ALA 103 126.816  -7.906   0.402
  789   2HB   ALA 103          2HB       ALA 103 125.452  -6.791   0.436
  790   3HB   ALA 103          3HB       ALA 103 125.298  -8.349  -0.376
  791    H    TRP 104           H        TRP 104 125.959 -10.489   3.154
  792    HA   TRP 104           HA       TRP 104 127.439 -10.803   4.997
  793   1HB   TRP 104          2HB       TRP 104 129.765 -10.494   4.151
  794   2HB   TRP 104          1HB       TRP 104 128.717 -11.262   2.962
  795    HD1  TRP 104           HD1      TRP 104 130.344  -7.882   3.772
  796    HE1  TRP 104           HE1      TRP 104 130.442  -6.481   1.610
  797    HE3  TRP 104           HE3      TRP 104 127.720 -10.930   0.626
  798    HZ2  TRP 104           HZ2      TRP 104 129.528  -6.635  -1.098
  799    HZ3  TRP 104           HZ3      TRP 104 127.348 -10.281  -1.736
  800    HH2  TRP 104           HH2      TRP 104 128.248  -8.138  -2.601
  801    H    GLY 105           H        GLY 105 126.039  -8.214   5.195
  802   1HA   GLY 105          2HA       GLY 105 128.189  -6.640   6.558
  803   2HA   GLY 105          1HA       GLY 105 126.853  -5.866   5.705
  804    H    ARG 106           H        ARG 106 125.470  -5.018   7.173
  805    HA   ARG 106           HA       ARG 106 124.620  -6.740   9.470
  806   1HB   ARG 106          2HB       ARG 106 125.978  -4.117   9.406
  807   2HB   ARG 106          1HB       ARG 106 124.579  -4.183  10.477
  808   1HG   ARG 106          2HG       ARG 106 126.426  -6.504  10.612
  809   2HG   ARG 106          1HG       ARG 106 127.052  -4.978  11.238
  810   1HD   ARG 106          2HD       ARG 106 125.023  -4.758  12.673
  811   2HD   ARG 106          1HD       ARG 106 124.476  -6.345  12.097
  812    HE   ARG 106           HE       ARG 106 127.131  -5.998  13.441
  813   1HH1  ARG 106          1HH2      ARG 106 125.145  -8.311  12.149
  814   2HH1  ARG 106          2HH2      ARG 106 125.041  -9.300  13.568
  815   1HH2  ARG 106          2HH1      ARG 106 126.566  -6.964  15.629
  816   2HH2  ARG 106          1HH1      ARG 106 125.845  -8.536  15.539
  817    H    LEU 107           H        LEU 107 122.642  -5.510  10.559
  818    HA   LEU 107           HA       LEU 107 120.498  -5.410   8.669
  819   1HB   LEU 107          2HB       LEU 107 120.812  -4.355  11.500
  820   2HB   LEU 107          1HB       LEU 107 119.263  -4.546  10.679
  821    HG   LEU 107           HG       LEU 107 121.244  -6.788  11.172
  822   1HD1  LEU 107          1HD1      LEU 107 118.585  -6.230  12.517
  823   2HD1  LEU 107          2HD1      LEU 107 120.156  -5.897  13.245
  824   3HD1  LEU 107          3HD1      LEU 107 119.689  -7.557  12.877
  825   1HD2  LEU 107          1HD2      LEU 107 119.217  -8.178  10.529
  826   2HD2  LEU 107          2HD2      LEU 107 119.922  -7.243   9.210
  827   3HD2  LEU 107          3HD2      LEU 107 118.451  -6.679  10.002
  828    HA   PRO 108           HA       PRO 108 120.541  -1.252   7.248
  829   1HB   PRO 108          2HB       PRO 108 117.911  -0.494   7.397
  830   2HB   PRO 108          1HB       PRO 108 118.527  -1.628   6.177
  831   1HG   PRO 108          2HG       PRO 108 117.088  -2.189   8.725
  832   2HG   PRO 108          1HG       PRO 108 116.913  -2.957   7.138
  833   1HD   PRO 108          2HD       PRO 108 118.299  -4.087   9.175
  834   2HD   PRO 108          1HD       PRO 108 118.710  -4.350   7.466
  835    H    VAL 109           H        VAL 109 119.361  -1.933  10.434
  836    HA   VAL 109           HA       VAL 109 118.809   0.697  11.401
  837    HB   VAL 109           HB       VAL 109 118.267  -1.441  12.534
  838   1HG1  VAL 109          1HG1      VAL 109 119.890  -2.890  13.397
  839   2HG1  VAL 109          2HG1      VAL 109 121.141  -1.646  13.397
  840   3HG1  VAL 109          3HG1      VAL 109 120.626  -2.379  11.878
  841   1HG2  VAL 109          1HG2      VAL 109 120.169   0.039  14.341
  842   2HG2  VAL 109          2HG2      VAL 109 118.590  -0.646  14.723
  843   3HG2  VAL 109          3HG2      VAL 109 118.703   0.825  13.754
  844    H    ASP 110           H        ASP 110 121.850  -1.095  11.032
  845    HA   ASP 110           HA       ASP 110 123.519   0.766  12.480
  846   1HB   ASP 110          2HB       ASP 110 123.903  -1.421  10.438
  847   2HB   ASP 110          1HB       ASP 110 125.277  -0.459  10.986
  848    H    LEU 111           H        LEU 111 122.682   0.404   9.027
  849    HA   LEU 111           HA       LEU 111 124.398   2.396   7.951
  850   1HB   LEU 111          2HB       LEU 111 123.052   0.735   6.684
  851   2HB   LEU 111          1HB       LEU 111 121.581   1.596   7.139
  852    HG   LEU 111           HG       LEU 111 123.110   3.631   6.112
  853   1HD1  LEU 111          1HD1      LEU 111 123.689   2.386   3.800
  854   2HD1  LEU 111          2HD1      LEU 111 123.967   1.044   4.910
  855   3HD1  LEU 111          3HD1      LEU 111 124.868   2.547   5.102
  856   1HD2  LEU 111          1HD2      LEU 111 121.067   1.789   4.865
  857   2HD2  LEU 111          2HD2      LEU 111 121.708   3.177   3.986
  858   3HD2  LEU 111          3HD2      LEU 111 120.831   3.419   5.497
  859    H    ALA 112           H        ALA 112 121.308   2.671   9.634
  860    HA   ALA 112           HA       ALA 112 120.756   5.421   8.954
  861   1HB   ALA 112          1HB       ALA 112 119.818   3.314  10.808
  862   2HB   ALA 112          2HB       ALA 112 118.883   4.427   9.810
  863   3HB   ALA 112          3HB       ALA 112 119.530   4.966  11.359
  864    H    GLU 113           H        GLU 113 121.696   4.148  12.169
  865    HA   GLU 113           HA       GLU 113 122.490   6.577  13.314
  866   1HB   GLU 113          2HB       GLU 113 122.922   3.688  13.730
  867   2HB   GLU 113          1HB       GLU 113 124.140   4.721  14.476
  868   1HG   GLU 113          2HG       GLU 113 121.187   5.266  14.798
  869   2HG   GLU 113          1HG       GLU 113 122.056   4.183  15.887
  870    H    GLU 114           H        GLU 114 124.207   4.553  11.028
  871    HA   GLU 114           HA       GLU 114 126.849   5.664  11.487
  872   1HB   GLU 114          2HB       GLU 114 125.479   4.049   9.335
  873   2HB   GLU 114          1HB       GLU 114 127.155   4.571   9.153
  874   1HG   GLU 114          2HG       GLU 114 126.383   3.274  11.729
  875   2HG   GLU 114          1HG       GLU 114 126.544   2.242  10.307
  876    H    GLN 115           H        GLN 115 124.082   6.591   9.523
  877    HA   GLN 115           HA       GLN 115 125.687   8.588   8.018
  878   1HB   GLN 115          2HB       GLN 115 124.018   7.120   6.907
  879   2HB   GLN 115          1HB       GLN 115 122.753   7.817   7.920
  880   1HG   GLN 115          2HG       GLN 115 122.729   8.962   5.780
  881   2HG   GLN 115          1HG       GLN 115 123.346  10.077   6.998
  882   1HE2  GLN 115          1HE2      GLN 115 125.035  11.258   6.091
  883   2HE2  GLN 115          2HE2      GLN 115 126.253  10.613   5.101
  884    H    GLY 116           H        GLY 116 123.674   8.405  10.823
  885   1HA   GLY 116          2HA       GLY 116 123.887  10.520  12.240
  886   2HA   GLY 116          1HA       GLY 116 123.353  11.381  10.796
  887    H    HIS 117           H        HIS 117 121.587   8.794  10.387
  888    HA   HIS 117           HA       HIS 117 119.171   9.954  11.532
  889   1HB   HIS 117          2HB       HIS 117 119.539   7.200  10.333
  890   2HB   HIS 117          1HB       HIS 117 118.091   8.206  10.317
  891    HD1  HIS 117           HD1      HIS 117 119.007  10.831   9.261
  892    HD2  HIS 117           HD2      HIS 117 120.502   7.246   7.747
  893    HE1  HIS 117           HE1      HIS 117 119.910  11.350   6.953
  894    H    ARG 118           H        ARG 118 119.333   9.873  13.820
  895    HA   ARG 118           HA       ARG 118 120.003   7.306  15.129
  896   1HB   ARG 118          2HB       ARG 118 120.035   8.673  17.141
  897   2HB   ARG 118          1HB       ARG 118 120.873   9.545  15.860
  898   1HG   ARG 118          2HG       ARG 118 118.709  10.762  15.387
  899   2HG   ARG 118          1HG       ARG 118 118.043  10.007  16.835
  900   1HD   ARG 118          2HD       ARG 118 120.601  11.639  16.872
  901   2HD   ARG 118          1HD       ARG 118 119.002  12.329  17.218
  902    HE   ARG 118           HE       ARG 118 120.092   9.997  18.754
  903   1HH1  ARG 118          2HH1      ARG 118 119.771  13.276  19.053
  904   2HH1  ARG 118          1HH1      ARG 118 118.778  13.252  20.472
  905   1HH2  ARG 118          1HH2      ARG 118 118.227   9.830  20.349
  906   2HH2  ARG 118          2HH2      ARG 118 117.904  11.301  21.207
  907    H    ASP 119           H        ASP 119 117.198   9.516  14.865
  908    HA   ASP 119           HA       ASP 119 115.442   8.050  16.593
  909   1HB   ASP 119          2HB       ASP 119 114.935   9.810  14.168
  910   2HB   ASP 119          1HB       ASP 119 113.700   9.339  15.336
  911    H    ILE 120           H        ILE 120 116.132   7.820  13.120
  912    HA   ILE 120           HA       ILE 120 114.112   5.885  12.474
  913    HB   ILE 120           HB       ILE 120 115.610   7.451  11.034
  914   1HG1  ILE 120          2HG1      ILE 120 114.186   5.061  10.496
  915   2HG1  ILE 120          1HG1      ILE 120 114.562   6.363   9.369
  916   1HG2  ILE 120          1HG2      ILE 120 117.408   5.017  11.270
  917   2HG2  ILE 120          2HG2      ILE 120 117.779   6.646  11.834
  918   3HG2  ILE 120          3HG2      ILE 120 117.622   6.324  10.107
  919   1HD1  ILE 120          1HD1      ILE 120 116.701   5.290   8.814
  920   2HD1  ILE 120          2HD1      ILE 120 115.364   4.174   8.533
  921   3HD1  ILE 120          3HD1      ILE 120 116.369   4.001   9.972
  922    H    ALA 121           H        ALA 121 117.467   5.592  13.607
  923    HA   ALA 121           HA       ALA 121 117.807   2.783  13.256
  924   1HB   ALA 121          1HB       ALA 121 118.881   4.749  15.306
  925   2HB   ALA 121          2HB       ALA 121 119.630   4.316  13.768
  926   3HB   ALA 121          3HB       ALA 121 119.528   3.126  15.065
  927    H    ARG 122           H        ARG 122 116.333   4.665  15.884
  928    HA   ARG 122           HA       ARG 122 116.002   2.571  17.788
  929   1HB   ARG 122          2HB       ARG 122 115.324   5.286  17.443
  930   2HB   ARG 122          1HB       ARG 122 113.787   4.459  17.699
  931   1HG   ARG 122          2HG       ARG 122 114.506   3.556  19.786
  932   2HG   ARG 122          1HG       ARG 122 116.188   3.985  19.475
  933   1HD   ARG 122          2HD       ARG 122 114.564   6.365  19.288
  934   2HD   ARG 122          1HD       ARG 122 114.259   5.553  20.837
  935    HE   ARG 122           HE       ARG 122 117.071   5.964  19.916
  936   1HH1  ARG 122          1HH2      ARG 122 114.760   7.668  21.595
  937   2HH1  ARG 122          2HH2      ARG 122 115.644   7.776  23.082
  938   1HH2  ARG 122          2HH1      ARG 122 118.116   5.560  22.081
  939   2HH2  ARG 122          1HH1      ARG 122 117.544   6.583  23.356
  940    H    TYR 123           H        TYR 123 113.715   3.777  15.299
  941    HA   TYR 123           HA       TYR 123 111.656   1.856  15.754
  942   1HB   TYR 123          2HB       TYR 123 111.536   3.972  14.410
  943   2HB   TYR 123          1HB       TYR 123 112.504   3.189  13.161
  944    HD1  TYR 123           HD1      TYR 123 109.602   2.121  15.297
  945    HD2  TYR 123           HD2      TYR 123 111.214   2.537  11.339
  946    HE1  TYR 123           HE1      TYR 123 107.556   1.084  14.354
  947    HE2  TYR 123           HE2      TYR 123 109.169   1.500  10.395
  948    HH   TYR 123           HH       TYR 123 107.022  -0.243  12.141
  949    H    LEU 124           H        LEU 124 114.690   1.649  13.985
  950    HA   LEU 124           HA       LEU 124 113.977  -0.882  12.659
  951   1HB   LEU 124          2HB       LEU 124 116.425   0.883  12.867
  952   2HB   LEU 124          1HB       LEU 124 116.464  -0.663  12.017
  953    HG   LEU 124           HG       LEU 124 114.494   1.560  11.414
  954   1HD1  LEU 124          1HD1      LEU 124 116.785   2.245  10.844
  955   2HD1  LEU 124          2HD1      LEU 124 115.865   1.913   9.378
  956   3HD1  LEU 124          3HD1      LEU 124 117.033   0.733   9.972
  957   1HD2  LEU 124          1HD2      LEU 124 113.537  -0.476  10.699
  958   2HD2  LEU 124          2HD2      LEU 124 115.099  -1.148  10.232
  959   3HD2  LEU 124          3HD2      LEU 124 114.356   0.118   9.254
  960    H    HIS 125           H        HIS 125 115.998   0.200  15.385
  961    HA   HIS 125           HA       HIS 125 117.355  -2.200  15.990
  962   1HB   HIS 125          2HB       HIS 125 116.378   0.208  17.462
  963   2HB   HIS 125          1HB       HIS 125 116.948  -1.152  18.427
  964    HD1  HIS 125           HD1      HIS 125 119.372  -2.170  17.281
  965    HD2  HIS 125           HD2      HIS 125 118.484   1.883  16.883
  966    HE1  HIS 125           HE1      HIS 125 121.563  -1.003  16.773
  967    H    ALA 126           H        ALA 126 113.996  -1.304  16.567
  968    HA   ALA 126           HA       ALA 126 113.551  -3.788  18.156
  969   1HB   ALA 126          1HB       ALA 126 111.303  -2.671  18.501
  970   2HB   ALA 126          2HB       ALA 126 111.902  -1.317  17.544
  971   3HB   ALA 126          3HB       ALA 126 112.678  -1.726  19.073
  972    H    ALA 127           H        ALA 127 113.034  -2.439  14.983
  973    HA   ALA 127           HA       ALA 127 110.947  -4.425  14.283
  974   1HB   ALA 127          1HB       ALA 127 110.759  -2.103  13.529
  975   2HB   ALA 127          2HB       ALA 127 111.003  -3.151  12.132
  976   3HB   ALA 127          3HB       ALA 127 112.345  -2.200  12.766
  977    H    THR 128           H        THR 128 114.388  -3.860  13.843
  978    HA   THR 128           HA       THR 128 114.589  -6.059  11.843
  979    HB   THR 128           HB       THR 128 116.838  -5.186  11.526
  980    HG1  THR 128           HG1      THR 128 117.489  -3.421  12.911
  981   1HG2  THR 128          1HG2      THR 128 115.000  -2.822  11.972
  982   2HG2  THR 128          2HG2      THR 128 114.896  -3.890  10.573
  983   3HG2  THR 128          3HG2      THR 128 116.348  -2.926  10.839
  984    H    GLY 129           H        GLY 129 114.199  -6.174  15.004
  985   1HA   GLY 129          2HA       GLY 129 116.539  -7.945  15.557
  986   2HA   GLY 129          1HA       GLY 129 115.566  -7.157  16.799
  987    H    ASP 130           HN       ASP 130 114.018  -8.402  17.742
  988    HA   ASP 130           HA       ASP 130 112.431 -10.327  16.313
  989   1HB   ASP 130          2HB       ASP 130 113.411 -12.342  17.373
  990   2HB   ASP 130          1HB       ASP 130 114.606 -11.500  16.388
  Start of MODEL    8
    1   1H    GLY  -5          1H        GLY  -5  93.567  14.996 -31.532
    2   2H    GLY  -5          2H        GLY  -5  93.222  14.814 -33.185
    3   3H    GLY  -5          3H        GLY  -5  93.329  16.366 -32.503
    4   1HA   GLY  -5          2HA       GLY  -5  95.363  16.203 -33.524
    5   2HA   GLY  -5          1HA       GLY  -5  95.723  15.650 -31.887
    6    H    SER  -4           H        SER  -4  97.279  14.102 -32.265
    7    HA   SER  -4           HA       SER  -4  97.162  12.228 -34.485
    8   1HB   SER  -4          2HB       SER  -4  98.755  12.231 -31.901
    9   2HB   SER  -4          1HB       SER  -4  99.131  11.280 -33.335
   10    HG   SER  -4           HG       SER  -4 100.332  13.194 -33.326
   11    HA   PRO  -3           HA       PRO  -3  94.702   9.069 -32.671
   12   1HB   PRO  -3          2HB       PRO  -3  95.895   6.806 -33.641
   13   2HB   PRO  -3          1HB       PRO  -3  94.920   7.893 -34.652
   14   1HG   PRO  -3          2HG       PRO  -3  97.877   7.666 -34.422
   15   2HG   PRO  -3          1HG       PRO  -3  96.875   7.966 -35.849
   16   1HD   PRO  -3          2HD       PRO  -3  98.251   9.919 -34.525
   17   2HD   PRO  -3          1HD       PRO  -3  96.771  10.216 -35.465
   18    H    GLY  -2           H        GLY  -2  94.689   8.086 -30.664
   19   1HA   GLY  -2          2HA       GLY  -2  97.239   6.994 -29.587
   20   2HA   GLY  -2          1HA       GLY  -2  96.374   8.204 -28.637
   21    H    ILE  -1           H        ILE  -1  95.336   5.328 -30.504
   22    HA   ILE  -1           HA       ILE  -1  93.720   4.509 -28.115
   23    HB   ILE  -1           HB       ILE  -1  92.345   3.330 -29.824
   24   1HG1  ILE  -1          2HG1      ILE  -1  94.046   4.719 -31.903
   25   2HG1  ILE  -1          1HG1      ILE  -1  94.382   3.065 -31.389
   26   1HG2  ILE  -1          1HG2      ILE  -1  92.884   6.220 -30.566
   27   2HG2  ILE  -1          2HG2      ILE  -1  91.906   5.714 -29.189
   28   3HG2  ILE  -1          3HG2      ILE  -1  91.387   5.325 -30.829
   29   1HD1  ILE  -1          1HD1      ILE  -1  92.168   2.343 -32.066
   30   2HD1  ILE  -1          2HD1      ILE  -1  92.912   3.197 -33.418
   31   3HD1  ILE  -1          3HD1      ILE  -1  91.695   4.002 -32.430
   32    H    HIS   0           H        HIS   0  96.593   3.890 -28.475
   33    HA   HIS   0           HA       HIS   0  96.612   1.000 -29.167
   34   1HB   HIS   0          2HB       HIS   0  98.319   2.777 -29.901
   35   2HB   HIS   0          1HB       HIS   0  98.895   2.753 -28.235
   36    HD1  HIS   0           HD1      HIS   0  99.921   0.483 -27.360
   37    HD2  HIS   0           HD2      HIS   0  99.068   0.540 -31.440
   38    HE1  HIS   0           HE1      HIS   0 101.121  -1.506 -28.371
   39    H    MET   1           H        MET   1  95.548   2.482 -26.546
   40    HA   MET   1           HA       MET   1  95.411   1.909 -24.260
   41   1HB   MET   1          2HB       MET   1  95.247  -0.336 -25.662
   42   2HB   MET   1          1HB       MET   1  96.817  -0.658 -24.925
   43   1HG   MET   1          2HG       MET   1  95.778  -0.163 -22.682
   44   2HG   MET   1          1HG       MET   1  94.212  -0.087 -23.490
   45   1HE   MET   1          1HE       MET   1  93.657  -3.566 -24.926
   46   2HE   MET   1          2HE       MET   1  94.148  -2.032 -25.639
   47   3HE   MET   1          3HE       MET   1  92.894  -2.059 -24.403
   48    H    LEU   2           H        LEU   2  96.811   1.482 -22.324
   49    HA   LEU   2           HA       LEU   2  99.738   1.537 -22.755
   50   1HB   LEU   2          2HB       LEU   2  98.758   3.886 -22.988
   51   2HB   LEU   2          1HB       LEU   2  98.329   3.776 -21.280
   52    HG   LEU   2           HG       LEU   2 100.802   3.153 -20.888
   53   1HD1  LEU   2          1HD1      LEU   2 102.380   3.776 -22.573
   54   2HD1  LEU   2          2HD1      LEU   2 101.133   4.548 -23.552
   55   3HD1  LEU   2          3HD1      LEU   2 101.167   2.791 -23.392
   56   1HD2  LEU   2          1HD2      LEU   2  99.585   5.419 -20.502
   57   2HD2  LEU   2          2HD2      LEU   2 100.426   5.948 -21.959
   58   3HD2  LEU   2          3HD2      LEU   2 101.349   5.424 -20.551
   59    H    GLY   3           H        GLY   3  99.864  -0.348 -21.454
   60   1HA   GLY   3          2HA       GLY   3  99.328   0.111 -18.558
   61   2HA   GLY   3          1HA       GLY   3  98.752  -1.374 -19.317
   62    H    GLY   4           H        GLY   4 100.712  -2.296 -20.827
   63   1HA   GLY   4          2HA       GLY   4 102.717  -3.177 -18.945
   64   2HA   GLY   4          1HA       GLY   4 102.705  -3.534 -20.673
   65    H    SER   5           H        SER   5 102.544  -0.595 -21.298
   66    HA   SER   5           HA       SER   5 105.453  -0.085 -21.219
   67   1HB   SER   5          2HB       SER   5 104.625   1.879 -22.675
   68   2HB   SER   5          1HB       SER   5 104.365   0.256 -23.308
   69    HG   SER   5           HG       SER   5 102.311   0.646 -23.237
   70    H    SER   6           H        SER   6 105.887   2.469 -20.932
   71    HA   SER   6           HA       SER   6 106.048   4.234 -19.370
   72   1HB   SER   6          2HB       SER   6 103.207   3.708 -18.584
   73   2HB   SER   6          1HB       SER   6 103.994   5.235 -18.970
   74    HG   SER   6           HG       SER   6 104.075   4.473 -21.171
   75    H    ASP   7           H        ASP   7 106.330   1.286 -18.474
   76    HA   ASP   7           HA       ASP   7 105.358   1.131 -15.751
   77   1HB   ASP   7          2HB       ASP   7 107.393  -0.297 -17.459
   78   2HB   ASP   7          1HB       ASP   7 107.227  -0.696 -15.749
   79    H    ALA   8           H        ALA   8 108.399   2.197 -17.246
   80    HA   ALA   8           HA       ALA   8 109.839   2.568 -14.756
   81   1HB   ALA   8          1HB       ALA   8 111.542   3.087 -16.199
   82   2HB   ALA   8          2HB       ALA   8 110.533   4.182 -17.145
   83   3HB   ALA   8          3HB       ALA   8 110.438   2.441 -17.413
   84    H    GLY   9           H        GLY   9 107.512   4.469 -16.529
   85   1HA   GLY   9          2HA       GLY   9 108.186   7.089 -15.691
   86   2HA   GLY   9          1HA       GLY   9 106.549   6.554 -16.061
   87    H    LEU  10           H        LEU  10 106.784   4.430 -13.928
   88    HA   LEU  10           HA       LEU  10 105.696   6.006 -11.737
   89   1HB   LEU  10          2HB       LEU  10 104.742   3.881 -12.147
   90   2HB   LEU  10          1HB       LEU  10 106.315   3.107 -12.318
   91    HG   LEU  10           HG       LEU  10 106.737   3.414  -9.908
   92   1HD1  LEU  10          1HD1      LEU  10 105.623   5.251  -9.098
   93   2HD1  LEU  10          2HD1      LEU  10 104.419   4.031  -8.685
   94   3HD1  LEU  10          3HD1      LEU  10 104.228   4.997 -10.146
   95   1HD2  LEU  10          1HD2      LEU  10 104.128   2.095 -10.691
   96   2HD2  LEU  10          2HD2      LEU  10 104.834   1.927  -9.085
   97   3HD2  LEU  10          3HD2      LEU  10 105.705   1.330 -10.498
   98    H    ALA  11           H        ALA  11 108.746   4.253 -12.312
   99    HA   ALA  11           HA       ALA  11 109.757   4.822  -9.617
  100   1HB   ALA  11          1HB       ALA  11 111.345   3.864 -11.994
  101   2HB   ALA  11          2HB       ALA  11 110.174   2.806 -11.208
  102   3HB   ALA  11          3HB       ALA  11 111.543   3.438 -10.294
  103    H    THR  12           H        THR  12 110.322   6.072 -12.912
  104    HA   THR  12           HA       THR  12 112.554   7.741 -12.299
  105    HB   THR  12           HB       THR  12 111.687   7.071 -14.557
  106    HG1  THR  12           HG1      THR  12 112.568   8.814 -15.366
  107   1HG2  THR  12          1HG2      THR  12 109.796   8.224 -15.516
  108   2HG2  THR  12          2HG2      THR  12 109.634   9.245 -14.088
  109   3HG2  THR  12          3HG2      THR  12 109.278   7.521 -13.983
  110    H    ALA  13           H        ALA  13 109.040   8.403 -12.155
  111    HA   ALA  13           HA       ALA  13 109.307  11.189 -11.450
  112   1HB   ALA  13          1HB       ALA  13 107.104   9.161 -10.930
  113   2HB   ALA  13          2HB       ALA  13 107.269  10.146 -12.384
  114   3HB   ALA  13          3HB       ALA  13 106.916  10.913 -10.835
  115    H    ALA  14           H        ALA  14 108.652   8.268  -9.471
  116    HA   ALA  14           HA       ALA  14 108.570   9.446  -6.918
  117   1HB   ALA  14          1HB       ALA  14 109.007   7.218  -6.151
  118   2HB   ALA  14          2HB       ALA  14 109.936   6.831  -7.599
  119   3HB   ALA  14          3HB       ALA  14 108.186   7.032  -7.701
  120    H    ALA  15           H        ALA  15 111.448   8.282  -8.706
  121    HA   ALA  15           HA       ALA  15 113.338   9.035  -6.649
  122   1HB   ALA  15          1HB       ALA  15 114.952   8.373  -8.300
  123   2HB   ALA  15          2HB       ALA  15 113.825   8.688  -9.619
  124   3HB   ALA  15          3HB       ALA  15 113.554   7.324  -8.534
  125    H    ARG  16           H        ARG  16 111.681  10.832  -9.117
  126    HA   ARG  16           HA       ARG  16 113.690  13.025  -9.060
  127   1HB   ARG  16          2HB       ARG  16 111.342  12.198 -10.726
  128   2HB   ARG  16          1HB       ARG  16 111.822  13.896 -10.741
  129   1HG   ARG  16          2HG       ARG  16 114.094  13.288 -11.394
  130   2HG   ARG  16          1HG       ARG  16 113.694  11.574 -11.284
  131   1HD   ARG  16          2HD       ARG  16 113.612  12.361 -13.640
  132   2HD   ARG  16          1HD       ARG  16 112.000  11.869 -13.086
  133    HE   ARG  16           HE       ARG  16 112.847  14.729 -12.897
  134   1HH1  ARG  16          2HH1      ARG  16 110.235  12.698 -12.672
  135   2HH1  ARG  16          1HH1      ARG  16 109.219  13.562 -13.777
  136   1HH2  ARG  16          1HH2      ARG  16 111.755  15.659 -14.876
  137   2HH2  ARG  16          2HH2      ARG  16 110.081  15.241 -15.026
  138    H    GLY  17           H        GLY  17 111.834  12.299  -6.735
  139   1HA   GLY  17          2HA       GLY  17 110.537  13.452  -5.153
  140   2HA   GLY  17          1HA       GLY  17 111.260  14.918  -5.817
  141    H    GLN  18           H        GLN  18 109.237  12.604  -7.575
  142    HA   GLN  18           HA       GLN  18 107.267  14.817  -8.036
  143   1HB   GLN  18          2HB       GLN  18 108.270  12.471  -9.655
  144   2HB   GLN  18          1HB       GLN  18 106.823  13.350 -10.115
  145   1HG   GLN  18          2HG       GLN  18 109.470  14.716  -9.609
  146   2HG   GLN  18          1HG       GLN  18 108.971  14.159 -11.205
  147   1HE2  GLN  18          1HE2      GLN  18 109.380  16.978 -10.446
  148   2HE2  GLN  18          2HE2      GLN  18 107.882  17.754 -10.631
  149    H    VAL  19           H        VAL  19 105.868  14.321  -6.236
  150    HA   VAL  19           HA       VAL  19 104.877  11.586  -5.826
  151    HB   VAL  19           HB       VAL  19 104.453  14.317  -4.610
  152   1HG1  VAL  19          1HG1      VAL  19 102.851  13.359  -3.031
  153   2HG1  VAL  19          2HG1      VAL  19 102.950  11.797  -3.834
  154   3HG1  VAL  19          3HG1      VAL  19 102.232  13.175  -4.666
  155   1HG2  VAL  19          1HG2      VAL  19 105.536  13.375  -2.731
  156   2HG2  VAL  19          2HG2      VAL  19 106.408  12.690  -4.102
  157   3HG2  VAL  19          3HG2      VAL  19 105.199  11.724  -3.255
  158    H    GLU  20           H        GLU  20 103.227  14.696  -6.578
  159    HA   GLU  20           HA       GLU  20 100.680  13.713  -7.208
  160   1HB   GLU  20          2HB       GLU  20 102.323  15.950  -8.436
  161   2HB   GLU  20          1HB       GLU  20 100.586  15.765  -8.685
  162   1HG   GLU  20          2HG       GLU  20 100.110  16.117  -6.384
  163   2HG   GLU  20          1HG       GLU  20 101.795  15.894  -5.921
  164    H    THR  21           H        THR  21 103.413  14.147  -9.452
  165    HA   THR  21           HA       THR  21 102.248  13.206 -11.839
  166    HB   THR  21           HB       THR  21 104.928  12.311 -11.722
  167    HG1  THR  21           HG1      THR  21 105.056  13.303  -9.691
  168   1HG2  THR  21          1HG2      THR  21 105.206  13.896 -13.363
  169   2HG2  THR  21          2HG2      THR  21 104.349  15.138 -12.448
  170   3HG2  THR  21          3HG2      THR  21 103.443  13.900 -13.316
  171    H    VAL  22           H        VAL  22 103.580  11.369  -9.110
  172    HA   VAL  22           HA       VAL  22 103.329   8.787 -10.483
  173    HB   VAL  22           HB       VAL  22 103.856   9.610  -7.605
  174   1HG1  VAL  22          1HG1      VAL  22 102.933   7.266  -7.933
  175   2HG1  VAL  22          2HG1      VAL  22 104.537   7.336  -7.201
  176   3HG1  VAL  22          3HG1      VAL  22 104.363   6.921  -8.906
  177   1HG2  VAL  22          1HG2      VAL  22 105.890   8.425  -9.457
  178   2HG2  VAL  22          2HG2      VAL  22 106.117   9.553  -8.121
  179   3HG2  VAL  22          3HG2      VAL  22 105.468  10.127  -9.657
  180    H    ARG  23           H        ARG  23 101.413  10.764  -8.273
  181    HA   ARG  23           HA       ARG  23  99.562   8.821  -7.327
  182   1HB   ARG  23          2HB       ARG  23  99.332  11.772  -7.985
  183   2HB   ARG  23          1HB       ARG  23  98.075  10.876  -7.132
  184   1HG   ARG  23          2HG       ARG  23 100.945  10.920  -6.184
  185   2HG   ARG  23          1HG       ARG  23  99.763  12.122  -5.667
  186   1HD   ARG  23          2HD       ARG  23  98.847   9.308  -5.460
  187   2HD   ARG  23          1HD       ARG  23 100.150   9.773  -4.349
  188    HE   ARG  23           HE       ARG  23  97.934  11.702  -4.561
  189   1HH1  ARG  23          1HH2      ARG  23  99.851  11.391  -2.226
  190   2HH1  ARG  23          2HH2      ARG  23  98.828  10.648  -1.042
  191   1HH2  ARG  23          2HH1      ARG  23  96.397   9.724  -3.333
  192   2HH2  ARG  23          1HH1      ARG  23  96.874   9.704  -1.669
  193    H    GLN  24           H        GLN  24  99.634  10.694 -10.345
  194    HA   GLN  24           HA       GLN  24  97.042   9.708 -11.272
  195   1HB   GLN  24          2HB       GLN  24  98.036  11.917 -11.847
  196   2HB   GLN  24          1HB       GLN  24  99.335  11.088 -12.706
  197   1HG   GLN  24          2HG       GLN  24  97.309   9.908 -13.949
  198   2HG   GLN  24          1HG       GLN  24  96.446  11.362 -13.445
  199   1HE2  GLN  24          1HE2      GLN  24  99.562  10.437 -15.021
  200   2HE2  GLN  24          2HE2      GLN  24  99.591  11.770 -16.073
  201    H    LEU  25           H        LEU  25 100.437   9.156 -12.297
  202    HA   LEU  25           HA       LEU  25  99.984   7.226 -14.296
  203   1HB   LEU  25          2HB       LEU  25 102.143   8.173 -12.570
  204   2HB   LEU  25          1HB       LEU  25 102.324   6.465 -12.968
  205    HG   LEU  25           HG       LEU  25 101.781   8.610 -15.036
  206   1HD1  LEU  25          1HD1      LEU  25 104.264   8.081 -15.598
  207   2HD1  LEU  25          2HD1      LEU  25 104.353   7.479 -13.943
  208   3HD1  LEU  25          3HD1      LEU  25 103.931   9.165 -14.247
  209   1HD2  LEU  25          1HD2      LEU  25 102.627   5.700 -15.167
  210   2HD2  LEU  25          2HD2      LEU  25 102.643   6.788 -16.555
  211   3HD2  LEU  25          3HD2      LEU  25 101.119   6.396 -15.761
  212    H    LEU  26           H        LEU  26 100.707   6.578 -10.835
  213    HA   LEU  26           HA       LEU  26 100.411   3.764 -10.899
  214   1HB   LEU  26          2HB       LEU  26 100.245   5.965  -8.903
  215   2HB   LEU  26          1HB       LEU  26  99.578   4.410  -8.411
  216    HG   LEU  26           HG       LEU  26 102.329   4.683  -9.636
  217   1HD1  LEU  26          1HD1      LEU  26 102.053   4.200  -6.723
  218   2HD1  LEU  26          2HD1      LEU  26 101.677   5.836  -7.264
  219   3HD1  LEU  26          3HD1      LEU  26 103.261   5.139  -7.600
  220   1HD2  LEU  26          1HD2      LEU  26 102.560   2.441  -9.171
  221   2HD2  LEU  26          2HD2      LEU  26 100.804   2.476  -9.337
  222   3HD2  LEU  26          3HD2      LEU  26 101.539   2.528  -7.735
  223    H    GLU  27           H        GLU  27  97.936   6.109  -9.774
  224    HA   GLU  27           HA       GLU  27  95.788   4.242  -9.643
  225   1HB   GLU  27          2HB       GLU  27  96.242   6.857  -8.995
  226   2HB   GLU  27          1HB       GLU  27  95.178   7.044 -10.390
  227   1HG   GLU  27          2HG       GLU  27  94.555   5.197  -8.073
  228   2HG   GLU  27          1HG       GLU  27  93.986   6.864  -8.156
  229    H    ALA  28           H        ALA  28  97.218   5.920 -12.364
  230    HA   ALA  28           HA       ALA  28  94.964   5.618 -14.178
  231   1HB   ALA  28          1HB       ALA  28  97.934   6.123 -14.531
  232   2HB   ALA  28          2HB       ALA  28  96.647   7.329 -14.512
  233   3HB   ALA  28          3HB       ALA  28  96.771   6.192 -15.854
  234    H    GLY  29           H        GLY  29  98.192   4.057 -14.296
  235   1HA   GLY  29          2HA       GLY  29  97.279   1.397 -14.383
  236   2HA   GLY  29          1HA       GLY  29  97.392   1.980 -16.039
  237    H    ALA  30           H        ALA  30  99.446   2.580 -13.177
  238    HA   ALA  30           HA       ALA  30 101.854   2.142 -14.831
  239   1HB   ALA  30          1HB       ALA  30 101.768   2.690 -11.870
  240   2HB   ALA  30          2HB       ALA  30 101.341   3.960 -13.018
  241   3HB   ALA  30          3HB       ALA  30 102.950   3.237 -13.058
  242    H    ASP  31           H        ASP  31 103.653   0.798 -13.710
  243    HA   ASP  31           HA       ASP  31 102.452  -1.767 -12.734
  244   1HB   ASP  31          2HB       ASP  31 103.863  -1.386 -14.945
  245   2HB   ASP  31          1HB       ASP  31 105.228  -1.477 -13.832
  246    HA   PRO  32           HA       PRO  32 104.651  -0.302  -9.031
  247   1HB   PRO  32          2HB       PRO  32 103.312  -1.935  -7.289
  248   2HB   PRO  32          1HB       PRO  32 102.662  -0.384  -7.856
  249   1HG   PRO  32          2HG       PRO  32 102.028  -3.148  -8.765
  250   2HG   PRO  32          1HG       PRO  32 100.952  -1.761  -8.534
  251   1HD   PRO  32          2HD       PRO  32 101.846  -2.566 -10.975
  252   2HD   PRO  32          1HD       PRO  32 101.425  -0.881 -10.596
  253    H    ASN  33           H        ASN  33 104.353  -3.409 -10.514
  254    HA   ASN  33           HA       ASN  33 106.509  -4.538  -8.768
  255   1HB   ASN  33          2HB       ASN  33 104.535  -5.827 -10.683
  256   2HB   ASN  33          1HB       ASN  33 105.692  -6.699  -9.679
  257   1HD2  ASN  33          1HD2      ASN  33 105.475  -5.296  -7.242
  258   2HD2  ASN  33          2HD2      ASN  33 103.902  -5.467  -6.631
  259    H    ALA  34           H        ALA  34 106.811  -2.608 -11.108
  260    HA   ALA  34           HA       ALA  34 108.176  -4.303 -13.133
  261   1HB   ALA  34          1HB       ALA  34 107.074  -1.548 -12.895
  262   2HB   ALA  34          2HB       ALA  34 106.971  -2.683 -14.240
  263   3HB   ALA  34          3HB       ALA  34 108.447  -1.752 -13.984
  264    H    LEU  35           H        LEU  35 110.187  -4.907 -12.282
  265    HA   LEU  35           HA       LEU  35 111.834  -3.258 -10.602
  266   1HB   LEU  35          2HB       LEU  35 112.249  -5.676 -12.364
  267   2HB   LEU  35          1HB       LEU  35 113.598  -4.954 -11.486
  268    HG   LEU  35           HG       LEU  35 111.025  -5.980 -10.249
  269   1HD1  LEU  35          1HD1      LEU  35 112.223  -7.917 -10.691
  270   2HD1  LEU  35          2HD1      LEU  35 112.909  -7.478  -9.126
  271   3HD1  LEU  35          3HD1      LEU  35 113.781  -7.095 -10.611
  272   1HD2  LEU  35          1HD2      LEU  35 111.635  -4.370  -8.716
  273   2HD2  LEU  35          2HD2      LEU  35 113.323  -4.377  -9.226
  274   3HD2  LEU  35          3HD2      LEU  35 112.713  -5.658  -8.178
  275    H    ASN  36           H        ASN  36 112.955  -1.451 -11.206
  276    HA   ASN  36           HA       ASN  36 113.132  -0.486 -13.894
  277   1HB   ASN  36          2HB       ASN  36 114.795   0.111 -11.422
  278   2HB   ASN  36          1HB       ASN  36 114.711   1.133 -12.857
  279   1HD2  ASN  36          1HD2      ASN  36 113.293   0.607  -9.811
  280   2HD2  ASN  36          2HD2      ASN  36 111.862   1.487 -10.052
  281    H    ARG  37           H        ARG  37 115.447   0.034 -14.838
  282    HA   ARG  37           HA       ARG  37 116.755  -2.500 -15.394
  283   1HB   ARG  37          2HB       ARG  37 116.551   0.115 -16.475
  284   2HB   ARG  37          1HB       ARG  37 118.266  -0.166 -16.180
  285   1HG   ARG  37          2HG       ARG  37 117.398  -2.576 -17.264
  286   2HG   ARG  37          1HG       ARG  37 116.505  -1.368 -18.186
  287   1HD   ARG  37          2HD       ARG  37 118.504  -0.298 -18.924
  288   2HD   ARG  37          1HD       ARG  37 119.491  -1.144 -17.716
  289    HE   ARG  37           HE       ARG  37 119.062  -3.246 -18.955
  290   1HH1  ARG  37          2HH1      ARG  37 117.026  -1.002 -20.346
  291   2HH1  ARG  37          1HH1      ARG  37 117.481  -1.326 -21.985
  292   1HH2  ARG  37          1HH2      ARG  37 120.148  -3.367 -21.122
  293   2HH2  ARG  37          2HH2      ARG  37 119.248  -2.666 -22.425
  294    H    PHE  38           H        PHE  38 117.041  -0.344 -12.799
  295    HA   PHE  38           HA       PHE  38 119.949  -0.774 -12.392
  296   1HB   PHE  38          2HB       PHE  38 118.038   0.566 -10.481
  297   2HB   PHE  38          1HB       PHE  38 119.734   0.937 -10.784
  298    HD1  PHE  38           HD1      PHE  38 117.489   2.039 -14.276
  299    HD2  PHE  38           HD2      PHE  38 120.213   1.385 -13.649
  300    HE1  PHE  38           HE1      PHE  38 119.943   3.416 -13.767
  301    HE2  PHE  38           HE2      PHE  38 117.510   2.074 -14.283
  302    HZ   PHE  38           HZ       PHE  38 118.386   3.637 -11.653
  303    H    GLY  39           H        GLY  39 117.607  -2.872 -12.111
  304   1HA   GLY  39          2HA       GLY  39 117.078  -4.649 -10.689
  305   2HA   GLY  39          1HA       GLY  39 118.749  -4.512 -10.151
  306    H    ARG  40           H        ARG  40 116.631  -1.777  -9.773
  307    HA   ARG  40           HA       ARG  40 116.645  -2.234  -6.812
  308   1HB   ARG  40          2HB       ARG  40 117.127   0.031  -8.619
  309   2HB   ARG  40          1HB       ARG  40 116.009   0.424  -7.311
  310   1HG   ARG  40          2HG       ARG  40 117.729  -0.699  -5.750
  311   2HG   ARG  40          1HG       ARG  40 118.851  -0.574  -7.105
  312   1HD   ARG  40          2HD       ARG  40 118.702   1.818  -7.134
  313   2HD   ARG  40          1HD       ARG  40 117.302   1.809  -6.043
  314    HE   ARG  40           HE       ARG  40 118.781   1.043  -4.241
  315   1HH1  ARG  40          1HH2      ARG  40 120.636   0.400  -6.881
  316   2HH1  ARG  40          2HH2      ARG  40 122.052   1.247  -6.352
  317   1HH2  ARG  40          2HH1      ARG  40 120.458   2.793  -3.689
  318   2HH2  ARG  40          1HH1      ARG  40 121.953   2.601  -4.545
  319    H    ARG  41           H        ARG  41 114.682  -1.663  -5.659
  320    HA   ARG  41           HA       ARG  41 112.240  -2.444  -7.030
  321   1HB   ARG  41          2HB       ARG  41 112.619  -1.147  -4.310
  322   2HB   ARG  41          1HB       ARG  41 111.283  -2.178  -4.810
  323   1HG   ARG  41          2HG       ARG  41 114.180  -3.028  -4.512
  324   2HG   ARG  41          1HG       ARG  41 112.848  -3.475  -3.452
  325   1HD   ARG  41          2HD       ARG  41 112.863  -5.345  -4.819
  326   2HD   ARG  41          1HD       ARG  41 111.806  -4.311  -5.800
  327    HE   ARG  41           HE       ARG  41 113.690  -3.818  -7.237
  328   1HH1  ARG  41          1HH2      ARG  41 115.158  -4.737  -4.411
  329   2HH1  ARG  41          2HH2      ARG  41 116.323  -5.798  -5.128
  330   1HH2  ARG  41          2HH1      ARG  41 114.867  -5.709  -8.274
  331   2HH2  ARG  41          1HH1      ARG  41 116.161  -6.345  -7.313
  332    HA   PRO  42           HA       PRO  42 110.678   1.477  -8.238
  333   1HB   PRO  42          2HB       PRO  42 108.085   1.490  -7.341
  334   2HB   PRO  42          1HB       PRO  42 108.630   0.526  -8.727
  335   1HG   PRO  42          2HG       PRO  42 108.167  -0.314  -5.906
  336   2HG   PRO  42          1HG       PRO  42 107.771  -1.156  -7.413
  337   1HD   PRO  42          2HD       PRO  42 109.922  -1.801  -5.907
  338   2HD   PRO  42          1HD       PRO  42 109.905  -1.975  -7.675
  339    H    ILE  43           H        ILE  43 110.740   0.636  -4.897
  340    HA   ILE  43           HA       ILE  43 110.296   3.480  -4.093
  341    HB   ILE  43           HB       ILE  43 110.273   0.860  -2.558
  342   1HG1  ILE  43          2HG1      ILE  43 108.072   2.806  -3.329
  343   2HG1  ILE  43          1HG1      ILE  43 108.323   1.204  -4.023
  344   1HG2  ILE  43          1HG2      ILE  43 109.548   2.180  -0.634
  345   2HG2  ILE  43          2HG2      ILE  43 109.609   3.660  -1.590
  346   3HG2  ILE  43          3HG2      ILE  43 111.097   2.798  -1.206
  347   1HD1  ILE  43          1HD1      ILE  43 106.613   0.974  -2.347
  348   2HD1  ILE  43          2HD1      ILE  43 107.571   1.872  -1.168
  349   3HD1  ILE  43          3HD1      ILE  43 108.085   0.265  -1.679
  350    H    GLN  44           H        GLN  44 112.692   1.005  -4.439
  351    HA   GLN  44           HA       GLN  44 114.581   1.913  -2.455
  352   1HB   GLN  44          2HB       GLN  44 114.557   0.187  -4.906
  353   2HB   GLN  44          1HB       GLN  44 116.117   0.654  -4.224
  354   1HG   GLN  44          2HG       GLN  44 114.484  -0.112  -2.037
  355   2HG   GLN  44          1HG       GLN  44 114.264  -1.343  -3.279
  356   1HE2  GLN  44          1HE2      GLN  44 115.755  -3.004  -3.056
  357   2HE2  GLN  44          2HE2      GLN  44 117.354  -2.819  -2.517
  358    H    VAL  45           H        VAL  45 113.678   3.070  -5.610
  359    HA   VAL  45           HA       VAL  45 116.098   4.829  -5.708
  360    HB   VAL  45           HB       VAL  45 115.703   3.310  -7.611
  361   1HG1  VAL  45          1HG1      VAL  45 113.012   4.691  -7.649
  362   2HG1  VAL  45          2HG1      VAL  45 113.346   2.962  -7.551
  363   3HG1  VAL  45          3HG1      VAL  45 113.652   3.834  -9.052
  364   1HG2  VAL  45          1HG2      VAL  45 115.463   5.125  -9.413
  365   2HG2  VAL  45          2HG2      VAL  45 116.761   5.347  -8.241
  366   3HG2  VAL  45          3HG2      VAL  45 115.263   6.264  -8.083
  367    H    MET  46           H        MET  46 112.671   4.822  -5.201
  368    HA   MET  46           HA       MET  46 111.876   7.370  -6.135
  369   1HB   MET  46          2HB       MET  46 110.088   7.123  -4.505
  370   2HB   MET  46          1HB       MET  46 110.468   5.525  -5.145
  371   1HG   MET  46          2HG       MET  46 110.647   4.902  -2.966
  372   2HG   MET  46          1HG       MET  46 112.210   5.713  -3.021
  373   1HE   MET  46          1HE       MET  46 109.510   5.375  -0.554
  374   2HE   MET  46          2HE       MET  46 110.493   6.471   0.414
  375   3HE   MET  46          3HE       MET  46 111.272   5.213  -0.543
  376    H    MET  47           H        MET  47 111.516   9.357  -4.773
  377    HA   MET  47           HA       MET  47 113.929  10.288  -3.535
  378   1HB   MET  47          2HB       MET  47 111.615  11.365  -4.528
  379   2HB   MET  47          1HB       MET  47 111.355  11.559  -2.794
  380   1HG   MET  47          2HG       MET  47 114.073  12.275  -3.669
  381   2HG   MET  47          1HG       MET  47 112.814  13.289  -4.369
  382   1HE   MET  47          1HE       MET  47 112.008  15.488  -3.009
  383   2HE   MET  47          2HE       MET  47 111.046  14.986  -1.621
  384   3HE   MET  47          3HE       MET  47 110.896  14.119  -3.148
  385    H    MET  48           H        MET  48 114.436   8.702  -1.900
  386    HA   MET  48           HA       MET  48 112.823   7.653   0.118
  387   1HB   MET  48          2HB       MET  48 115.627   8.094  -0.450
  388   2HB   MET  48          1HB       MET  48 115.324   8.279   1.277
  389   1HG   MET  48          2HG       MET  48 115.817   5.940   0.794
  390   2HG   MET  48          1HG       MET  48 114.128   6.093   1.270
  391   1HE   MET  48          1HE       MET  48 114.389   3.188  -0.959
  392   2HE   MET  48          2HE       MET  48 112.812   3.827  -0.498
  393   3HE   MET  48          3HE       MET  48 114.154   3.906   0.641
  394    H    GLY  49           H        GLY  49 113.837  10.977  -0.226
  395   1HA   GLY  49          2HA       GLY  49 113.319  11.622   2.598
  396   2HA   GLY  49          1HA       GLY  49 113.788  12.768   1.344
  397    H    SER  50           H        SER  50 111.153  10.626   0.602
  398    HA   SER  50           HA       SER  50 109.159  12.722   1.338
  399   1HB   SER  50          2HB       SER  50 110.029  13.006  -1.006
  400   2HB   SER  50          1HB       SER  50 109.416  11.399  -1.377
  401    HG   SER  50           HG       SER  50 107.336  12.224  -0.634
  402    H    ALA  51           H        ALA  51 107.615  11.658   2.527
  403    HA   ALA  51           HA       ALA  51 107.292   8.763   2.427
  404   1HB   ALA  51          1HB       ALA  51 105.596   9.211   4.121
  405   2HB   ALA  51          2HB       ALA  51 105.529  10.910   3.654
  406   3HB   ALA  51          3HB       ALA  51 106.976  10.264   4.426
  407    H    GLN  52           H        GLN  52 105.776  11.520   0.891
  408    HA   GLN  52           HA       GLN  52 103.266  10.525   0.107
  409   1HB   GLN  52          2HB       GLN  52 105.322  12.333  -1.140
  410   2HB   GLN  52          1HB       GLN  52 103.787  12.016  -1.945
  411   1HG   GLN  52          2HG       GLN  52 102.772  12.613   0.401
  412   2HG   GLN  52          1HG       GLN  52 104.306  13.438   0.631
  413   1HE2  GLN  52          1HE2      GLN  52 104.919  14.793  -1.530
  414   2HE2  GLN  52          2HE2      GLN  52 103.647  15.745  -2.130
  415    H    VAL  53           H        VAL  53 106.456   9.683  -1.085
  416    HA   VAL  53           HA       VAL  53 105.353   8.233  -3.416
  417    HB   VAL  53           HB       VAL  53 108.183   7.806  -2.814
  418   1HG1  VAL  53          1HG1      VAL  53 107.141   7.524  -5.025
  419   2HG1  VAL  53          2HG1      VAL  53 108.422   8.736  -5.081
  420   3HG1  VAL  53          3HG1      VAL  53 106.732   9.239  -5.054
  421   1HG2  VAL  53          1HG2      VAL  53 107.096  10.621  -2.759
  422   2HG2  VAL  53          2HG2      VAL  53 108.706  10.291  -3.394
  423   3HG2  VAL  53          3HG2      VAL  53 108.320   9.888  -1.724
  424    H    ALA  54           H        ALA  54 107.214   7.442  -0.458
  425    HA   ALA  54           HA       ALA  54 107.348   4.639  -0.763
  426   1HB   ALA  54          1HB       ALA  54 106.825   6.035   1.864
  427   2HB   ALA  54          2HB       ALA  54 108.338   6.277   0.991
  428   3HB   ALA  54          3HB       ALA  54 107.888   4.664   1.545
  429    H    GLU  55           H        GLU  55 104.684   6.658   0.429
  430    HA   GLU  55           HA       GLU  55 103.041   4.403   1.288
  431   1HB   GLU  55          2HB       GLU  55 103.034   6.790   2.158
  432   2HB   GLU  55          1HB       GLU  55 102.234   7.253   0.655
  433   1HG   GLU  55          2HG       GLU  55 100.461   6.882   2.192
  434   2HG   GLU  55          1HG       GLU  55 100.514   5.422   1.202
  435    H    LEU  56           H        LEU  56 102.918   6.675  -1.489
  436    HA   LEU  56           HA       LEU  56 100.635   5.682  -2.797
  437   1HB   LEU  56          2HB       LEU  56 102.568   7.547  -3.259
  438   2HB   LEU  56          1HB       LEU  56 102.981   6.350  -4.484
  439    HG   LEU  56           HG       LEU  56 100.398   7.876  -4.148
  440   1HD1  LEU  56          1HD1      LEU  56 102.663   7.800  -6.012
  441   2HD1  LEU  56          2HD1      LEU  56 101.468   9.068  -5.750
  442   3HD1  LEU  56          3HD1      LEU  56 101.099   7.719  -6.823
  443   1HD2  LEU  56          1HD2      LEU  56 100.874   5.201  -5.431
  444   2HD2  LEU  56          2HD2      LEU  56  99.740   6.319  -6.186
  445   3HD2  LEU  56          3HD2      LEU  56  99.468   5.772  -4.533
  446    H    LEU  57           H        LEU  57 103.972   4.806  -3.765
  447    HA   LEU  57           HA       LEU  57 103.372   2.650  -5.443
  448   1HB   LEU  57          2HB       LEU  57 105.679   3.138  -3.540
  449   2HB   LEU  57          1HB       LEU  57 105.704   1.910  -4.806
  450    HG   LEU  57           HG       LEU  57 104.807   4.382  -5.958
  451   1HD1  LEU  57          1HD1      LEU  57 106.921   4.638  -3.922
  452   2HD1  LEU  57          2HD1      LEU  57 105.942   5.888  -4.692
  453   3HD1  LEU  57          3HD1      LEU  57 107.379   5.268  -5.505
  454   1HD2  LEU  57          1HD2      LEU  57 107.522   3.115  -6.330
  455   2HD2  LEU  57          2HD2      LEU  57 106.510   3.919  -7.530
  456   3HD2  LEU  57          3HD2      LEU  57 106.061   2.325  -6.924
  457    H    LEU  58           H        LEU  58 103.996   2.506  -1.912
  458    HA   LEU  58           HA       LEU  58 103.765  -0.287  -1.550
  459   1HB   LEU  58          2HB       LEU  58 104.466   1.467   0.111
  460   2HB   LEU  58          1HB       LEU  58 102.769   1.920   0.279
  461    HG   LEU  58           HG       LEU  58 102.743  -0.850   0.581
  462   1HD1  LEU  58          1HD1      LEU  58 104.873   0.098   2.457
  463   2HD1  LEU  58          2HD1      LEU  58 105.347  -0.372   0.825
  464   3HD1  LEU  58          3HD1      LEU  58 104.536  -1.533   1.877
  465   1HD2  LEU  58          1HD2      LEU  58 102.437   1.556   2.280
  466   2HD2  LEU  58          2HD2      LEU  58 102.753   0.059   3.156
  467   3HD2  LEU  58          3HD2      LEU  58 101.360   0.174   2.082
  468    H    LEU  59           H        LEU  59 101.197   2.198  -1.559
  469    HA   LEU  59           HA       LEU  59  99.000   0.495  -0.929
  470   1HB   LEU  59          2HB       LEU  59  98.984   2.969  -0.927
  471   2HB   LEU  59          1HB       LEU  59  99.165   2.971  -2.682
  472    HG   LEU  59           HG       LEU  59  97.024   1.670  -2.844
  473   1HD1  LEU  59          1HD1      LEU  59  97.030   0.685  -0.603
  474   2HD1  LEU  59          2HD1      LEU  59  95.573   1.655  -0.818
  475   3HD1  LEU  59          3HD1      LEU  59  96.922   2.288   0.125
  476   1HD2  LEU  59          1HD2      LEU  59  97.209   4.213  -2.976
  477   2HD2  LEU  59          2HD2      LEU  59  96.668   4.249  -1.299
  478   3HD2  LEU  59          3HD2      LEU  59  95.616   3.588  -2.550
  479    H    HIS  60           H        HIS  60 100.803   0.949  -3.903
  480    HA   HIS  60           HA       HIS  60  98.771  -0.530  -5.493
  481   1HB   HIS  60          2HB       HIS  60 101.281   1.052  -6.036
  482   2HB   HIS  60          1HB       HIS  60 100.584   0.026  -7.289
  483    HD1  HIS  60           HD1      HIS  60  98.639   0.966  -8.571
  484    HD2  HIS  60           HD2      HIS  60  99.361   3.090  -5.058
  485    HE1  HIS  60           HE1      HIS  60  97.089   2.968  -8.615
  486    H    GLY  61           H        GLY  61 100.562  -1.747  -3.318
  487   1HA   GLY  61          2HA       GLY  61 101.732  -3.739  -2.999
  488   2HA   GLY  61          1HA       GLY  61 101.058  -4.239  -4.545
  489    H    ALA  62           H        ALA  62 103.437  -1.747  -3.564
  490    HA   ALA  62           HA       ALA  62 105.053  -2.109  -5.935
  491   1HB   ALA  62          1HB       ALA  62 104.892  -0.051  -4.524
  492   2HB   ALA  62          2HB       ALA  62 106.559  -0.578  -4.738
  493   3HB   ALA  62          3HB       ALA  62 105.718  -0.907  -3.223
  494    H    GLU  63           H        GLU  63 107.636  -2.154  -4.355
  495    HA   GLU  63           HA       GLU  63 107.645  -5.055  -3.596
  496   1HB   GLU  63          2HB       GLU  63 108.990  -3.607  -5.718
  497   2HB   GLU  63          1HB       GLU  63 110.178  -4.329  -4.632
  498   1HG   GLU  63          2HG       GLU  63 109.817  -6.157  -5.973
  499   2HG   GLU  63          1HG       GLU  63 108.484  -6.410  -4.846
  500    HA   PRO  64           HA       PRO  64 109.597  -2.434  -0.318
  501   1HB   PRO  64          2HB       PRO  64 107.885  -3.056   1.717
  502   2HB   PRO  64          1HB       PRO  64 107.594  -1.719   0.589
  503   1HG   PRO  64          2HG       PRO  64 106.316  -4.372   0.733
  504   2HG   PRO  64          1HG       PRO  64 105.676  -2.837   0.133
  505   1HD   PRO  64          2HD       PRO  64 106.637  -4.969  -1.421
  506   2HD   PRO  64          1HD       PRO  64 106.276  -3.327  -1.988
  507    H    ASN  65           H        ASN  65 108.439  -5.735  -0.485
  508    HA   ASN  65           HA       ASN  65 110.242  -6.630   1.700
  509   1HB   ASN  65          2HB       ASN  65 107.811  -7.357   1.318
  510   2HB   ASN  65          1HB       ASN  65 108.411  -8.259  -0.075
  511   1HD2  ASN  65          1HD2      ASN  65 107.530  -8.823   3.008
  512   2HD2  ASN  65          2HD2      ASN  65 108.633 -10.041   3.434
  513    H    CYS  66           H        CYS  66 109.931  -6.717  -1.810
  514    HA   CYS  66           HA       CYS  66 111.824  -8.784  -2.370
  515   1HB   CYS  66          2HB       CYS  66 110.330  -6.715  -3.725
  516   2HB   CYS  66          1HB       CYS  66 111.919  -6.933  -4.441
  517    HG   CYS  66           HG       CYS  66 111.305  -9.534  -4.654
  518    H    ALA  67           H        ALA  67 114.070  -8.731  -2.539
  519    HA   ALA  67           HA       ALA  67 115.409  -6.089  -2.043
  520   1HB   ALA  67          1HB       ALA  67 116.269  -8.807  -1.015
  521   2HB   ALA  67          2HB       ALA  67 115.260  -7.699  -0.085
  522   3HB   ALA  67          3HB       ALA  67 116.901  -7.234  -0.530
  523    H    ASP  68           H        ASP  68 117.861  -6.349  -2.596
  524    HA   ASP  68           HA       ASP  68 118.075  -7.207  -5.376
  525   1HB   ASP  68          2HB       ASP  68 119.138  -5.206  -4.157
  526   2HB   ASP  68          1HB       ASP  68 120.281  -6.366  -3.482
  527    HA   PRO  69           HA       PRO  69 119.490 -11.288  -4.309
  528   1HB   PRO  69          2HB       PRO  69 120.203 -12.109  -6.812
  529   2HB   PRO  69          1HB       PRO  69 118.515 -11.985  -6.281
  530   1HG   PRO  69          2HG       PRO  69 120.081 -10.190  -8.034
  531   2HG   PRO  69          1HG       PRO  69 118.353 -10.567  -8.052
  532   1HD   PRO  69          2HD       PRO  69 119.499  -8.251  -7.018
  533   2HD   PRO  69          1HD       PRO  69 117.859  -8.840  -6.674
  534    H    ALA  70           H        ALA  70 121.486  -9.012  -6.134
  535    HA   ALA  70           HA       ALA  70 123.945 -10.549  -5.939
  536   1HB   ALA  70          1HB       ALA  70 123.429  -7.593  -6.398
  537   2HB   ALA  70          2HB       ALA  70 123.451  -8.829  -7.656
  538   3HB   ALA  70          3HB       ALA  70 124.927  -8.447  -6.769
  539    H    THR  71           H        THR  71 122.254  -8.354  -3.796
  540    HA   THR  71           HA       THR  71 124.457  -8.698  -1.816
  541    HB   THR  71           HB       THR  71 123.155  -6.021  -2.321
  542    HG1  THR  71           HG1      THR  71 125.574  -6.977  -3.446
  543   1HG2  THR  71          1HG2      THR  71 124.317  -5.963  -0.293
  544   2HG2  THR  71          2HG2      THR  71 125.538  -5.396  -1.433
  545   3HG2  THR  71          3HG2      THR  71 125.569  -7.065  -0.867
  546    H    LEU  72           H        LEU  72 121.448  -9.489  -2.258
  547    HA   LEU  72           HA       LEU  72 119.463  -9.579  -0.937
  548   1HB   LEU  72          2HB       LEU  72 121.931 -10.181   0.539
  549   2HB   LEU  72          1HB       LEU  72 120.571  -9.791   1.592
  550    HG   LEU  72           HG       LEU  72 120.464 -11.818  -0.657
  551   1HD1  LEU  72          1HD1      LEU  72 121.980 -12.347   1.350
  552   2HD1  LEU  72          2HD1      LEU  72 120.719 -13.521   0.978
  553   3HD1  LEU  72          3HD1      LEU  72 120.502 -12.386   2.310
  554   1HD2  LEU  72          1HD2      LEU  72 118.540 -10.797   1.413
  555   2HD2  LEU  72          2HD2      LEU  72 118.410 -12.469   0.865
  556   3HD2  LEU  72          3HD2      LEU  72 118.258 -11.147  -0.292
  557    H    THR  73           H        THR  73 120.332  -6.827  -1.474
  558    HA   THR  73           HA       THR  73 120.060  -5.360   1.065
  559    HB   THR  73           HB       THR  73 119.984  -3.536  -0.994
  560    HG1  THR  73           HG1      THR  73 121.111  -4.321  -2.668
  561   1HG2  THR  73          1HG2      THR  73 122.488  -3.473  -0.687
  562   2HG2  THR  73          2HG2      THR  73 122.340  -4.937   0.284
  563   3HG2  THR  73          3HG2      THR  73 121.571  -3.444   0.819
  564    H    ARG  74           H        ARG  74 118.127  -4.717   1.878
  565    HA   ARG  74           HA       ARG  74 115.662  -5.012   0.258
  566   1HB   ARG  74          2HB       ARG  74 116.492  -4.943   3.081
  567   2HB   ARG  74          1HB       ARG  74 114.953  -4.148   2.767
  568   1HG   ARG  74          2HG       ARG  74 114.652  -6.403   1.273
  569   2HG   ARG  74          1HG       ARG  74 115.663  -7.017   2.583
  570   1HD   ARG  74          2HD       ARG  74 113.780  -5.438   3.907
  571   2HD   ARG  74          1HD       ARG  74 112.840  -6.256   2.643
  572    HE   ARG  74           HE       ARG  74 114.126  -7.561   4.904
  573   1HH1  ARG  74          2HH1      ARG  74 111.944  -8.011   2.470
  574   2HH1  ARG  74          1HH1      ARG  74 112.361  -9.656   2.123
  575   1HH2  ARG  74          1HH2      ARG  74 115.215  -9.625   4.095
  576   2HH2  ARG  74          2HH2      ARG  74 114.214 -10.570   3.045
  577    HA   PRO  75           HA       PRO  75 115.026  -0.663  -0.251
  578   1HB   PRO  75          2HB       PRO  75 112.386  -0.312   0.350
  579   2HB   PRO  75          1HB       PRO  75 112.935  -1.142  -1.120
  580   1HG   PRO  75          2HG       PRO  75 111.879  -2.277   1.409
  581   2HG   PRO  75          1HG       PRO  75 111.667  -2.834  -0.256
  582   1HD   PRO  75          2HD       PRO  75 113.409  -3.954   1.560
  583   2HD   PRO  75          1HD       PRO  75 113.565  -4.088  -0.205
  584    H    VAL  76           H        VAL  76 114.326  -2.071   2.855
  585    HA   VAL  76           HA       VAL  76 113.657   0.258   4.368
  586    HB   VAL  76           HB       VAL  76 115.173  -2.269   5.103
  587   1HG1  VAL  76          1HG1      VAL  76 113.670  -0.299   6.855
  588   2HG1  VAL  76          2HG1      VAL  76 115.425  -0.472   6.789
  589   3HG1  VAL  76          3HG1      VAL  76 114.431  -1.794   7.401
  590   1HG2  VAL  76          1HG2      VAL  76 112.902  -2.592   4.089
  591   2HG2  VAL  76          2HG2      VAL  76 112.228  -1.585   5.370
  592   3HG2  VAL  76          3HG2      VAL  76 112.989  -3.125   5.768
  593    H    HIS  77           H        HIS  77 116.759  -1.051   3.290
  594    HA   HIS  77           HA       HIS  77 118.504   0.491   4.937
  595   1HB   HIS  77          2HB       HIS  77 118.686  -0.702   2.161
  596   2HB   HIS  77          1HB       HIS  77 120.066   0.082   2.932
  597    HD1  HIS  77           HD1      HIS  77 117.836  -2.935   3.205
  598    HD2  HIS  77           HD2      HIS  77 121.192  -1.360   5.109
  599    HE1  HIS  77           HE1      HIS  77 118.722  -4.760   4.721
  600    H    ASP  78           H        ASP  78 117.156   1.195   1.694
  601    HA   ASP  78           HA       ASP  78 118.417   3.722   1.298
  602   1HB   ASP  78          2HB       ASP  78 115.798   2.502   0.386
  603   2HB   ASP  78          1HB       ASP  78 116.398   4.039  -0.237
  604    H    ALA  79           H        ALA  79 115.069   3.075   2.430
  605    HA   ALA  79           HA       ALA  79 114.319   5.696   3.115
  606   1HB   ALA  79          1HB       ALA  79 113.598   3.401   4.901
  607   2HB   ALA  79          2HB       ALA  79 113.163   3.294   3.196
  608   3HB   ALA  79          3HB       ALA  79 112.551   4.624   4.180
  609    H    ALA  80           H        ALA  80 116.405   3.444   4.835
  610    HA   ALA  80           HA       ALA  80 116.550   5.104   7.263
  611   1HB   ALA  80          1HB       ALA  80 118.392   2.847   6.478
  612   2HB   ALA  80          2HB       ALA  80 116.726   2.515   6.946
  613   3HB   ALA  80          3HB       ALA  80 117.823   3.292   8.087
  614    H    ARG  81           H        ARG  81 118.255   4.737   4.239
  615    HA   ARG  81           HA       ARG  81 120.820   5.773   4.915
  616   1HB   ARG  81          2HB       ARG  81 119.592   4.781   2.717
  617   2HB   ARG  81          1HB       ARG  81 119.557   6.497   2.316
  618   1HG   ARG  81          2HG       ARG  81 122.096   5.219   3.303
  619   2HG   ARG  81          1HG       ARG  81 121.639   5.104   1.604
  620   1HD   ARG  81          2HD       ARG  81 121.337   7.670   1.692
  621   2HD   ARG  81          1HD       ARG  81 122.254   7.590   3.210
  622    HE   ARG  81           HE       ARG  81 123.287   6.750   0.541
  623   1HH1  ARG  81          1HH2      ARG  81 123.995   8.644   3.138
  624   2HH1  ARG  81          2HH2      ARG  81 125.576   8.006   3.438
  625   1HH2  ARG  81          2HH1      ARG  81 125.203   5.341   1.250
  626   2HH2  ARG  81          1HH1      ARG  81 126.260   6.135   2.368
  627    H    GLU  82           H        GLU  82 117.761   7.401   4.138
  628    HA   GLU  82           HA       GLU  82 119.054  10.069   4.341
  629   1HB   GLU  82          2HB       GLU  82 117.258   9.169   2.633
  630   2HB   GLU  82          1HB       GLU  82 116.122   9.546   3.929
  631   1HG   GLU  82          2HG       GLU  82 116.320  11.483   2.462
  632   2HG   GLU  82          1HG       GLU  82 117.058  11.862   4.019
  633    H    GLY  83           H        GLY  83 117.185   7.861   6.268
  634   1HA   GLY  83          2HA       GLY  83 116.826   8.072   8.624
  635   2HA   GLY  83          1HA       GLY  83 117.216   9.788   8.507
  636    H    PHE  84           H        PHE  84 114.946   8.217   6.350
  637    HA   PHE  84           HA       PHE  84 112.797  10.011   7.356
  638   1HB   PHE  84          2HB       PHE  84 113.630   9.699   4.906
  639   2HB   PHE  84          1HB       PHE  84 112.737   8.182   4.949
  640    HD1  PHE  84           HD1      PHE  84 110.694   9.253   3.284
  641    HD2  PHE  84           HD2      PHE  84 112.019  12.026   4.188
  642    HE1  PHE  84           HE1      PHE  84 111.939  12.050   4.109
  643    HE2  PHE  84           HE2      PHE  84 109.168  10.753   4.905
  644    HZ   PHE  84           HZ       PHE  84 111.234  10.631   6.494
  645    H    LEU  85           H        LEU  85 112.152   8.813   9.258
  646    HA   LEU  85           HA       LEU  85 111.614   5.992   9.290
  647   1HB   LEU  85          2HB       LEU  85 111.329   8.348  10.984
  648   2HB   LEU  85          1HB       LEU  85 109.962   7.253  11.178
  649    HG   LEU  85           HG       LEU  85 112.866   6.394  11.326
  650   1HD1  LEU  85          1HD1      LEU  85 112.335   6.148  13.785
  651   2HD1  LEU  85          2HD1      LEU  85 110.841   7.036  13.487
  652   3HD1  LEU  85          3HD1      LEU  85 112.400   7.817  13.220
  653   1HD2  LEU  85          1HD2      LEU  85 111.541   4.448  12.556
  654   2HD2  LEU  85          2HD2      LEU  85 111.692   4.457  10.798
  655   3HD2  LEU  85          3HD2      LEU  85 110.206   5.029  11.559
  656    H    ASP  86           H        ASP  86 109.788   8.719   8.108
  657    HA   ASP  86           HA       ASP  86 107.128   7.754   8.267
  658   1HB   ASP  86          2HB       ASP  86 108.677   9.524   6.385
  659   2HB   ASP  86          1HB       ASP  86 106.967   9.201   6.100
  660    H    THR  87           H        THR  87 109.630   7.146   5.797
  661    HA   THR  87           HA       THR  87 107.914   5.539   4.089
  662    HB   THR  87           HB       THR  87 110.925   5.794   4.383
  663    HG1  THR  87           HG1      THR  87 109.617   7.669   3.802
  664   1HG2  THR  87          1HG2      THR  87 109.981   5.079   1.744
  665   2HG2  THR  87          2HG2      THR  87 109.455   3.880   2.924
  666   3HG2  THR  87          3HG2      THR  87 111.169   4.262   2.754
  667    H    LEU  88           H        LEU  88 110.205   4.838   6.718
  668    HA   LEU  88           HA       LEU  88 110.302   1.993   6.427
  669   1HB   LEU  88          2HB       LEU  88 110.723   4.010   8.614
  670   2HB   LEU  88          1HB       LEU  88 110.752   2.294   9.018
  671    HG   LEU  88           HG       LEU  88 112.377   2.125   6.956
  672   1HD1  LEU  88          1HD1      LEU  88 112.103   4.430   6.186
  673   2HD1  LEU  88          2HD1      LEU  88 113.759   4.197   6.744
  674   3HD1  LEU  88          3HD1      LEU  88 112.596   5.042   7.764
  675   1HD2  LEU  88          1HD2      LEU  88 114.238   3.045   8.655
  676   2HD2  LEU  88          2HD2      LEU  88 113.384   1.532   8.948
  677   3HD2  LEU  88          3HD2      LEU  88 112.870   3.007   9.767
  678    H    VAL  89           H        VAL  89 108.117   4.111   8.291
  679    HA   VAL  89           HA       VAL  89 106.592   2.068   9.580
  680    HB   VAL  89           HB       VAL  89 105.812   4.839   8.603
  681   1HG1  VAL  89          1HG1      VAL  89 104.034   4.760  10.219
  682   2HG1  VAL  89          2HG1      VAL  89 104.635   3.246  10.896
  683   3HG1  VAL  89          3HG1      VAL  89 103.925   3.270   9.281
  684   1HG2  VAL  89          1HG2      VAL  89 107.862   4.433  10.210
  685   2HG2  VAL  89          2HG2      VAL  89 106.611   4.135  11.416
  686   3HG2  VAL  89          3HG2      VAL  89 106.692   5.694  10.596
  687    H    VAL  90           H        VAL  90 106.117   3.753   6.470
  688    HA   VAL  90           HA       VAL  90 103.691   2.583   5.665
  689    HB   VAL  90           HB       VAL  90 106.142   3.346   4.043
  690   1HG1  VAL  90          1HG1      VAL  90 104.619   3.619   2.177
  691   2HG1  VAL  90          2HG1      VAL  90 103.232   3.243   3.199
  692   3HG1  VAL  90          3HG1      VAL  90 104.412   1.990   2.819
  693   1HG2  VAL  90          1HG2      VAL  90 105.518   5.532   4.262
  694   2HG2  VAL  90          2HG2      VAL  90 104.719   4.957   5.725
  695   3HG2  VAL  90          3HG2      VAL  90 103.798   5.146   4.234
  696    H    LEU  91           H        LEU  91 107.031   1.406   5.200
  697    HA   LEU  91           HA       LEU  91 106.390  -0.947   3.703
  698   1HB   LEU  91          2HB       LEU  91 108.639   0.141   5.325
  699   2HB   LEU  91          1HB       LEU  91 108.662  -1.599   5.032
  700    HG   LEU  91           HG       LEU  91 108.220  -1.004   2.560
  701   1HD1  LEU  91          1HD1      LEU  91 107.620   1.383   3.108
  702   2HD1  LEU  91          2HD1      LEU  91 108.852   1.222   1.857
  703   3HD1  LEU  91          3HD1      LEU  91 109.317   1.659   3.502
  704   1HD2  LEU  91          1HD2      LEU  91 110.585  -0.779   2.126
  705   2HD2  LEU  91          2HD2      LEU  91 110.411  -1.786   3.565
  706   3HD2  LEU  91          3HD2      LEU  91 110.867  -0.089   3.727
  707    H    HIS  92           H        HIS  92 106.843  -0.440   7.214
  708    HA   HIS  92           HA       HIS  92 106.261  -3.183   7.939
  709   1HB   HIS  92          2HB       HIS  92 107.404  -1.063   9.144
  710   2HB   HIS  92          1HB       HIS  92 105.781  -0.917   9.819
  711    HD1  HIS  92           HD1      HIS  92 106.438  -1.730  12.176
  712    HD2  HIS  92           HD2      HIS  92 107.355  -4.471   9.174
  713    HE1  HIS  92           HE1      HIS  92 107.047  -3.892  13.344
  714    H    ARG  93           H        ARG  93 104.286  -0.510   7.018
  715    HA   ARG  93           HA       ARG  93 101.899  -1.227   8.514
  716   1HB   ARG  93          2HB       ARG  93 102.810   0.937   7.112
  717   2HB   ARG  93          1HB       ARG  93 101.672   0.250   5.956
  718   1HG   ARG  93          2HG       ARG  93  99.844   0.512   7.391
  719   2HG   ARG  93          1HG       ARG  93 100.861   0.583   8.831
  720   1HD   ARG  93          2HD       ARG  93 101.670   2.798   8.222
  721   2HD   ARG  93          1HD       ARG  93 100.807   2.722   6.673
  722    HE   ARG  93           HE       ARG  93  98.731   2.330   8.280
  723   1HH1  ARG  93          1HH2      ARG  93 100.693   4.972   7.788
  724   2HH1  ARG  93          2HH2      ARG  93 100.195   5.845   9.198
  725   1HH2  ARG  93          2HH1      ARG  93  98.404   3.195  10.534
  726   2HH2  ARG  93          1HH1      ARG  93  98.898   4.840  10.751
  727    H    ALA  94           H        ALA  94 102.281  -1.207   4.959
  728    HA   ALA  94           HA       ALA  94 100.196  -3.052   4.451
  729   1HB   ALA  94          1HB       ALA  94 102.609  -2.035   2.966
  730   2HB   ALA  94          2HB       ALA  94 100.907  -1.676   2.678
  731   3HB   ALA  94          3HB       ALA  94 101.563  -3.250   2.230
  732    H    GLY  95           H        GLY  95 103.561  -3.827   3.591
  733   1HA   GLY  95          2HA       GLY  95 103.783  -6.127   5.310
  734   2HA   GLY  95          1HA       GLY  95 103.283  -6.618   3.689
  735    H    ALA  96           H        ALA  96 105.935  -5.797   5.637
  736    HA   ALA  96           HA       ALA  96 107.801  -6.219   3.403
  737   1HB   ALA  96          1HB       ALA  96 106.995  -3.752   3.481
  738   2HB   ALA  96          2HB       ALA  96 108.734  -4.035   3.418
  739   3HB   ALA  96          3HB       ALA  96 107.963  -3.627   4.950
  740    H    ARG  97           H        ARG  97 109.280  -7.576   4.343
  741    HA   ARG  97           HA       ARG  97 109.574  -7.999   7.143
  742   1HB   ARG  97          2HB       ARG  97 110.218  -9.559   5.316
  743   2HB   ARG  97          1HB       ARG  97 111.543  -8.477   4.881
  744   1HG   ARG  97          2HG       ARG  97 112.539  -8.760   7.103
  745   2HG   ARG  97          1HG       ARG  97 111.194  -9.789   7.593
  746   1HD   ARG  97          2HD       ARG  97 112.779 -10.515   5.137
  747   2HD   ARG  97          1HD       ARG  97 113.407 -10.926   6.746
  748    HE   ARG  97           HE       ARG  97 111.160 -12.208   5.468
  749   1HH1  ARG  97          1HH2      ARG  97 113.034 -12.177   8.220
  750   2HH1  ARG  97          2HH2      ARG  97 111.805 -12.760   9.292
  751   1HH2  ARG  97          2HH1      ARG  97 109.255 -12.461   6.963
  752   2HH2  ARG  97          1HH1      ARG  97 109.667 -12.920   8.581
  753    H    LEU  98           H        LEU  98 110.604  -6.772   8.661
  754    HA   LEU  98           HA       LEU  98 112.543  -4.688   7.722
  755   1HB   LEU  98          2HB       LEU  98 110.231  -4.362   9.055
  756   2HB   LEU  98          1HB       LEU  98 111.294  -4.651  10.432
  757    HG   LEU  98           HG       LEU  98 112.682  -2.872   8.717
  758   1HD1  LEU  98          1HD1      LEU  98 111.049  -0.973   8.659
  759   2HD1  LEU  98          2HD1      LEU  98 109.785  -2.095   9.162
  760   3HD1  LEU  98          3HD1      LEU  98 110.591  -2.314   7.609
  761   1HD2  LEU  98          1HD2      LEU  98 111.210  -1.807  11.074
  762   2HD2  LEU  98          2HD2      LEU  98 112.923  -1.690  10.671
  763   3HD2  LEU  98          3HD2      LEU  98 112.282  -3.176  11.372
  764    H    ASP  99           H        ASP  99 113.950  -6.868   7.819
  765    HA   ASP  99           HA       ASP  99 115.701  -6.612  10.116
  766   1HB   ASP  99          2HB       ASP  99 115.231  -8.892  11.025
  767   2HB   ASP  99          1HB       ASP  99 113.840  -7.817  11.165
  768    H    VAL 100           H        VAL 100 116.570  -6.364   7.660
  769    HA   VAL 100           HA       VAL 100 117.842  -8.990   6.969
  770    HB   VAL 100           HB       VAL 100 115.935  -8.255   5.455
  771   1HG1  VAL 100          1HG1      VAL 100 115.870  -6.185   4.572
  772   2HG1  VAL 100          2HG1      VAL 100 117.564  -6.257   4.088
  773   3HG1  VAL 100          3HG1      VAL 100 117.135  -5.764   5.726
  774   1HG2  VAL 100          1HG2      VAL 100 118.138  -9.562   4.801
  775   2HG2  VAL 100          2HG2      VAL 100 118.488  -8.092   3.891
  776   3HG2  VAL 100          3HG2      VAL 100 117.026  -9.015   3.546
  777    H    CYS 101           H        CYS 101 119.822  -8.527   5.490
  778    HA   CYS 101           HA       CYS 101 121.145  -5.935   6.182
  779   1HB   CYS 101          2HB       CYS 101 122.925  -8.287   6.086
  780   2HB   CYS 101          1HB       CYS 101 122.862  -6.986   7.269
  781    HG   CYS 101           HG       CYS 101 122.037  -9.533   8.096
  782    H    ASP 102           H        ASP 102 122.938  -5.463   4.612
  783    HA   ASP 102           HA       ASP 102 122.163  -6.082   1.898
  784   1HB   ASP 102          2HB       ASP 102 124.753  -4.947   3.017
  785   2HB   ASP 102          1HB       ASP 102 124.177  -4.773   1.361
  786    H    ALA 103           H        ALA 103 122.215  -8.528   2.364
  787    HA   ALA 103           HA       ALA 103 123.207 -10.628   1.986
  788   1HB   ALA 103          1HB       ALA 103 124.580  -8.611   0.305
  789   2HB   ALA 103          2HB       ALA 103 123.839 -10.143  -0.158
  790   3HB   ALA 103          3HB       ALA 103 125.465 -10.120   0.522
  791    H    TRP 104           H        TRP 104 126.248  -8.804   2.032
  792    HA   TRP 104           HA       TRP 104 126.938 -10.103   4.648
  793   1HB   TRP 104          2HB       TRP 104 129.341  -9.884   3.412
  794   2HB   TRP 104          1HB       TRP 104 128.321 -11.310   3.249
  795    HD1  TRP 104           HD1      TRP 104 127.832 -12.001   0.863
  796    HE1  TRP 104           HE1      TRP 104 127.824 -10.843  -1.439
  797    HE3  TRP 104           HE3      TRP 104 128.910  -7.214   2.279
  798    HZ2  TRP 104           HZ2      TRP 104 128.221  -8.233  -2.536
  799    HZ3  TRP 104           HZ3      TRP 104 129.089  -5.413   0.586
  800    HH2  TRP 104           HH2      TRP 104 128.746  -5.916  -1.817
  801    H    GLY 105           H        GLY 105 125.876  -7.394   4.071
  802   1HA   GLY 105          2HA       GLY 105 128.259  -5.766   4.837
  803   2HA   GLY 105          1HA       GLY 105 126.885  -5.114   3.950
  804    H    ARG 106           H        ARG 106 126.220  -3.572   5.434
  805    HA   ARG 106           HA       ARG 106 125.755  -4.397   8.252
  806   1HB   ARG 106          2HB       ARG 106 125.638  -1.728   6.808
  807   2HB   ARG 106          1HB       ARG 106 125.475  -1.944   8.550
  808   1HG   ARG 106          2HG       ARG 106 127.708  -2.326   8.850
  809   2HG   ARG 106          1HG       ARG 106 127.865  -3.198   7.324
  810   1HD   ARG 106          2HD       ARG 106 128.381  -1.296   6.146
  811   2HD   ARG 106          1HD       ARG 106 127.259  -0.296   7.085
  812    HE   ARG 106           HE       ARG 106 129.067   0.234   8.496
  813   1HH1  ARG 106          2HH1      ARG 106 130.080  -2.191   6.343
  814   2HH1  ARG 106          1HH1      ARG 106 131.412  -2.716   7.318
  815   1HH2  ARG 106          1HH2      ARG 106 130.587  -0.709  10.018
  816   2HH2  ARG 106          2HH2      ARG 106 131.698  -1.880   9.391
  817    H    LEU 107           H        LEU 107 123.690  -3.876   9.261
  818    HA   LEU 107           HA       LEU 107 121.381  -4.551   7.595
  819   1HB   LEU 107          2HB       LEU 107 122.111  -4.163  10.453
  820   2HB   LEU 107          1HB       LEU 107 120.415  -3.898  10.056
  821    HG   LEU 107           HG       LEU 107 120.824  -6.188   8.692
  822   1HD1  LEU 107          1HD1      LEU 107 122.735  -6.246  11.046
  823   2HD1  LEU 107          2HD1      LEU 107 123.152  -6.438   9.343
  824   3HD1  LEU 107          3HD1      LEU 107 122.206  -7.680  10.165
  825   1HD2  LEU 107          1HD2      LEU 107 119.094  -5.728  10.431
  826   2HD2  LEU 107          2HD2      LEU 107 120.298  -6.049  11.679
  827   3HD2  LEU 107          3HD2      LEU 107 119.790  -7.341  10.590
  828    HA   PRO 108           HA       PRO 108 119.729  -0.524   6.894
  829   1HB   PRO 108          2HB       PRO 108 117.194  -0.558   7.950
  830   2HB   PRO 108          1HB       PRO 108 117.631  -1.392   6.444
  831   1HG   PRO 108          2HG       PRO 108 117.373  -2.499   9.208
  832   2HG   PRO 108          1HG       PRO 108 116.804  -3.171   7.669
  833   1HD   PRO 108          2HD       PRO 108 119.044  -4.062   8.846
  834   2HD   PRO 108          1HD       PRO 108 118.902  -3.948   7.078
  835    H    VAL 109           H        VAL 109 119.896  -1.702  10.141
  836    HA   VAL 109           HA       VAL 109 119.369   0.947  11.357
  837    HB   VAL 109           HB       VAL 109 118.561  -1.246  12.304
  838   1HG1  VAL 109          1HG1      VAL 109 121.516  -1.661  12.867
  839   2HG1  VAL 109          2HG1      VAL 109 120.561  -2.586  11.709
  840   3HG1  VAL 109          3HG1      VAL 109 120.202  -2.694  13.432
  841   1HG2  VAL 109          1HG2      VAL 109 119.824  -0.724  14.636
  842   2HG2  VAL 109          2HG2      VAL 109 118.532   0.296  14.003
  843   3HG2  VAL 109          3HG2      VAL 109 120.219   0.752  13.756
  844    H    ASP 110           H        ASP 110 122.050  -1.273  10.701
  845    HA   ASP 110           HA       ASP 110 124.071   0.116  12.208
  846   1HB   ASP 110          2HB       ASP 110 123.951  -1.857   9.940
  847   2HB   ASP 110          1HB       ASP 110 125.506  -1.164  10.403
  848    H    LEU 111           H        LEU 111 123.010   0.323   8.808
  849    HA   LEU 111           HA       LEU 111 124.963   2.131   7.830
  850   1HB   LEU 111          2HB       LEU 111 123.051   0.810   6.679
  851   2HB   LEU 111          1HB       LEU 111 122.033   2.190   7.094
  852    HG   LEU 111           HG       LEU 111 124.662   2.536   5.649
  853   1HD1  LEU 111          1HD1      LEU 111 121.951   2.386   4.318
  854   2HD1  LEU 111          2HD1      LEU 111 123.020   0.988   4.433
  855   3HD1  LEU 111          3HD1      LEU 111 123.539   2.424   3.549
  856   1HD2  LEU 111          1HD2      LEU 111 122.358   4.216   6.465
  857   2HD2  LEU 111          2HD2      LEU 111 122.972   4.512   4.840
  858   3HD2  LEU 111          3HD2      LEU 111 124.048   4.663   6.227
  859    H    ALA 112           H        ALA 112 122.087   2.685   9.792
  860    HA   ALA 112           HA       ALA 112 122.224   5.612   9.541
  861   1HB   ALA 112          1HB       ALA 112 120.502   5.128  11.559
  862   2HB   ALA 112          2HB       ALA 112 120.534   3.521  10.832
  863   3HB   ALA 112          3HB       ALA 112 120.047   4.916   9.869
  864    H    GLU 113           H        GLU 113 123.093   3.126  11.922
  865    HA   GLU 113           HA       GLU 113 123.696   4.718  14.152
  866   1HB   GLU 113          2HB       GLU 113 124.728   2.142  12.998
  867   2HB   GLU 113          1HB       GLU 113 125.451   2.790  14.470
  868   1HG   GLU 113          2HG       GLU 113 123.124   2.943  15.442
  869   2HG   GLU 113          1HG       GLU 113 122.544   2.063  14.027
  870    H    GLU 114           H        GLU 114 125.470   4.321  11.151
  871    HA   GLU 114           HA       GLU 114 127.904   5.614  12.237
  872   1HB   GLU 114          2HB       GLU 114 127.928   3.664  10.666
  873   2HB   GLU 114          1HB       GLU 114 127.177   4.687   9.441
  874   1HG   GLU 114          2HG       GLU 114 129.076   6.074   9.256
  875   2HG   GLU 114          1HG       GLU 114 129.733   5.529  10.800
  876    H    GLN 115           H        GLN 115 125.456   6.267   9.696
  877    HA   GLN 115           HA       GLN 115 126.500   8.844   8.980
  878   1HB   GLN 115          2HB       GLN 115 125.020   7.428   7.592
  879   2HB   GLN 115          1HB       GLN 115 123.705   7.678   8.740
  880   1HG   GLN 115          2HG       GLN 115 123.486   9.222   6.836
  881   2HG   GLN 115          1HG       GLN 115 123.820  10.120   8.318
  882   1HE2  GLN 115          1HE2      GLN 115 124.780  11.887   7.022
  883   2HE2  GLN 115          2HE2      GLN 115 126.328  11.715   6.345
  884    H    GLY 116           H        GLY 116 123.150   9.028   9.947
  885   1HA   GLY 116          2HA       GLY 116 123.688  10.219  12.554
  886   2HA   GLY 116          1HA       GLY 116 123.316  11.417  11.317
  887    H    HIS 117           H        HIS 117 121.832   8.256  11.130
  888    HA   HIS 117           HA       HIS 117 119.196   9.543  11.693
  889   1HB   HIS 117          2HB       HIS 117 119.532   6.757  10.629
  890   2HB   HIS 117          1HB       HIS 117 118.309   7.960  10.230
  891    HD1  HIS 117           HD1      HIS 117 120.720   6.323   8.467
  892    HD2  HIS 117           HD2      HIS 117 120.167  10.401   9.135
  893    HE1  HIS 117           HE1      HIS 117 121.963   7.526   6.619
  894    H    ARG 118           H        ARG 118 119.460   9.470  14.042
  895    HA   ARG 118           HA       ARG 118 119.917   6.915  15.391
  896   1HB   ARG 118          2HB       ARG 118 119.528   9.779  16.030
  897   2HB   ARG 118          1HB       ARG 118 118.982   8.657  17.275
  898   1HG   ARG 118          2HG       ARG 118 121.139   8.547  17.938
  899   2HG   ARG 118          1HG       ARG 118 121.431   7.600  16.479
  900   1HD   ARG 118          2HD       ARG 118 121.578  10.028  15.366
  901   2HD   ARG 118          1HD       ARG 118 122.045  10.477  17.019
  902    HE   ARG 118           HE       ARG 118 123.392   8.065  16.089
  903   1HH1  ARG 118          1HH2      ARG 118 124.041  10.830  17.646
  904   2HH1  ARG 118          2HH2      ARG 118 125.446  11.287  16.741
  905   1HH2  ARG 118          2HH1      ARG 118 124.929   8.930  14.249
  906   2HH2  ARG 118          1HH1      ARG 118 125.953  10.205  14.822
  907    H    ASP 119           H        ASP 119 117.133   9.182  15.359
  908    HA   ASP 119           HA       ASP 119 115.218   7.686  16.694
  909   1HB   ASP 119          2HB       ASP 119 114.998   9.984  15.753
  910   2HB   ASP 119          1HB       ASP 119 114.844   9.286  14.141
  911    H    ILE 120           H        ILE 120 115.976   7.432  13.201
  912    HA   ILE 120           HA       ILE 120 114.079   5.346  12.646
  913    HB   ILE 120           HB       ILE 120 115.337   6.946  11.085
  914   1HG1  ILE 120          2HG1      ILE 120 115.750   4.241   9.956
  915   2HG1  ILE 120          1HG1      ILE 120 114.142   4.544  10.616
  916   1HG2  ILE 120          1HG2      ILE 120 117.505   6.162  10.237
  917   2HG2  ILE 120          2HG2      ILE 120 117.482   4.825  11.386
  918   3HG2  ILE 120          3HG2      ILE 120 117.597   6.486  11.968
  919   1HD1  ILE 120          1HD1      ILE 120 114.776   5.202   8.101
  920   2HD1  ILE 120          2HD1      ILE 120 115.345   6.668   8.899
  921   3HD1  ILE 120          3HD1      ILE 120 113.659   6.174   9.060
  922    H    ALA 121           H        ALA 121 117.472   5.325  13.679
  923    HA   ALA 121           HA       ALA 121 117.988   2.528  13.400
  924   1HB   ALA 121          1HB       ALA 121 119.037   4.494  15.462
  925   2HB   ALA 121          2HB       ALA 121 119.632   4.380  13.806
  926   3HB   ALA 121          3HB       ALA 121 119.842   3.025  14.915
  927    H    ARG 122           H        ARG 122 116.588   4.422  16.081
  928    HA   ARG 122           HA       ARG 122 116.435   2.283  17.990
  929   1HB   ARG 122          2HB       ARG 122 114.554   4.643  17.648
  930   2HB   ARG 122          1HB       ARG 122 114.918   3.787  19.144
  931   1HG   ARG 122          2HG       ARG 122 116.648   5.703  17.597
  932   2HG   ARG 122          1HG       ARG 122 116.263   5.700  19.315
  933   1HD   ARG 122          2HD       ARG 122 117.555   3.445  19.397
  934   2HD   ARG 122          1HD       ARG 122 118.223   3.947  17.831
  935    HE   ARG 122           HE       ARG 122 118.418   6.184  19.542
  936   1HH1  ARG 122          1HH2      ARG 122 119.026   3.757  21.381
  937   2HH1  ARG 122          2HH2      ARG 122 120.755   3.735  21.293
  938   1HH2  ARG 122          2HH1      ARG 122 120.906   5.818  18.525
  939   2HH2  ARG 122          1HH1      ARG 122 121.819   4.902  19.675
  940    H    TYR 123           H        TYR 123 114.176   3.459  15.506
  941    HA   TYR 123           HA       TYR 123 112.079   1.547  16.149
  942   1HB   TYR 123          2HB       TYR 123 111.838   3.797  15.024
  943   2HB   TYR 123          1HB       TYR 123 112.616   3.104  13.600
  944    HD1  TYR 123           HD1      TYR 123 109.567   3.227  15.618
  945    HD2  TYR 123           HD2      TYR 123 111.523   1.283  12.324
  946    HE1  TYR 123           HE1      TYR 123 107.394   2.287  14.883
  947    HE2  TYR 123           HE2      TYR 123 109.351   0.342  11.590
  948    HH   TYR 123           HH       TYR 123 106.822   1.091  11.912
  949    H    LEU 124           H        LEU 124 114.874   1.622  14.003
  950    HA   LEU 124           HA       LEU 124 114.140  -0.695  12.413
  951   1HB   LEU 124          2HB       LEU 124 116.595   0.964  12.946
  952   2HB   LEU 124          1HB       LEU 124 116.737  -0.531  12.020
  953    HG   LEU 124           HG       LEU 124 114.805   1.710  11.360
  954   1HD1  LEU 124          1HD1      LEU 124 116.966   2.588  10.919
  955   2HD1  LEU 124          2HD1      LEU 124 116.423   1.951   9.367
  956   3HD1  LEU 124          3HD1      LEU 124 117.568   1.034  10.344
  957   1HD2  LEU 124          1HD2      LEU 124 115.269  -1.029  10.367
  958   2HD2  LEU 124          2HD2      LEU 124 115.221   0.194   9.099
  959   3HD2  LEU 124          3HD2      LEU 124 113.851   0.005  10.192
  960    H    HIS 125           H        HIS 125 116.687  -0.272  14.909
  961    HA   HIS 125           HA       HIS 125 117.347  -3.004  15.236
  962   1HB   HIS 125          2HB       HIS 125 117.871  -0.470  16.451
  963   2HB   HIS 125          1HB       HIS 125 117.488  -1.607  17.743
  964    HD1  HIS 125           HD1      HIS 125 120.404  -0.476  17.097
  965    HD2  HIS 125           HD2      HIS 125 118.932  -4.211  15.974
  966    HE1  HIS 125           HE1      HIS 125 122.423  -1.961  16.733
  967    H    ALA 126           H        ALA 126 114.644  -1.149  16.508
  968    HA   ALA 126           HA       ALA 126 113.833  -3.032  18.550
  969   1HB   ALA 126          1HB       ALA 126 111.713  -1.681  18.395
  970   2HB   ALA 126          2HB       ALA 126 112.394  -0.866  16.987
  971   3HB   ALA 126          3HB       ALA 126 113.165  -0.692  18.563
  972    H    ALA 127           H        ALA 127 113.102  -2.654  15.104
  973    HA   ALA 127           HA       ALA 127 111.185  -4.933  15.225
  974   1HB   ALA 127          1HB       ALA 127 110.954  -4.134  12.742
  975   2HB   ALA 127          2HB       ALA 127 111.871  -2.730  13.289
  976   3HB   ALA 127          3HB       ALA 127 110.313  -3.107  14.025
  977    H    THR 128           H        THR 128 114.415  -4.116  14.180
  978    HA   THR 128           HA       THR 128 114.643  -6.539  12.484
  979    HB   THR 128           HB       THR 128 116.848  -5.552  11.964
  980    HG1  THR 128           HG1      THR 128 117.436  -4.671  13.883
  981   1HG2  THR 128          1HG2      THR 128 115.779  -3.088  11.498
  982   2HG2  THR 128          2HG2      THR 128 114.316  -4.035  11.761
  983   3HG2  THR 128          3HG2      THR 128 115.454  -4.503  10.499
  984    H    GLY 129           H        GLY 129 114.489  -6.325  15.647
  985   1HA   GLY 129          2HA       GLY 129 117.060  -7.503  16.432
  986   2HA   GLY 129          1HA       GLY 129 115.675  -7.238  17.493
  987    H    ASP 130           HN       ASP 130 116.572  -9.236  14.667
  988    HA   ASP 130           HA       ASP 130 114.628 -11.227  14.854
  989   1HB   ASP 130          2HB       ASP 130 116.365 -12.638  13.739
  990   2HB   ASP 130          1HB       ASP 130 116.264 -11.019  13.048
  Start of MODEL    9
    1   1H    GLY  -5          1H        GLY  -5 113.343  -4.634 -39.575
    2   2H    GLY  -5          2H        GLY  -5 111.966  -4.770 -38.591
    3   3H    GLY  -5          3H        GLY  -5 113.261  -5.851 -38.397
    4   1HA   GLY  -5          2HA       GLY  -5 113.030  -3.049 -37.557
    5   2HA   GLY  -5          1HA       GLY  -5 113.656  -4.435 -36.663
    6    H    SER  -4           H        SER  -4 114.395  -2.100 -39.201
    7    HA   SER  -4           HA       SER  -4 117.027  -3.039 -39.842
    8   1HB   SER  -4          2HB       SER  -4 116.219  -1.520 -41.376
    9   2HB   SER  -4          1HB       SER  -4 115.387  -0.569 -40.151
   10    HG   SER  -4           HG       SER  -4 118.064  -0.508 -40.985
   11    HA   PRO  -3           HA       PRO  -3 118.669   0.093 -36.624
   12   1HB   PRO  -3          2HB       PRO  -3 116.883   1.321 -34.955
   13   2HB   PRO  -3          1HB       PRO  -3 117.356   1.996 -36.527
   14   1HG   PRO  -3          2HG       PRO  -3 114.902   0.487 -35.776
   15   2HG   PRO  -3          1HG       PRO  -3 115.085   1.877 -36.858
   16   1HD   PRO  -3          2HD       PRO  -3 114.805  -0.684 -37.741
   17   2HD   PRO  -3          1HD       PRO  -3 115.674   0.575 -38.645
   18    H    GLY  -2           H        GLY  -2 115.803  -1.753 -35.654
   19   1HA   GLY  -2          2HA       GLY  -2 116.619  -2.265 -32.946
   20   2HA   GLY  -2          1HA       GLY  -2 115.453  -3.226 -33.857
   21    H    ILE  -1           H        ILE  -1 118.205  -3.607 -32.216
   22    HA   ILE  -1           HA       ILE  -1 119.037  -5.924 -33.895
   23    HB   ILE  -1           HB       ILE  -1 121.410  -5.198 -33.625
   24   1HG1  ILE  -1          2HG1      ILE  -1 120.387  -2.502 -32.763
   25   2HG1  ILE  -1          1HG1      ILE  -1 120.703  -3.744 -31.551
   26   1HG2  ILE  -1          1HG2      ILE  -1 120.047  -4.584 -35.638
   27   2HG2  ILE  -1          2HG2      ILE  -1 121.333  -3.431 -35.287
   28   3HG2  ILE  -1          3HG2      ILE  -1 119.666  -3.048 -34.861
   29   1HD1  ILE  -1          1HD1      ILE  -1 122.624  -2.335 -33.366
   30   2HD1  ILE  -1          2HD1      ILE  -1 122.985  -3.991 -32.879
   31   3HD1  ILE  -1          3HD1      ILE  -1 122.789  -2.735 -31.657
   32    H    HIS   0           H        HIS   0 117.698  -5.381 -31.162
   33    HA   HIS   0           HA       HIS   0 119.038  -7.517 -29.724
   34   1HB   HIS   0          2HB       HIS   0 120.339  -5.166 -29.549
   35   2HB   HIS   0          1HB       HIS   0 119.183  -4.933 -28.238
   36    HD1  HIS   0           HD1      HIS   0 120.732  -8.258 -29.207
   37    HD2  HIS   0           HD2      HIS   0 120.901  -5.496 -26.090
   38    HE1  HIS   0           HE1      HIS   0 122.088  -9.340 -27.364
   39    H    MET   1           H        MET   1 118.164  -6.177 -27.105
   40    HA   MET   1           HA       MET   1 115.674  -7.368 -26.708
   41   1HB   MET   1          2HB       MET   1 115.534  -5.824 -24.775
   42   2HB   MET   1          1HB       MET   1 117.165  -6.463 -24.967
   43   1HG   MET   1          2HG       MET   1 116.831  -4.045 -26.536
   44   2HG   MET   1          1HG       MET   1 116.416  -3.750 -24.849
   45   1HE   MET   1          1HE       MET   1 117.601  -4.485 -22.978
   46   2HE   MET   1          2HE       MET   1 119.351  -4.443 -22.785
   47   3HE   MET   1          3HE       MET   1 118.563  -5.938 -23.287
   48    H    LEU   2           H        LEU   2 113.607  -6.026 -26.120
   49    HA   LEU   2           HA       LEU   2 113.096  -3.730 -27.921
   50   1HB   LEU   2          2HB       LEU   2 112.820  -5.763 -29.301
   51   2HB   LEU   2          1HB       LEU   2 111.683  -6.412 -28.120
   52    HG   LEU   2           HG       LEU   2 110.925  -3.722 -28.933
   53   1HD1  LEU   2          1HD1      LEU   2 111.301  -5.833 -31.071
   54   2HD1  LEU   2          2HD1      LEU   2 111.932  -4.186 -31.061
   55   3HD1  LEU   2          3HD1      LEU   2 110.201  -4.467 -31.257
   56   1HD2  LEU   2          1HD2      LEU   2 108.837  -4.634 -28.743
   57   2HD2  LEU   2          2HD2      LEU   2 109.698  -5.957 -27.958
   58   3HD2  LEU   2          3HD2      LEU   2 109.274  -6.072 -29.665
   59    H    GLY   3           H        GLY   3 112.678  -2.682 -25.833
   60   1HA   GLY   3          2HA       GLY   3 110.430  -3.735 -24.227
   61   2HA   GLY   3          1HA       GLY   3 111.446  -2.358 -23.801
   62    H    GLY   4           H        GLY   4 109.382  -1.237 -23.361
   63   1HA   GLY   4          2HA       GLY   4 108.028  -0.333 -25.869
   64   2HA   GLY   4          1HA       GLY   4 107.232  -0.393 -24.297
   65    H    SER   5           H        SER   5 107.419   1.369 -22.937
   66    HA   SER   5           HA       SER   5 109.366   3.511 -23.711
   67   1HB   SER   5          2HB       SER   5 107.438   5.104 -23.250
   68   2HB   SER   5          1HB       SER   5 107.241   4.094 -24.679
   69    HG   SER   5           HG       SER   5 105.500   3.378 -23.766
   70    H    SER   6           H        SER   6 106.784   3.467 -21.250
   71    HA   SER   6           HA       SER   6 108.914   3.590 -19.136
   72   1HB   SER   6          2HB       SER   6 106.249   5.041 -19.231
   73   2HB   SER   6          1HB       SER   6 107.517   5.255 -18.028
   74    HG   SER   6           HG       SER   6 108.847   6.082 -19.627
   75    H    ASP   7           H        ASP   7 108.675   1.378 -18.503
   76    HA   ASP   7           HA       ASP   7 106.035   0.229 -17.943
   77   1HB   ASP   7          2HB       ASP   7 108.822  -0.581 -18.164
   78   2HB   ASP   7          1HB       ASP   7 108.063  -1.309 -16.749
   79    H    ALA   8           H        ALA   8 108.352   2.130 -16.213
   80    HA   ALA   8           HA       ALA   8 106.690   1.924 -13.758
   81   1HB   ALA   8          1HB       ALA   8 109.583   1.827 -13.246
   82   2HB   ALA   8          2HB       ALA   8 108.986   0.417 -14.122
   83   3HB   ALA   8          3HB       ALA   8 108.292   0.846 -12.557
   84    H    GLY   9           H        GLY   9 106.719   4.120 -15.434
   85   1HA   GLY   9          2HA       GLY   9 108.724   6.071 -15.030
   86   2HA   GLY   9          1HA       GLY   9 107.029   6.449 -15.348
   87    H    LEU  10           H        LEU  10 106.184   4.936 -12.915
   88    HA   LEU  10           HA       LEU  10 106.035   7.056 -11.035
   89   1HB   LEU  10          2HB       LEU  10 105.300   5.216  -9.507
   90   2HB   LEU  10          1HB       LEU  10 104.531   5.118 -11.091
   91    HG   LEU  10           HG       LEU  10 106.683   3.602 -11.604
   92   1HD1  LEU  10          1HD1      LEU  10 106.732   3.983  -8.744
   93   2HD1  LEU  10          2HD1      LEU  10 107.862   3.083  -9.756
   94   3HD1  LEU  10          3HD1      LEU  10 106.431   2.284  -9.109
   95   1HD2  LEU  10          1HD2      LEU  10 103.973   3.043 -10.523
   96   2HD2  LEU  10          2HD2      LEU  10 105.109   1.696 -10.490
   97   3HD2  LEU  10          3HD2      LEU  10 104.722   2.486 -12.019
   98    H    ALA  11           H        ALA  11 108.418   4.471 -11.436
   99    HA   ALA  11           HA       ALA  11 109.813   5.015  -8.934
  100   1HB   ALA  11          1HB       ALA  11 109.688   2.982 -10.786
  101   2HB   ALA  11          2HB       ALA  11 110.915   3.107  -9.526
  102   3HB   ALA  11          3HB       ALA  11 111.255   3.705 -11.150
  103    H    THR  12           H        THR  12 110.253   5.900 -12.357
  104    HA   THR  12           HA       THR  12 112.782   7.219 -12.097
  105    HB   THR  12           HB       THR  12 110.440   7.782 -13.951
  106    HG1  THR  12           HG1      THR  12 110.916   5.716 -14.289
  107   1HG2  THR  12          1HG2      THR  12 113.400   8.190 -14.429
  108   2HG2  THR  12          2HG2      THR  12 112.324   9.476 -13.883
  109   3HG2  THR  12          3HG2      THR  12 112.064   8.717 -15.453
  110    H    ALA  13           H        ALA  13 109.474   8.624 -12.157
  111    HA   ALA  13           HA       ALA  13 110.285  11.289 -11.470
  112   1HB   ALA  13          1HB       ALA  13 107.685   9.769 -11.075
  113   2HB   ALA  13          2HB       ALA  13 108.134  10.717 -12.493
  114   3HB   ALA  13          3HB       ALA  13 107.849  11.521 -10.950
  115    H    ALA  14           H        ALA  14 109.488   8.443  -9.526
  116    HA   ALA  14           HA       ALA  14 109.277   9.783  -6.982
  117   1HB   ALA  14          1HB       ALA  14 108.422   7.532  -7.399
  118   2HB   ALA  14          2HB       ALA  14 109.654   7.446  -6.142
  119   3HB   ALA  14          3HB       ALA  14 110.042   6.957  -7.791
  120    H    ALA  15           H        ALA  15 111.980   8.511  -8.867
  121    HA   ALA  15           HA       ALA  15 113.972   8.692  -6.774
  122   1HB   ALA  15          1HB       ALA  15 114.176   7.273  -8.771
  123   2HB   ALA  15          2HB       ALA  15 115.508   8.429  -8.722
  124   3HB   ALA  15          3HB       ALA  15 114.144   8.701  -9.805
  125    H    ARG  16           H        ARG  16 112.598  10.975  -9.069
  126    HA   ARG  16           HA       ARG  16 114.673  12.997  -8.366
  127   1HB   ARG  16          2HB       ARG  16 113.738  14.217 -10.286
  128   2HB   ARG  16          1HB       ARG  16 114.114  12.557 -10.743
  129   1HG   ARG  16          2HG       ARG  16 111.708  11.968 -10.315
  130   2HG   ARG  16          1HG       ARG  16 111.382  13.683 -10.065
  131   1HD   ARG  16          2HD       ARG  16 112.561  13.960 -12.409
  132   2HD   ARG  16          1HD       ARG  16 112.128  12.250 -12.601
  133    HE   ARG  16           HE       ARG  16 109.801  13.352 -11.638
  134   1HH1  ARG  16          2HH1      ARG  16 110.910  15.902 -12.923
  135   2HH1  ARG  16          1HH1      ARG  16 110.164  15.832 -14.486
  136   1HH2  ARG  16          1HH2      ARG  16 109.283  12.490 -14.209
  137   2HH2  ARG  16          2HH2      ARG  16 109.244  13.900 -15.214
  138    H    GLY  17           H        GLY  17 112.262  12.023  -6.670
  139   1HA   GLY  17          2HA       GLY  17 110.818  13.012  -5.117
  140   2HA   GLY  17          1HA       GLY  17 111.707  14.508  -5.395
  141    H    GLN  18           H        GLN  18 109.004  12.540  -6.575
  142    HA   GLN  18           HA       GLN  18 107.626  15.028  -7.405
  143   1HB   GLN  18          2HB       GLN  18 108.713  12.906  -9.207
  144   2HB   GLN  18          1HB       GLN  18 107.142  13.588  -9.622
  145   1HG   GLN  18          2HG       GLN  18 109.668  15.196  -9.124
  146   2HG   GLN  18          1HG       GLN  18 108.990  14.832 -10.709
  147   1HE2  GLN  18          1HE2      GLN  18 109.312  17.505  -9.289
  148   2HE2  GLN  18          2HE2      GLN  18 107.755  18.180  -9.288
  149    H    VAL  19           H        VAL  19 106.504  14.024  -5.382
  150    HA   VAL  19           HA       VAL  19 105.055  11.587  -5.443
  151    HB   VAL  19           HB       VAL  19 104.663  14.279  -4.117
  152   1HG1  VAL  19          1HG1      VAL  19 102.952  13.248  -2.675
  153   2HG1  VAL  19          2HG1      VAL  19 103.043  11.759  -3.616
  154   3HG1  VAL  19          3HG1      VAL  19 102.428  13.235  -4.357
  155   1HG2  VAL  19          1HG2      VAL  19 105.319  11.584  -2.905
  156   2HG2  VAL  19          2HG2      VAL  19 105.538  13.181  -2.185
  157   3HG2  VAL  19          3HG2      VAL  19 106.563  12.669  -3.524
  158    H    GLU  20           H        GLU  20 104.097  14.842  -6.564
  159    HA   GLU  20           HA       GLU  20 101.415  14.296  -7.286
  160   1HB   GLU  20          2HB       GLU  20 103.156  16.406  -7.376
  161   2HB   GLU  20          1HB       GLU  20 102.982  16.036  -9.093
  162   1HG   GLU  20          2HG       GLU  20 100.597  16.288  -8.995
  163   2HG   GLU  20          1HG       GLU  20 100.617  16.354  -7.232
  164    H    THR  21           H        THR  21 104.324  14.148  -9.392
  165    HA   THR  21           HA       THR  21 102.961  13.096 -11.683
  166    HB   THR  21           HB       THR  21 105.815  12.412 -11.100
  167    HG1  THR  21           HG1      THR  21 104.764  15.029 -11.372
  168   1HG2  THR  21          1HG2      THR  21 106.078  13.245 -13.413
  169   2HG2  THR  21          2HG2      THR  21 104.371  13.692 -13.437
  170   3HG2  THR  21          3HG2      THR  21 104.837  11.995 -13.314
  171    H    VAL  22           H        VAL  22 104.684  11.493  -9.003
  172    HA   VAL  22           HA       VAL  22 104.500   8.814  -9.994
  173    HB   VAL  22           HB       VAL  22 104.561   9.917  -7.162
  174   1HG1  VAL  22          1HG1      VAL  22 104.871   7.799  -6.395
  175   2HG1  VAL  22          2HG1      VAL  22 105.868   7.345  -7.776
  176   3HG1  VAL  22          3HG1      VAL  22 104.110   7.311  -7.909
  177   1HG2  VAL  22          1HG2      VAL  22 106.401  10.381  -9.102
  178   2HG2  VAL  22          2HG2      VAL  22 106.987   8.833  -8.494
  179   3HG2  VAL  22          3HG2      VAL  22 106.824  10.205  -7.399
  180    H    ARG  23           H        ARG  23 102.286  10.774  -8.014
  181    HA   ARG  23           HA       ARG  23 100.401   8.657  -7.454
  182   1HB   ARG  23          2HB       ARG  23 100.241  11.685  -7.522
  183   2HB   ARG  23          1HB       ARG  23  98.945  10.659  -6.905
  184   1HG   ARG  23          2HG       ARG  23 101.760  10.355  -5.875
  185   2HG   ARG  23          1HG       ARG  23 100.688  11.590  -5.211
  186   1HD   ARG  23          2HD       ARG  23  99.572   8.829  -5.473
  187   2HD   ARG  23          1HD       ARG  23 100.753   9.117  -4.179
  188    HE   ARG  23           HE       ARG  23  98.306  10.811  -4.532
  189   1HH1  ARG  23          1HH2      ARG  23  99.667   8.423  -2.620
  190   2HH1  ARG  23          2HH2      ARG  23  99.461   9.257  -1.116
  191   1HH2  ARG  23          2HH1      ARG  23  98.468  12.231  -2.594
  192   2HH2  ARG  23          1HH1      ARG  23  98.782  11.410  -1.102
  193    H    GLN  24           H        GLN  24 100.931  10.768 -10.199
  194    HA   GLN  24           HA       GLN  24  98.279  10.390 -11.372
  195   1HB   GLN  24          2HB       GLN  24 100.938  11.499 -12.302
  196   2HB   GLN  24          1HB       GLN  24  99.514  11.465 -13.342
  197   1HG   GLN  24          2HG       GLN  24  99.595  12.768 -10.605
  198   2HG   GLN  24          1HG       GLN  24  99.788  13.639 -12.128
  199   1HE2  GLN  24          1HE2      GLN  24  97.520  13.541  -9.970
  200   2HE2  GLN  24          2HE2      GLN  24  96.116  13.324 -10.899
  201    H    LEU  25           H        LEU  25 101.568   9.260 -12.275
  202    HA   LEU  25           HA       LEU  25 100.769   7.525 -14.381
  203   1HB   LEU  25          2HB       LEU  25 103.107   8.331 -13.086
  204   2HB   LEU  25          1HB       LEU  25 103.053   6.591 -12.810
  205    HG   LEU  25           HG       LEU  25 102.822   7.963 -15.506
  206   1HD1  LEU  25          1HD1      LEU  25 105.015   7.068 -15.952
  207   2HD1  LEU  25          2HD1      LEU  25 105.015   6.169 -14.435
  208   3HD1  LEU  25          3HD1      LEU  25 105.101   7.930 -14.415
  209   1HD2  LEU  25          1HD2      LEU  25 102.092   5.305 -14.577
  210   2HD2  LEU  25          2HD2      LEU  25 103.352   5.216 -15.808
  211   3HD2  LEU  25          3HD2      LEU  25 101.832   6.039 -16.158
  212    H    LEU  26           H        LEU  26 101.243   6.831 -10.899
  213    HA   LEU  26           HA       LEU  26 100.776   4.036 -10.963
  214   1HB   LEU  26          2HB       LEU  26 101.416   5.838  -9.089
  215   2HB   LEU  26          1HB       LEU  26  99.694   5.705  -8.728
  216    HG   LEU  26           HG       LEU  26 100.934   4.084  -7.381
  217   1HD1  LEU  26          1HD1      LEU  26  99.788   2.019  -8.097
  218   2HD1  LEU  26          2HD1      LEU  26  99.467   2.740  -9.673
  219   3HD1  LEU  26          3HD1      LEU  26  98.712   3.410  -8.226
  220   1HD2  LEU  26          1HD2      LEU  26 102.795   3.976  -9.215
  221   2HD2  LEU  26          2HD2      LEU  26 101.806   2.687  -9.902
  222   3HD2  LEU  26          3HD2      LEU  26 102.453   2.528  -8.269
  223    H    GLU  27           H        GLU  27  98.396   6.644 -10.310
  224    HA   GLU  27           HA       GLU  27  96.128   4.822 -10.407
  225   1HB   GLU  27          2HB       GLU  27  96.375   7.846 -10.533
  226   2HB   GLU  27          1HB       GLU  27  94.873   6.967 -10.245
  227   1HG   GLU  27          2HG       GLU  27  97.293   6.507  -8.506
  228   2HG   GLU  27          1HG       GLU  27  96.178   7.835  -8.179
  229    H    ALA  28           H        ALA  28  98.083   6.130 -12.842
  230    HA   ALA  28           HA       ALA  28  95.970   6.580 -14.830
  231   1HB   ALA  28          1HB       ALA  28  98.008   7.909 -14.839
  232   2HB   ALA  28          2HB       ALA  28  97.987   6.916 -16.296
  233   3HB   ALA  28          3HB       ALA  28  98.999   6.453 -14.927
  234    H    GLY  29           H        GLY  29  98.399   4.061 -14.126
  235   1HA   GLY  29          2HA       GLY  29  96.970   1.868 -14.969
  236   2HA   GLY  29          1HA       GLY  29  97.702   2.491 -16.439
  237    H    ALA  30           H        ALA  30 100.042   3.459 -14.666
  238    HA   ALA  30           HA       ALA  30 101.954   1.520 -15.228
  239   1HB   ALA  30          1HB       ALA  30 102.850   3.485 -14.434
  240   2HB   ALA  30          2HB       ALA  30 102.917   2.562 -12.933
  241   3HB   ALA  30          3HB       ALA  30 101.589   3.687 -13.219
  242    H    ASP  31           H        ASP  31 102.542  -0.450 -14.357
  243    HA   ASP  31           HA       ASP  31 100.775  -1.727 -12.412
  244   1HB   ASP  31          2HB       ASP  31 102.217  -3.663 -12.876
  245   2HB   ASP  31          1HB       ASP  31 101.833  -2.844 -14.385
  246    HA   PRO  32           HA       PRO  32 103.206  -0.737  -8.867
  247   1HB   PRO  32          2HB       PRO  32 102.288  -2.651  -7.154
  248   2HB   PRO  32          1HB       PRO  32 101.318  -1.247  -7.638
  249   1HG   PRO  32          2HG       PRO  32 101.130  -4.064  -8.510
  250   2HG   PRO  32          1HG       PRO  32  99.866  -2.835  -8.371
  251   1HD   PRO  32          2HD       PRO  32 101.100  -3.664 -10.736
  252   2HD   PRO  32          1HD       PRO  32 100.117  -2.199 -10.525
  253    H    ASN  33           H        ASN  33 103.842  -3.370 -10.789
  254    HA   ASN  33           HA       ASN  33 106.142  -4.188  -9.056
  255   1HB   ASN  33          2HB       ASN  33 103.974  -5.810 -10.357
  256   2HB   ASN  33          1HB       ASN  33 105.567  -6.531 -10.123
  257   1HD2  ASN  33          1HD2      ASN  33 106.371  -5.551  -7.663
  258   2HD2  ASN  33          2HD2      ASN  33 105.274  -6.008  -6.451
  259    H    ALA  34           H        ALA  34 106.291  -2.336 -11.227
  260    HA   ALA  34           HA       ALA  34 107.557  -3.953 -13.413
  261   1HB   ALA  34          1HB       ALA  34 107.348  -1.339 -14.283
  262   2HB   ALA  34          2HB       ALA  34 105.951  -1.488 -13.222
  263   3HB   ALA  34          3HB       ALA  34 106.145  -2.593 -14.584
  264    H    LEU  35           H        LEU  35 109.723  -4.171 -12.780
  265    HA   LEU  35           HA       LEU  35 111.162  -2.104 -11.334
  266   1HB   LEU  35          2HB       LEU  35 113.028  -3.643 -11.594
  267   2HB   LEU  35          1HB       LEU  35 111.575  -4.589 -11.274
  268    HG   LEU  35           HG       LEU  35 111.439  -4.525 -13.958
  269   1HD1  LEU  35          1HD1      LEU  35 113.428  -4.206 -15.039
  270   2HD1  LEU  35          2HD1      LEU  35 114.368  -4.922 -13.731
  271   3HD1  LEU  35          3HD1      LEU  35 113.821  -3.251 -13.610
  272   1HD2  LEU  35          1HD2      LEU  35 112.706  -6.354 -11.985
  273   2HD2  LEU  35          2HD2      LEU  35 113.083  -6.662 -13.680
  274   3HD2  LEU  35          3HD2      LEU  35 111.407  -6.666 -13.135
  275    H    ASN  36           H        ASN  36 112.495  -0.495 -12.161
  276    HA   ASN  36           HA       ASN  36 112.541  -0.205 -15.140
  277   1HB   ASN  36          2HB       ASN  36 112.908   2.199 -14.588
  278   2HB   ASN  36          1HB       ASN  36 111.430   1.570 -13.862
  279   1HD2  ASN  36          1HD2      ASN  36 114.083   3.445 -13.139
  280   2HD2  ASN  36          2HD2      ASN  36 114.150   3.195 -11.461
  281    H    ARG  37           H        ARG  37 114.416  -1.690 -15.272
  282    HA   ARG  37           HA       ARG  37 116.732  -2.138 -15.387
  283   1HB   ARG  37          2HB       ARG  37 116.605   0.891 -15.393
  284   2HB   ARG  37          1HB       ARG  37 118.052  -0.028 -15.803
  285   1HG   ARG  37          2HG       ARG  37 115.634  -0.931 -17.218
  286   2HG   ARG  37          1HG       ARG  37 116.111   0.723 -17.605
  287   1HD   ARG  37          2HD       ARG  37 118.320   0.012 -18.281
  288   2HD   ARG  37          1HD       ARG  37 118.033  -1.630 -17.668
  289    HE   ARG  37           HE       ARG  37 115.990  -1.458 -19.387
  290   1HH1  ARG  37          2HH1      ARG  37 118.204   0.844 -20.135
  291   2HH1  ARG  37          1HH1      ARG  37 118.697   0.180 -21.657
  292   1HH2  ARG  37          1HH2      ARG  37 117.058  -2.839 -21.171
  293   2HH2  ARG  37          2HH2      ARG  37 118.048  -1.906 -22.243
  294    H    PHE  38           H        PHE  38 118.946  -1.098 -14.291
  295    HA   PHE  38           HA       PHE  38 120.195  -1.025 -12.295
  296   1HB   PHE  38          2HB       PHE  38 117.640   0.445 -11.601
  297   2HB   PHE  38          1HB       PHE  38 119.011   0.363 -10.496
  298    HD1  PHE  38           HD1      PHE  38 121.168   1.411 -11.076
  299    HD2  PHE  38           HD2      PHE  38 117.744   1.744 -13.648
  300    HE1  PHE  38           HE1      PHE  38 122.273   3.259 -12.307
  301    HE2  PHE  38           HE2      PHE  38 118.849   3.592 -14.879
  302    HZ   PHE  38           HZ       PHE  38 121.114   4.349 -14.208
  303    H    GLY  39           H        GLY  39 117.844  -3.156 -12.736
  304   1HA   GLY  39          2HA       GLY  39 116.792  -4.846 -11.463
  305   2HA   GLY  39          1HA       GLY  39 118.429  -5.028 -10.842
  306    H    ARG  40           H        ARG  40 116.364  -2.207 -10.315
  307    HA   ARG  40           HA       ARG  40 116.504  -2.770  -7.381
  308   1HB   ARG  40          2HB       ARG  40 116.901  -0.484  -9.100
  309   2HB   ARG  40          1HB       ARG  40 115.610  -0.133  -7.949
  310   1HG   ARG  40          2HG       ARG  40 117.213  -1.119  -6.166
  311   2HG   ARG  40          1HG       ARG  40 118.470  -0.901  -7.384
  312   1HD   ARG  40          2HD       ARG  40 116.707   1.449  -7.017
  313   2HD   ARG  40          1HD       ARG  40 117.736   1.056  -5.625
  314    HE   ARG  40           HE       ARG  40 118.682   1.951  -8.243
  315   1HH1  ARG  40          2HH1      ARG  40 119.572   1.732  -5.097
  316   2HH1  ARG  40          1HH1      ARG  40 121.189   1.173  -5.368
  317   1HH2  ARG  40          1HH2      ARG  40 120.686   0.542  -8.742
  318   2HH2  ARG  40          2HH2      ARG  40 121.820   0.500  -7.433
  319    H    ARG  41           H        ARG  41 114.471  -1.112  -6.530
  320    HA   ARG  41           HA       ARG  41 112.008  -2.419  -7.649
  321   1HB   ARG  41          2HB       ARG  41 112.399  -1.315  -4.853
  322   2HB   ARG  41          1HB       ARG  41 111.194  -2.474  -5.397
  323   1HG   ARG  41          2HG       ARG  41 114.148  -3.094  -5.508
  324   2HG   ARG  41          1HG       ARG  41 113.182  -3.413  -4.070
  325   1HD   ARG  41          2HD       ARG  41 112.772  -5.428  -5.082
  326   2HD   ARG  41          1HD       ARG  41 111.604  -4.505  -6.050
  327    HE   ARG  41           HE       ARG  41 113.200  -4.416  -7.842
  328   1HH1  ARG  41          1HH2      ARG  41 115.182  -4.681  -5.191
  329   2HH1  ARG  41          2HH2      ARG  41 116.241  -5.870  -5.863
  330   1HH2  ARG  41          2HH1      ARG  41 114.242  -6.491  -8.624
  331   2HH2  ARG  41          1HH1      ARG  41 115.711  -6.899  -7.801
  332    HA   PRO  42           HA       PRO  42 110.302   1.592  -8.265
  333   1HB   PRO  42          2HB       PRO  42 107.832   1.556  -7.080
  334   2HB   PRO  42          1HB       PRO  42 108.201   0.687  -8.583
  335   1HG   PRO  42          2HG       PRO  42 107.987  -0.346  -5.805
  336   2HG   PRO  42          1HG       PRO  42 107.495  -1.096  -7.330
  337   1HD   PRO  42          2HD       PRO  42 109.774  -1.751  -5.973
  338   2HD   PRO  42          1HD       PRO  42 109.573  -1.958  -7.725
  339    H    ILE  43           H        ILE  43 110.578   0.482  -4.976
  340    HA   ILE  43           HA       ILE  43 110.344   3.275  -3.933
  341    HB   ILE  43           HB       ILE  43 110.290   0.512  -2.688
  342   1HG1  ILE  43          2HG1      ILE  43 108.296   2.796  -2.848
  343   2HG1  ILE  43          1HG1      ILE  43 108.199   1.265  -3.716
  344   1HG2  ILE  43          1HG2      ILE  43 111.532   1.880  -1.136
  345   2HG2  ILE  43          2HG2      ILE  43 109.883   1.775  -0.522
  346   3HG2  ILE  43          3HG2      ILE  43 110.422   3.232  -1.355
  347   1HD1  ILE  43          1HD1      ILE  43 108.194   0.111  -1.450
  348   2HD1  ILE  43          2HD1      ILE  43 106.752   1.062  -1.810
  349   3HD1  ILE  43          3HD1      ILE  43 107.987   1.706  -0.729
  350    H    GLN  44           H        GLN  44 112.574   0.609  -4.437
  351    HA   GLN  44           HA       GLN  44 114.698   1.636  -2.739
  352   1HB   GLN  44          2HB       GLN  44 114.222  -0.521  -4.724
  353   2HB   GLN  44          1HB       GLN  44 115.904  -0.031  -4.509
  354   1HG   GLN  44          2HG       GLN  44 115.178  -0.167  -1.924
  355   2HG   GLN  44          1HG       GLN  44 114.052  -1.352  -2.587
  356   1HE2  GLN  44          1HE2      GLN  44 114.887  -3.431  -2.830
  357   2HE2  GLN  44          2HE2      GLN  44 116.539  -3.812  -2.913
  358    H    VAL  45           H        VAL  45 113.438   2.780  -5.655
  359    HA   VAL  45           HA       VAL  45 116.082   3.928  -6.474
  360    HB   VAL  45           HB       VAL  45 114.917   2.388  -8.059
  361   1HG1  VAL  45          1HG1      VAL  45 112.842   3.252  -9.159
  362   2HG1  VAL  45          2HG1      VAL  45 112.781   4.541  -7.957
  363   3HG1  VAL  45          3HG1      VAL  45 112.603   2.860  -7.457
  364   1HG2  VAL  45          1HG2      VAL  45 115.213   3.788  -9.988
  365   2HG2  VAL  45          2HG2      VAL  45 116.369   4.349  -8.781
  366   3HG2  VAL  45          3HG2      VAL  45 114.877   5.247  -9.058
  367    H    MET  46           H        MET  46 112.896   4.680  -5.308
  368    HA   MET  46           HA       MET  46 112.632   7.337  -6.343
  369   1HB   MET  46          2HB       MET  46 110.949   7.556  -4.586
  370   2HB   MET  46          1HB       MET  46 110.847   5.942  -5.284
  371   1HG   MET  46          2HG       MET  46 111.420   4.944  -3.336
  372   2HG   MET  46          1HG       MET  46 112.716   6.095  -3.021
  373   1HE   MET  46          1HE       MET  46 111.097   6.158   0.162
  374   2HE   MET  46          2HE       MET  46 111.598   4.930  -0.999
  375   3HE   MET  46          3HE       MET  46 109.892   5.110  -0.598
  376    H    MET  47           H        MET  47 112.843   9.348  -4.979
  377    HA   MET  47           HA       MET  47 115.478   9.788  -4.058
  378   1HB   MET  47          2HB       MET  47 114.458  11.859  -3.089
  379   2HB   MET  47          1HB       MET  47 113.928  11.547  -4.741
  380   1HG   MET  47          2HG       MET  47 111.774  11.233  -4.112
  381   2HG   MET  47          1HG       MET  47 112.234  10.244  -2.727
  382   1HE   MET  47          1HE       MET  47 111.977  14.627  -3.372
  383   2HE   MET  47          2HE       MET  47 113.004  13.453  -4.191
  384   3HE   MET  47          3HE       MET  47 113.617  14.320  -2.785
  385    H    MET  48           H        MET  48 112.844   8.226  -2.441
  386    HA   MET  48           HA       MET  48 112.660   7.312  -0.280
  387   1HB   MET  48          2HB       MET  48 114.930   6.507  -1.101
  388   2HB   MET  48          1HB       MET  48 115.646   7.844  -0.206
  389   1HG   MET  48          2HG       MET  48 115.705   5.819   1.157
  390   2HG   MET  48          1HG       MET  48 114.597   6.981   1.877
  391   1HE   MET  48          1HE       MET  48 113.498   4.522  -1.381
  392   2HE   MET  48          2HE       MET  48 113.867   3.139  -0.354
  393   3HE   MET  48          3HE       MET  48 115.088   4.379  -0.625
  394    H    GLY  49           H        GLY  49 112.629  10.322  -0.778
  395   1HA   GLY  49          2HA       GLY  49 113.068  11.131   2.066
  396   2HA   GLY  49          1HA       GLY  49 113.504  12.203   0.733
  397    H    SER  50           H        SER  50 110.694  10.236   0.310
  398    HA   SER  50           HA       SER  50 108.853  12.381   1.221
  399   1HB   SER  50          2HB       SER  50 109.494  11.572  -1.591
  400   2HB   SER  50          1HB       SER  50 107.840  12.046  -1.215
  401    HG   SER  50           HG       SER  50 108.489  14.036  -1.090
  402    H    ALA  51           H        ALA  51 107.899  10.864   2.668
  403    HA   ALA  51           HA       ALA  51 107.243   8.170   2.202
  404   1HB   ALA  51          1HB       ALA  51 105.291   8.843   3.837
  405   2HB   ALA  51          2HB       ALA  51 106.091  10.415   3.836
  406   3HB   ALA  51          3HB       ALA  51 106.962   8.982   4.380
  407    H    GLN  52           H        GLN  52 105.679  11.070   0.993
  408    HA   GLN  52           HA       GLN  52 103.119  10.142   0.272
  409   1HB   GLN  52          2HB       GLN  52 105.086  12.143  -0.680
  410   2HB   GLN  52          1HB       GLN  52 103.767  11.748  -1.777
  411   1HG   GLN  52          2HG       GLN  52 102.116  12.306  -0.098
  412   2HG   GLN  52          1HG       GLN  52 103.377  12.534   1.108
  413   1HE2  GLN  52          1HE2      GLN  52 105.252  14.113  -0.082
  414   2HE2  GLN  52          2HE2      GLN  52 104.578  15.573  -0.626
  415    H    VAL  53           H        VAL  53 106.234   9.611  -1.304
  416    HA   VAL  53           HA       VAL  53 105.046   8.233  -3.612
  417    HB   VAL  53           HB       VAL  53 107.895   8.569  -2.611
  418   1HG1  VAL  53          1HG1      VAL  53 108.338   7.029  -4.209
  419   2HG1  VAL  53          2HG1      VAL  53 107.950   8.305  -5.363
  420   3HG1  VAL  53          3HG1      VAL  53 106.713   7.141  -4.888
  421   1HG2  VAL  53          1HG2      VAL  53 107.717  10.204  -4.734
  422   2HG2  VAL  53          2HG2      VAL  53 107.306  10.745  -3.107
  423   3HG2  VAL  53          3HG2      VAL  53 106.030  10.256  -4.222
  424    H    ALA  54           H        ALA  54 106.807   7.360  -0.643
  425    HA   ALA  54           HA       ALA  54 107.073   4.551  -1.225
  426   1HB   ALA  54          1HB       ALA  54 108.163   4.592   0.781
  427   2HB   ALA  54          2HB       ALA  54 106.829   5.410   1.593
  428   3HB   ALA  54          3HB       ALA  54 107.986   6.341   0.643
  429    H    GLU  55           H        GLU  55 104.523   6.477   0.310
  430    HA   GLU  55           HA       GLU  55 103.019   4.179   1.290
  431   1HB   GLU  55          2HB       GLU  55 102.973   6.471   2.258
  432   2HB   GLU  55          1HB       GLU  55 102.219   7.063   0.777
  433   1HG   GLU  55          2HG       GLU  55 100.200   6.035   1.227
  434   2HG   GLU  55          1HG       GLU  55 100.946   4.740   2.161
  435    H    LEU  56           H        LEU  56 102.801   6.310  -1.560
  436    HA   LEU  56           HA       LEU  56 100.352   5.407  -2.646
  437   1HB   LEU  56          2HB       LEU  56 101.574   7.332  -3.475
  438   2HB   LEU  56          1HB       LEU  56 102.947   6.324  -3.925
  439    HG   LEU  56           HG       LEU  56 101.423   5.093  -5.514
  440   1HD1  LEU  56          1HD1      LEU  56  99.227   5.439  -4.926
  441   2HD1  LEU  56          2HD1      LEU  56  99.390   6.759  -6.084
  442   3HD1  LEU  56          3HD1      LEU  56  99.528   7.079  -4.355
  443   1HD2  LEU  56          1HD2      LEU  56 101.382   6.945  -7.187
  444   2HD2  LEU  56          2HD2      LEU  56 102.922   6.843  -6.335
  445   3HD2  LEU  56          3HD2      LEU  56 101.751   8.087  -5.895
  446    H    LEU  57           H        LEU  57 103.590   4.314  -3.734
  447    HA   LEU  57           HA       LEU  57 102.665   2.106  -5.263
  448   1HB   LEU  57          2HB       LEU  57 105.274   2.574  -3.787
  449   2HB   LEU  57          1HB       LEU  57 105.045   1.395  -5.077
  450    HG   LEU  57           HG       LEU  57 104.174   4.169  -5.680
  451   1HD1  LEU  57          1HD1      LEU  57 106.930   3.463  -4.859
  452   2HD1  LEU  57          2HD1      LEU  57 106.139   5.037  -4.912
  453   3HD1  LEU  57          3HD1      LEU  57 106.804   4.335  -6.385
  454   1HD2  LEU  57          1HD2      LEU  57 105.896   2.221  -7.234
  455   2HD2  LEU  57          2HD2      LEU  57 104.979   3.585  -7.871
  456   3HD2  LEU  57          3HD2      LEU  57 104.133   2.168  -7.248
  457    H    LEU  58           H        LEU  58 103.340   2.374  -1.799
  458    HA   LEU  58           HA       LEU  58 103.526  -0.389  -1.146
  459   1HB   LEU  58          2HB       LEU  58 104.039   1.544   0.331
  460   2HB   LEU  58          1HB       LEU  58 102.314   1.897   0.439
  461    HG   LEU  58           HG       LEU  58 102.337  -0.754   1.086
  462   1HD1  LEU  58          1HD1      LEU  58 104.448  -0.150   2.921
  463   2HD1  LEU  58          2HD1      LEU  58 105.053   0.110   1.285
  464   3HD1  LEU  58          3HD1      LEU  58 104.372  -1.453   1.734
  465   1HD2  LEU  58          1HD2      LEU  58 102.829   0.738   3.491
  466   2HD2  LEU  58          2HD2      LEU  58 101.286   0.177   2.848
  467   3HD2  LEU  58          3HD2      LEU  58 101.915   1.755   2.378
  468    H    LEU  59           H        LEU  59 100.616   1.628  -0.533
  469    HA   LEU  59           HA       LEU  59  98.809  -0.466  -0.070
  470   1HB   LEU  59          2HB       LEU  59  97.115   1.212  -0.484
  471   2HB   LEU  59          1HB       LEU  59  98.506   2.025   0.231
  472    HG   LEU  59           HG       LEU  59  99.110   2.162  -2.440
  473   1HD1  LEU  59          1HD1      LEU  59  97.170   1.499  -3.481
  474   2HD1  LEU  59          2HD1      LEU  59  96.746   3.188  -3.202
  475   3HD1  LEU  59          3HD1      LEU  59  96.158   1.939  -2.105
  476   1HD2  LEU  59          1HD2      LEU  59  99.148   3.970  -0.688
  477   2HD2  LEU  59          2HD2      LEU  59  97.411   4.171  -0.930
  478   3HD2  LEU  59          3HD2      LEU  59  98.531   4.511  -2.250
  479    H    HIS  60           H        HIS  60 100.117   0.639  -3.131
  480    HA   HIS  60           HA       HIS  60  98.094  -0.711  -4.768
  481   1HB   HIS  60          2HB       HIS  60 100.650   0.811  -5.148
  482   2HB   HIS  60          1HB       HIS  60 100.041  -0.161  -6.489
  483    HD1  HIS  60           HD1      HIS  60  99.607   3.072  -4.860
  484    HD2  HIS  60           HD2      HIS  60  97.222   0.553  -7.172
  485    HE1  HIS  60           HE1      HIS  60  97.660   4.474  -5.674
  486    H    GLY  61           H        GLY  61 101.644  -1.207  -4.627
  487   1HA   GLY  61          2HA       GLY  61 101.651  -3.906  -3.911
  488   2HA   GLY  61          1HA       GLY  61 101.490  -3.854  -5.662
  489    H    ALA  62           H        ALA  62 103.313  -1.623  -3.589
  490    HA   ALA  62           HA       ALA  62 105.608  -1.558  -5.290
  491   1HB   ALA  62          1HB       ALA  62 105.915   0.167  -3.862
  492   2HB   ALA  62          2HB       ALA  62 106.358  -0.988  -2.607
  493   3HB   ALA  62          3HB       ALA  62 104.680  -0.476  -2.781
  494    H    GLU  63           H        GLU  63 107.808  -2.027  -3.664
  495    HA   GLU  63           HA       GLU  63 107.636  -4.960  -3.064
  496   1HB   GLU  63          2HB       GLU  63 109.424  -3.329  -4.802
  497   2HB   GLU  63          1HB       GLU  63 110.191  -4.630  -3.891
  498   1HG   GLU  63          2HG       GLU  63 109.313  -6.200  -5.251
  499   2HG   GLU  63          1HG       GLU  63 107.692  -5.531  -5.067
  500    HA   PRO  64           HA       PRO  64 109.394  -2.612   0.515
  501   1HB   PRO  64          2HB       PRO  64 107.666  -3.572   2.404
  502   2HB   PRO  64          1HB       PRO  64 107.319  -2.136   1.421
  503   1HG   PRO  64          2HG       PRO  64 106.266  -4.893   1.178
  504   2HG   PRO  64          1HG       PRO  64 105.488  -3.347   0.812
  505   1HD   PRO  64          2HD       PRO  64 106.571  -5.089  -1.060
  506   2HD   PRO  64          1HD       PRO  64 106.212  -3.374  -1.339
  507    H    ASN  65           H        ASN  65 108.293  -5.959   0.169
  508    HA   ASN  65           HA       ASN  65 110.292  -6.906   2.155
  509   1HB   ASN  65          2HB       ASN  65 107.966  -7.753   2.166
  510   2HB   ASN  65          1HB       ASN  65 108.167  -8.321   0.508
  511   1HD2  ASN  65          1HD2      ASN  65 110.483  -8.537   3.255
  512   2HD2  ASN  65          2HD2      ASN  65 110.587 -10.230   3.229
  513    H    CYS  66           H        CYS  66 109.649  -6.875  -1.311
  514    HA   CYS  66           HA       CYS  66 111.524  -8.859  -2.140
  515   1HB   CYS  66          2HB       CYS  66 109.765  -6.951  -3.254
  516   2HB   CYS  66          1HB       CYS  66 111.338  -6.700  -3.998
  517    HG   CYS  66           HG       CYS  66 111.201  -8.935  -5.116
  518    H    ALA  67           H        ALA  67 113.578  -8.244  -3.430
  519    HA   ALA  67           HA       ALA  67 114.972  -5.789  -2.716
  520   1HB   ALA  67          1HB       ALA  67 115.473  -6.563  -0.625
  521   2HB   ALA  67          2HB       ALA  67 116.698  -7.506  -1.472
  522   3HB   ALA  67          3HB       ALA  67 115.147  -8.239  -1.064
  523    H    ASP  68           H        ASP  68 117.482  -6.220  -3.223
  524    HA   ASP  68           HA       ASP  68 117.590  -7.252  -5.954
  525   1HB   ASP  68          2HB       ASP  68 118.771  -5.223  -4.911
  526   2HB   ASP  68          1HB       ASP  68 119.872  -6.382  -4.167
  527    HA   PRO  69           HA       PRO  69 118.822 -11.317  -4.600
  528   1HB   PRO  69          2HB       PRO  69 119.291 -12.378  -7.074
  529   2HB   PRO  69          1HB       PRO  69 117.657 -12.134  -6.425
  530   1HG   PRO  69          2HG       PRO  69 119.162 -10.531  -8.417
  531   2HG   PRO  69          1HG       PRO  69 117.429 -10.877  -8.318
  532   1HD   PRO  69          2HD       PRO  69 118.609  -8.504  -7.551
  533   2HD   PRO  69          1HD       PRO  69 117.028  -9.082  -6.985
  534    H    ALA  70           H        ALA  70 120.715  -9.180  -6.626
  535    HA   ALA  70           HA       ALA  70 123.146 -10.766  -6.664
  536   1HB   ALA  70          1HB       ALA  70 122.886  -9.158  -8.367
  537   2HB   ALA  70          2HB       ALA  70 124.043  -8.392  -7.279
  538   3HB   ALA  70          3HB       ALA  70 122.345  -7.918  -7.236
  539    H    THR  71           H        THR  71 121.773  -8.377  -4.457
  540    HA   THR  71           HA       THR  71 124.075  -8.867  -2.609
  541    HB   THR  71           HB       THR  71 122.821  -6.160  -3.117
  542    HG1  THR  71           HG1      THR  71 124.706  -5.809  -4.403
  543   1HG2  THR  71          1HG2      THR  71 124.003  -5.861  -1.183
  544   2HG2  THR  71          2HG2      THR  71 125.358  -5.716  -2.302
  545   3HG2  THR  71          3HG2      THR  71 125.048  -7.249  -1.485
  546    H    LEU  72           H        LEU  72 120.987  -9.489  -2.884
  547    HA   LEU  72           HA       LEU  72 119.092  -9.527  -1.451
  548   1HB   LEU  72          2HB       LEU  72 121.409 -10.626  -0.361
  549   2HB   LEU  72          1HB       LEU  72 120.778  -9.619   0.940
  550    HG   LEU  72           HG       LEU  72 119.195 -11.715  -0.576
  551   1HD1  LEU  72          1HD1      LEU  72 119.761 -11.880   2.348
  552   2HD1  LEU  72          2HD1      LEU  72 121.085 -12.264   1.248
  553   3HD1  LEU  72          3HD1      LEU  72 119.578 -13.175   1.164
  554   1HD2  LEU  72          1HD2      LEU  72 117.649 -11.242   1.488
  555   2HD2  LEU  72          2HD2      LEU  72 117.609 -10.131   0.119
  556   3HD2  LEU  72          3HD2      LEU  72 118.522  -9.711   1.569
  557    H    THR  73           H        THR  73 120.269  -6.799  -1.974
  558    HA   THR  73           HA       THR  73 120.206  -5.281   0.492
  559    HB   THR  73           HB       THR  73 119.651  -3.598  -1.697
  560    HG1  THR  73           HG1      THR  73 121.030  -4.411  -3.282
  561   1HG2  THR  73          1HG2      THR  73 122.478  -4.301  -1.139
  562   2HG2  THR  73          2HG2      THR  73 121.517  -3.789   0.250
  563   3HG2  THR  73          3HG2      THR  73 121.688  -2.724  -1.145
  564    H    ARG  74           H        ARG  74 118.460  -4.363   1.514
  565    HA   ARG  74           HA       ARG  74 115.763  -4.765   0.276
  566   1HB   ARG  74          2HB       ARG  74 116.877  -4.597   3.073
  567   2HB   ARG  74          1HB       ARG  74 115.151  -4.371   2.785
  568   1HG   ARG  74          2HG       ARG  74 115.904  -6.649   1.283
  569   2HG   ARG  74          1HG       ARG  74 116.664  -6.832   2.862
  570   1HD   ARG  74          2HD       ARG  74 114.657  -7.089   3.939
  571   2HD   ARG  74          1HD       ARG  74 113.840  -5.901   2.902
  572    HE   ARG  74           HE       ARG  74 113.404  -7.630   1.315
  573   1HH1  ARG  74          2HH1      ARG  74 116.311  -8.728   1.820
  574   2HH1  ARG  74          1HH1      ARG  74 115.924 -10.353   2.275
  575   1HH2  ARG  74          1HH2      ARG  74 112.555  -9.701   2.758
  576   2HH2  ARG  74          2HH2      ARG  74 113.800 -10.905   2.804
  577    HA   PRO  75           HA       PRO  75 115.090  -0.411   0.062
  578   1HB   PRO  75          2HB       PRO  75 112.492  -0.161   0.887
  579   2HB   PRO  75          1HB       PRO  75 112.944  -0.851  -0.685
  580   1HG   PRO  75          2HG       PRO  75 112.161  -2.237   1.832
  581   2HG   PRO  75          1HG       PRO  75 111.740  -2.619   0.155
  582   1HD   PRO  75          2HD       PRO  75 113.655  -3.954   1.551
  583   2HD   PRO  75          1HD       PRO  75 113.694  -3.756  -0.216
  584    H    VAL  76           H        VAL  76 114.451  -2.044   3.101
  585    HA   VAL  76           HA       VAL  76 113.988   0.168   4.829
  586    HB   VAL  76           HB       VAL  76 115.492  -2.432   5.298
  587   1HG1  VAL  76          1HG1      VAL  76 113.927  -0.800   7.310
  588   2HG1  VAL  76          2HG1      VAL  76 115.661  -0.591   7.074
  589   3HG1  VAL  76          3HG1      VAL  76 115.028  -2.142   7.622
  590   1HG2  VAL  76          1HG2      VAL  76 112.565  -1.694   5.273
  591   2HG2  VAL  76          2HG2      VAL  76 113.149  -3.072   6.204
  592   3HG2  VAL  76          3HG2      VAL  76 113.367  -3.033   4.455
  593    H    HIS  77           H        HIS  77 116.955  -1.059   3.376
  594    HA   HIS  77           HA       HIS  77 118.829   0.333   5.072
  595   1HB   HIS  77          2HB       HIS  77 118.816  -0.945   2.349
  596   2HB   HIS  77          1HB       HIS  77 120.231  -0.030   2.868
  597    HD1  HIS  77           HD1      HIS  77 118.191  -3.076   3.749
  598    HD2  HIS  77           HD2      HIS  77 121.784  -1.281   4.867
  599    HE1  HIS  77           HE1      HIS  77 119.399  -4.748   5.216
  600    H    ASP  78           H        ASP  78 117.081   1.209   2.116
  601    HA   ASP  78           HA       ASP  78 118.545   3.702   1.707
  602   1HB   ASP  78          2HB       ASP  78 115.880   2.727   0.626
  603   2HB   ASP  78          1HB       ASP  78 116.876   4.013  -0.059
  604    H    ALA  79           H        ALA  79 115.136   3.013   2.658
  605    HA   ALA  79           HA       ALA  79 114.363   5.641   3.324
  606   1HB   ALA  79          1HB       ALA  79 113.512   3.320   5.019
  607   2HB   ALA  79          2HB       ALA  79 113.159   3.271   3.291
  608   3HB   ALA  79          3HB       ALA  79 112.525   4.583   4.285
  609    H    ALA  80           H        ALA  80 116.434   3.420   5.071
  610    HA   ALA  80           HA       ALA  80 116.383   5.009   7.553
  611   1HB   ALA  80          1HB       ALA  80 116.601   2.521   7.467
  612   2HB   ALA  80          2HB       ALA  80 117.961   3.282   8.293
  613   3HB   ALA  80          3HB       ALA  80 118.143   2.712   6.634
  614    H    ARG  81           H        ARG  81 118.190   4.850   4.588
  615    HA   ARG  81           HA       ARG  81 120.626   6.124   5.556
  616   1HB   ARG  81          2HB       ARG  81 120.491   4.633   3.587
  617   2HB   ARG  81          1HB       ARG  81 119.413   5.779   2.792
  618   1HG   ARG  81          2HG       ARG  81 121.518   6.309   1.884
  619   2HG   ARG  81          1HG       ARG  81 121.328   7.500   3.169
  620   1HD   ARG  81          2HD       ARG  81 122.711   6.181   4.678
  621   2HD   ARG  81          1HD       ARG  81 122.806   4.866   3.490
  622    HE   ARG  81           HE       ARG  81 123.914   6.571   1.954
  623   1HH1  ARG  81          1HH2      ARG  81 124.986   5.887   4.982
  624   2HH1  ARG  81          2HH2      ARG  81 125.904   7.337   5.215
  625   1HH2  ARG  81          2HH1      ARG  81 124.614   8.918   2.409
  626   2HH2  ARG  81          1HH1      ARG  81 125.693   9.054   3.758
  627    H    GLU  82           H        GLU  82 117.474   7.250   4.643
  628    HA   GLU  82           HA       GLU  82 118.478  10.010   4.126
  629   1HB   GLU  82          2HB       GLU  82 115.643   8.963   3.951
  630   2HB   GLU  82          1HB       GLU  82 116.333  10.359   3.128
  631   1HG   GLU  82          2HG       GLU  82 116.973   7.441   2.609
  632   2HG   GLU  82          1HG       GLU  82 116.150   8.556   1.521
  633    H    GLY  83           H        GLY  83 116.450   8.148   6.363
  634   1HA   GLY  83          2HA       GLY  83 116.287   8.786   8.712
  635   2HA   GLY  83          1HA       GLY  83 116.551  10.463   8.235
  636    H    PHE  84           H        PHE  84 114.318   8.264   6.611
  637    HA   PHE  84           HA       PHE  84 112.090  10.112   7.358
  638   1HB   PHE  84          2HB       PHE  84 113.007   8.977   4.955
  639   2HB   PHE  84          1HB       PHE  84 111.534   8.087   5.336
  640    HD1  PHE  84           HD1      PHE  84 112.938  11.285   4.307
  641    HD2  PHE  84           HD2      PHE  84 109.384   9.319   5.706
  642    HE1  PHE  84           HE1      PHE  84 111.575  13.217   3.558
  643    HE2  PHE  84           HE2      PHE  84 108.021  11.252   4.956
  644    HZ   PHE  84           HZ       PHE  84 109.116  13.199   3.881
  645    H    LEU  85           H        LEU  85 111.172   9.313   9.245
  646    HA   LEU  85           HA       LEU  85 110.981   6.457   9.821
  647   1HB   LEU  85          2HB       LEU  85 110.377   9.069  11.066
  648   2HB   LEU  85          1HB       LEU  85 109.300   7.764  11.559
  649    HG   LEU  85           HG       LEU  85 111.258   7.912  13.056
  650   1HD1  LEU  85          1HD1      LEU  85 110.173   5.658  12.036
  651   2HD1  LEU  85          2HD1      LEU  85 111.472   5.637  13.230
  652   3HD1  LEU  85          3HD1      LEU  85 111.845   5.436  11.517
  653   1HD2  LEU  85          1HD2      LEU  85 113.446   7.886  12.313
  654   2HD2  LEU  85          2HD2      LEU  85 112.690   8.680  10.932
  655   3HD2  LEU  85          3HD2      LEU  85 113.057   6.956  10.867
  656    H    ASP  86           H        ASP  86 108.985   8.823   8.211
  657    HA   ASP  86           HA       ASP  86 106.423   7.559   8.568
  658   1HB   ASP  86          2HB       ASP  86 106.984   9.923   7.817
  659   2HB   ASP  86          1HB       ASP  86 107.396   9.242   6.245
  660    H    THR  87           H        THR  87 108.787   7.415   5.865
  661    HA   THR  87           HA       THR  87 107.293   5.538   4.286
  662    HB   THR  87           HB       THR  87 110.267   6.126   4.460
  663    HG1  THR  87           HG1      THR  87 109.831   7.638   2.915
  664   1HG2  THR  87          1HG2      THR  87 110.364   4.322   3.076
  665   2HG2  THR  87          2HG2      THR  87 109.760   5.456   1.868
  666   3HG2  THR  87          3HG2      THR  87 108.640   4.386   2.711
  667    H    LEU  88           H        LEU  88 109.668   5.134   6.889
  668    HA   LEU  88           HA       LEU  88 110.164   2.336   6.577
  669   1HB   LEU  88          2HB       LEU  88 110.589   4.480   8.507
  670   2HB   LEU  88          1HB       LEU  88 110.242   2.952   9.317
  671    HG   LEU  88           HG       LEU  88 111.958   2.049   7.457
  672   1HD1  LEU  88          1HD1      LEU  88 112.749   4.927   7.987
  673   2HD1  LEU  88          2HD1      LEU  88 112.342   4.219   6.425
  674   3HD1  LEU  88          3HD1      LEU  88 113.812   3.721   7.263
  675   1HD2  LEU  88          1HD2      LEU  88 112.577   1.500   9.604
  676   2HD2  LEU  88          2HD2      LEU  88 112.284   3.128  10.216
  677   3HD2  LEU  88          3HD2      LEU  88 113.763   2.774   9.322
  678    H    VAL  89           H        VAL  89 107.768   4.056   8.616
  679    HA   VAL  89           HA       VAL  89 106.506   1.750   9.724
  680    HB   VAL  89           HB       VAL  89 105.395   4.484   8.996
  681   1HG1  VAL  89          1HG1      VAL  89 104.335   2.161  10.533
  682   2HG1  VAL  89          2HG1      VAL  89 103.469   3.366   9.580
  683   3HG1  VAL  89          3HG1      VAL  89 104.040   3.766  11.201
  684   1HG2  VAL  89          1HG2      VAL  89 106.348   5.309  10.914
  685   2HG2  VAL  89          2HG2      VAL  89 107.505   4.009  10.626
  686   3HG2  VAL  89          3HG2      VAL  89 106.187   3.777  11.774
  687    H    VAL  90           H        VAL  90 105.881   3.562   6.727
  688    HA   VAL  90           HA       VAL  90 103.533   2.320   5.839
  689    HB   VAL  90           HB       VAL  90 105.984   3.269   4.322
  690   1HG1  VAL  90          1HG1      VAL  90 103.133   2.976   3.337
  691   2HG1  VAL  90          2HG1      VAL  90 104.426   1.835   2.971
  692   3HG1  VAL  90          3HG1      VAL  90 104.528   3.498   2.394
  693   1HG2  VAL  90          1HG2      VAL  90 105.139   5.403   4.496
  694   2HG2  VAL  90          2HG2      VAL  90 104.460   4.743   5.984
  695   3HG2  VAL  90          3HG2      VAL  90 103.465   4.848   4.532
  696    H    LEU  91           H        LEU  91 106.897   1.354   5.054
  697    HA   LEU  91           HA       LEU  91 106.370  -0.972   3.570
  698   1HB   LEU  91          2HB       LEU  91 108.554   0.058   5.326
  699   2HB   LEU  91          1HB       LEU  91 108.644  -1.633   4.832
  700    HG   LEU  91           HG       LEU  91 108.028  -0.526   2.455
  701   1HD1  LEU  91          1HD1      LEU  91 109.620   1.543   2.386
  702   2HD1  LEU  91          2HD1      LEU  91 109.330   1.615   4.124
  703   3HD1  LEU  91          3HD1      LEU  91 107.979   1.757   2.997
  704   1HD2  LEU  91          1HD2      LEU  91 110.588  -0.408   2.117
  705   2HD2  LEU  91          2HD2      LEU  91 109.916  -1.949   2.649
  706   3HD2  LEU  91          3HD2      LEU  91 110.704  -0.882   3.811
  707    H    HIS  92           H        HIS  92 106.937  -0.784   7.115
  708    HA   HIS  92           HA       HIS  92 106.452  -3.540   7.670
  709   1HB   HIS  92          2HB       HIS  92 107.300  -1.382   9.050
  710   2HB   HIS  92          1HB       HIS  92 105.637  -1.449   9.633
  711    HD1  HIS  92           HD1      HIS  92 106.896  -2.125  11.966
  712    HD2  HIS  92           HD2      HIS  92 106.978  -4.975   8.924
  713    HE1  HIS  92           HE1      HIS  92 107.501  -4.328  13.061
  714    H    ARG  93           H        ARG  93 104.259  -0.886   7.040
  715    HA   ARG  93           HA       ARG  93 101.888  -2.082   8.212
  716   1HB   ARG  93          2HB       ARG  93 102.649   0.370   7.285
  717   2HB   ARG  93          1HB       ARG  93 101.652  -0.189   5.942
  718   1HG   ARG  93          2HG       ARG  93  99.725  -0.210   7.198
  719   2HG   ARG  93          1HG       ARG  93 100.578  -0.600   8.692
  720   1HD   ARG  93          2HD       ARG  93 101.128   2.070   7.454
  721   2HD   ARG  93          1HD       ARG  93  99.582   1.845   8.295
  722    HE   ARG  93           HE       ARG  93 102.272   1.529   9.541
  723   1HH1  ARG  93          2HH1      ARG  93  99.269   0.221  10.018
  724   2HH1  ARG  93          1HH1      ARG  93  99.009   0.884  11.597
  725   1HH2  ARG  93          1HH2      ARG  93 101.765   2.986  11.453
  726   2HH2  ARG  93          2HH2      ARG  93 100.424   2.450  12.410
  727    H    ALA  94           H        ALA  94 103.567  -2.461   5.166
  728    HA   ALA  94           HA       ALA  94 101.327  -4.124   4.164
  729   1HB   ALA  94          1HB       ALA  94 101.403  -2.825   2.322
  730   2HB   ALA  94          2HB       ALA  94 103.092  -3.269   2.078
  731   3HB   ALA  94          3HB       ALA  94 102.683  -1.870   3.070
  732    H    GLY  95           H        GLY  95 103.545  -5.049   5.865
  733   1HA   GLY  95          2HA       GLY  95 104.842  -7.023   5.908
  734   2HA   GLY  95          1HA       GLY  95 104.421  -7.284   4.215
  735    H    ALA  96           H        ALA  96 106.944  -6.493   6.265
  736    HA   ALA  96           HA       ALA  96 108.676  -5.811   3.971
  737   1HB   ALA  96          1HB       ALA  96 107.966  -3.619   4.494
  738   2HB   ALA  96          2HB       ALA  96 109.481  -3.772   5.385
  739   3HB   ALA  96          3HB       ALA  96 107.941  -3.946   6.228
  740    H    ARG  97           H        ARG  97 110.646  -6.779   4.299
  741    HA   ARG  97           HA       ARG  97 111.174  -8.201   6.797
  742   1HB   ARG  97          2HB       ARG  97 111.757  -9.196   4.671
  743   2HB   ARG  97          1HB       ARG  97 112.682  -7.773   4.198
  744   1HG   ARG  97          2HG       ARG  97 114.517  -8.734   5.088
  745   2HG   ARG  97          1HG       ARG  97 113.762  -8.608   6.674
  746   1HD   ARG  97          2HD       ARG  97 113.368 -10.926   4.752
  747   2HD   ARG  97          1HD       ARG  97 114.405 -10.953   6.190
  748    HE   ARG  97           HE       ARG  97 112.359 -10.521   7.553
  749   1HH1  ARG  97          2HH1      ARG  97 112.258 -12.834   5.249
  750   2HH1  ARG  97          1HH1      ARG  97 110.542 -12.840   5.018
  751   1HH2  ARG  97          1HH2      ARG  97 110.020  -9.938   6.844
  752   2HH2  ARG  97          2HH2      ARG  97 109.275 -11.201   5.920
  753    H    LEU  98           H        LEU  98 112.683  -7.630   8.375
  754    HA   LEU  98           HA       LEU  98 114.235  -5.100   7.962
  755   1HB   LEU  98          2HB       LEU  98 112.259  -5.902  10.067
  756   2HB   LEU  98          1HB       LEU  98 113.613  -4.877  10.543
  757    HG   LEU  98           HG       LEU  98 112.756  -3.705   8.183
  758   1HD1  LEU  98          1HD1      LEU  98 110.701  -4.681   7.855
  759   2HD1  LEU  98          2HD1      LEU  98 110.214  -3.421   8.989
  760   3HD1  LEU  98          3HD1      LEU  98 110.492  -5.065   9.564
  761   1HD2  LEU  98          1HD2      LEU  98 113.259  -2.897  10.701
  762   2HD2  LEU  98          2HD2      LEU  98 111.499  -2.783  10.726
  763   3HD2  LEU  98          3HD2      LEU  98 112.425  -1.871   9.535
  764    H    ASP  99           H        ASP  99 114.595  -8.285   8.323
  765    HA   ASP  99           HA       ASP  99 116.780  -8.104  10.363
  766   1HB   ASP  99          2HB       ASP  99 116.444 -10.560  10.513
  767   2HB   ASP  99          1HB       ASP  99 114.938  -9.690  10.809
  768    H    VAL 100           H        VAL 100 116.776  -7.422   7.355
  769    HA   VAL 100           HA       VAL 100 118.618  -9.463   6.250
  770    HB   VAL 100           HB       VAL 100 116.784  -8.480   4.909
  771   1HG1  VAL 100          1HG1      VAL 100 117.938  -5.872   4.452
  772   2HG1  VAL 100          2HG1      VAL 100 117.614  -6.088   6.173
  773   3HG1  VAL 100          3HG1      VAL 100 116.312  -6.283   4.999
  774   1HG2  VAL 100          1HG2      VAL 100 119.270  -8.989   4.047
  775   2HG2  VAL 100          2HG2      VAL 100 119.227  -7.261   3.696
  776   3HG2  VAL 100          3HG2      VAL 100 118.032  -8.337   2.972
  777    H    CYS 101           H        CYS 101 120.829  -9.029   5.831
  778    HA   CYS 101           HA       CYS 101 121.904  -6.517   7.073
  779   1HB   CYS 101          2HB       CYS 101 123.236  -9.216   6.667
  780   2HB   CYS 101          1HB       CYS 101 123.869  -7.864   7.604
  781    HG   CYS 101           HG       CYS 101 122.495  -9.774   9.052
  782    H    ASP 102           H        ASP 102 121.033  -6.528   4.339
  783    HA   ASP 102           HA       ASP 102 121.812  -5.997   2.172
  784   1HB   ASP 102          2HB       ASP 102 122.838  -4.219   3.537
  785   2HB   ASP 102          1HB       ASP 102 124.216  -5.264   3.878
  786    H    ALA 103           H        ALA 103 121.839  -8.520   2.020
  787    HA   ALA 103           HA       ALA 103 122.874 -10.414   1.077
  788   1HB   ALA 103          1HB       ALA 103 123.984  -9.555  -0.693
  789   2HB   ALA 103          2HB       ALA 103 125.412  -9.438   0.333
  790   3HB   ALA 103          3HB       ALA 103 124.321  -8.062   0.183
  791    H    TRP 104           H        TRP 104 125.826  -8.789   2.207
  792    HA   TRP 104           HA       TRP 104 126.026 -10.548   4.570
  793   1HB   TRP 104          2HB       TRP 104 128.448 -11.083   3.417
  794   2HB   TRP 104          1HB       TRP 104 127.046 -12.138   3.274
  795    HD1  TRP 104           HD1      TRP 104 126.531 -12.795   0.892
  796    HE1  TRP 104           HE1      TRP 104 126.849 -11.744  -1.439
  797    HE3  TRP 104           HE3      TRP 104 128.665  -8.342   2.210
  798    HZ2  TRP 104           HZ2      TRP 104 127.871  -9.338  -2.593
  799    HZ3  TRP 104           HZ3      TRP 104 129.298  -6.692   0.474
  800    HH2  TRP 104           HH2      TRP 104 128.904  -7.184  -1.925
  801    H    GLY 105           H        GLY 105 125.860  -7.746   4.447
  802   1HA   GLY 105          2HA       GLY 105 128.635  -6.976   5.241
  803   2HA   GLY 105          1HA       GLY 105 127.629  -5.888   4.286
  804    H    ARG 106           H        ARG 106 126.640  -4.346   5.471
  805    HA   ARG 106           HA       ARG 106 126.350  -4.730   8.403
  806   1HB   ARG 106          2HB       ARG 106 126.018  -2.345   6.552
  807   2HB   ARG 106          1HB       ARG 106 125.942  -2.272   8.313
  808   1HG   ARG 106          2HG       ARG 106 128.205  -2.533   8.559
  809   2HG   ARG 106          1HG       ARG 106 128.338  -3.599   7.160
  810   1HD   ARG 106          2HD       ARG 106 128.422  -1.802   5.638
  811   2HD   ARG 106          1HD       ARG 106 127.696  -0.670   6.795
  812    HE   ARG 106           HE       ARG 106 130.342  -1.875   7.447
  813   1HH1  ARG 106          1HH2      ARG 106 128.922   0.407   8.933
  814   2HH1  ARG 106          2HH2      ARG 106 129.840   1.769   8.385
  815   1HH2  ARG 106          2HH1      ARG 106 131.296   0.061   5.742
  816   2HH2  ARG 106          1HH1      ARG 106 131.185   1.574   6.578
  817    H    LEU 107           H        LEU 107 124.251  -3.417   9.199
  818    HA   LEU 107           HA       LEU 107 121.916  -4.698   7.841
  819   1HB   LEU 107          2HB       LEU 107 122.738  -3.961  10.611
  820   2HB   LEU 107          1HB       LEU 107 121.014  -3.874  10.252
  821    HG   LEU 107           HG       LEU 107 121.414  -6.242   9.175
  822   1HD1  LEU 107          1HD1      LEU 107 123.704  -6.603   9.306
  823   2HD1  LEU 107          2HD1      LEU 107 123.177  -7.364  10.807
  824   3HD1  LEU 107          3HD1      LEU 107 123.858  -5.737  10.834
  825   1HD2  LEU 107          1HD2      LEU 107 121.449  -5.860  12.186
  826   2HD2  LEU 107          2HD2      LEU 107 120.854  -7.278  11.321
  827   3HD2  LEU 107          3HD2      LEU 107 120.009  -5.737  11.175
  828    HA   PRO 108           HA       PRO 108 120.088  -0.829   6.814
  829   1HB   PRO 108          2HB       PRO 108 117.555  -0.932   7.864
  830   2HB   PRO 108          1HB       PRO 108 118.052  -1.858   6.433
  831   1HG   PRO 108          2HG       PRO 108 117.813  -2.748   9.272
  832   2HG   PRO 108          1HG       PRO 108 117.334  -3.584   7.785
  833   1HD   PRO 108          2HD       PRO 108 119.604  -4.193   9.105
  834   2HD   PRO 108          1HD       PRO 108 119.478  -4.302   7.336
  835    H    VAL 109           H        VAL 109 120.194  -1.739  10.171
  836    HA   VAL 109           HA       VAL 109 119.463   0.914  11.201
  837    HB   VAL 109           HB       VAL 109 118.971  -1.234  12.356
  838   1HG1  VAL 109          1HG1      VAL 109 120.556  -2.799  12.796
  839   2HG1  VAL 109          2HG1      VAL 109 121.735  -1.592  13.307
  840   3HG1  VAL 109          3HG1      VAL 109 121.520  -1.944  11.593
  841   1HG2  VAL 109          1HG2      VAL 109 119.013   0.566  13.861
  842   2HG2  VAL 109          2HG2      VAL 109 120.745   0.822  13.653
  843   3HG2  VAL 109          3HG2      VAL 109 120.164  -0.559  14.584
  844    H    ASP 110           H        ASP 110 122.368  -0.773  10.232
  845    HA   ASP 110           HA       ASP 110 124.329   0.675  11.723
  846   1HB   ASP 110          2HB       ASP 110 124.225  -0.799   9.097
  847   2HB   ASP 110          1HB       ASP 110 125.710   0.005   9.603
  848    H    LEU 111           H        LEU 111 122.490   1.496   8.838
  849    HA   LEU 111           HA       LEU 111 124.080   3.602   7.783
  850   1HB   LEU 111          2HB       LEU 111 121.165   2.867   7.846
  851   2HB   LEU 111          1HB       LEU 111 121.639   4.410   7.138
  852    HG   LEU 111           HG       LEU 111 121.533   2.654   5.412
  853   1HD1  LEU 111          1HD1      LEU 111 124.464   3.151   5.843
  854   2HD1  LEU 111          2HD1      LEU 111 123.384   4.514   5.550
  855   3HD1  LEU 111          3HD1      LEU 111 123.529   3.229   4.350
  856   1HD2  LEU 111          1HD2      LEU 111 122.984   0.720   5.484
  857   2HD2  LEU 111          2HD2      LEU 111 122.088   0.774   7.002
  858   3HD2  LEU 111          3HD2      LEU 111 123.769   1.304   6.953
  859    H    ALA 112           H        ALA 112 121.111   4.111   9.718
  860    HA   ALA 112           HA       ALA 112 121.727   6.811  10.439
  861   1HB   ALA 112          1HB       ALA 112 120.096   5.757  12.440
  862   2HB   ALA 112          2HB       ALA 112 119.784   4.703  11.061
  863   3HB   ALA 112          3HB       ALA 112 119.533   6.442  10.916
  864    H    GLU 113           H        GLU 113 122.242   3.730  12.182
  865    HA   GLU 113           HA       GLU 113 123.228   4.637  14.625
  866   1HB   GLU 113          2HB       GLU 113 123.854   2.330  12.799
  867   2HB   GLU 113          1HB       GLU 113 124.754   2.516  14.305
  868   1HG   GLU 113          2HG       GLU 113 121.742   2.636  14.288
  869   2HG   GLU 113          1HG       GLU 113 122.585   1.087  14.354
  870    H    GLU 114           H        GLU 114 124.788   4.613  11.474
  871    HA   GLU 114           HA       GLU 114 127.469   5.224  12.332
  872   1HB   GLU 114          2HB       GLU 114 126.316   4.463  10.040
  873   2HB   GLU 114          1HB       GLU 114 126.321   6.201   9.742
  874   1HG   GLU 114          2HG       GLU 114 128.711   6.320  10.004
  875   2HG   GLU 114          1HG       GLU 114 128.784   4.657  10.591
  876    H    GLN 115           H        GLN 115 125.064   7.365  10.746
  877    HA   GLN 115           HA       GLN 115 125.113   9.491  12.622
  878   1HB   GLN 115          2HB       GLN 115 127.529   9.153  11.053
  879   2HB   GLN 115          1HB       GLN 115 126.796  10.719  10.715
  880   1HG   GLN 115          2HG       GLN 115 127.086  11.480  12.869
  881   2HG   GLN 115          1HG       GLN 115 126.951   9.866  13.570
  882   1HE2  GLN 115          1HE2      GLN 115 128.882   8.405  13.287
  883   2HE2  GLN 115          2HE2      GLN 115 130.422   9.098  13.120
  884    H    GLY 116           H        GLY 116 123.133  10.302  11.978
  885   1HA   GLY 116          2HA       GLY 116 122.647  11.960   9.874
  886   2HA   GLY 116          1HA       GLY 116 122.428  10.380   9.126
  887    H    HIS 117           H        HIS 117 121.089   8.907  10.956
  888    HA   HIS 117           HA       HIS 117 118.730  10.553  11.787
  889   1HB   HIS 117          2HB       HIS 117 118.170   7.916  10.562
  890   2HB   HIS 117          1HB       HIS 117 117.335   9.452  10.346
  891    HD1  HIS 117           HD1      HIS 117 118.460  11.177   8.650
  892    HD2  HIS 117           HD2      HIS 117 120.094   7.342   8.604
  893    HE1  HIS 117           HE1      HIS 117 119.874  11.025   6.553
  894    H    ARG 118           H        ARG 118 119.864  10.069  13.930
  895    HA   ARG 118           HA       ARG 118 120.114   7.429  14.993
  896   1HB   ARG 118          2HB       ARG 118 121.098   9.505  15.929
  897   2HB   ARG 118          1HB       ARG 118 119.483  10.074  16.349
  898   1HG   ARG 118          2HG       ARG 118 119.185   8.065  17.795
  899   2HG   ARG 118          1HG       ARG 118 120.845   7.590  17.431
  900   1HD   ARG 118          2HD       ARG 118 120.712   8.825  19.591
  901   2HD   ARG 118          1HD       ARG 118 121.660   9.733  18.396
  902    HE   ARG 118           HE       ARG 118 118.751  10.279  18.871
  903   1HH1  ARG 118          1HH2      ARG 118 121.398  11.237  17.079
  904   2HH1  ARG 118          2HH2      ARG 118 121.310  12.915  17.498
  905   1HH2  ARG 118          2HH1      ARG 118 118.887  12.453  19.936
  906   2HH2  ARG 118          1HH1      ARG 118 119.890  13.604  19.116
  907    H    ASP 119           H        ASP 119 117.330   9.465  14.457
  908    HA   ASP 119           HA       ASP 119 115.549   8.190  16.358
  909   1HB   ASP 119          2HB       ASP 119 113.835   9.432  15.029
  910   2HB   ASP 119          1HB       ASP 119 115.201  10.452  15.476
  911    H    ILE 120           H        ILE 120 116.157   7.760  12.859
  912    HA   ILE 120           HA       ILE 120 114.110   5.826  12.382
  913    HB   ILE 120           HB       ILE 120 115.777   7.222  10.858
  914   1HG1  ILE 120          2HG1      ILE 120 115.372   4.657   9.532
  915   2HG1  ILE 120          1HG1      ILE 120 113.947   5.146  10.447
  916   1HG2  ILE 120          1HG2      ILE 120 117.130   4.536  10.706
  917   2HG2  ILE 120          2HG2      ILE 120 117.716   5.773  11.815
  918   3HG2  ILE 120          3HG2      ILE 120 117.684   6.090  10.082
  919   1HD1  ILE 120          1HD1      ILE 120 113.425   6.566   8.782
  920   2HD1  ILE 120          2HD1      ILE 120 114.936   6.205   7.951
  921   3HD1  ILE 120          3HD1      ILE 120 114.882   7.484   9.161
  922    H    ALA 121           H        ALA 121 117.353   5.541  13.737
  923    HA   ALA 121           HA       ALA 121 117.631   2.689  13.536
  924   1HB   ALA 121          1HB       ALA 121 118.760   4.127  15.879
  925   2HB   ALA 121          2HB       ALA 121 119.174   4.797  14.301
  926   3HB   ALA 121          3HB       ALA 121 119.576   3.122  14.680
  927    H    ARG 122           H        ARG 122 116.573   4.750  16.277
  928    HA   ARG 122           HA       ARG 122 115.939   2.844  18.196
  929   1HB   ARG 122          2HB       ARG 122 114.416   5.320  17.330
  930   2HB   ARG 122          1HB       ARG 122 114.172   4.497  18.872
  931   1HG   ARG 122          2HG       ARG 122 116.853   4.772  18.949
  932   2HG   ARG 122          1HG       ARG 122 116.452   6.177  17.960
  933   1HD   ARG 122          2HD       ARG 122 114.733   5.771  20.351
  934   2HD   ARG 122          1HD       ARG 122 116.412   6.251  20.671
  935    HE   ARG 122           HE       ARG 122 114.833   7.746  18.629
  936   1HH1  ARG 122          2HH1      ARG 122 115.162   7.848  21.918
  937   2HH1  ARG 122          1HH1      ARG 122 115.878   9.422  21.999
  938   1HH2  ARG 122          1HH2      ARG 122 116.368   9.664  18.576
  939   2HH2  ARG 122          2HH2      ARG 122 116.561  10.451  20.106
  940    H    TYR 123           H        TYR 123 113.824   3.883  15.502
  941    HA   TYR 123           HA       TYR 123 111.759   1.918  16.185
  942   1HB   TYR 123          2HB       TYR 123 111.273   4.139  15.241
  943   2HB   TYR 123          1HB       TYR 123 112.203   3.737  13.797
  944    HD1  TYR 123           HD1      TYR 123 111.200   2.594  11.994
  945    HD2  TYR 123           HD2      TYR 123 109.250   2.659  15.820
  946    HE1  TYR 123           HE1      TYR 123 109.194   1.539  10.988
  947    HE2  TYR 123           HE2      TYR 123 107.242   1.604  14.814
  948    HH   TYR 123           HH       TYR 123 106.336   1.608  12.089
  949    H    LEU 124           H        LEU 124 113.843   2.375  13.280
  950    HA   LEU 124           HA       LEU 124 113.145  -0.087  12.061
  951   1HB   LEU 124          2HB       LEU 124 114.621   0.612  10.459
  952   2HB   LEU 124          1HB       LEU 124 114.550   2.114  11.370
  953    HG   LEU 124           HG       LEU 124 116.541   1.117  12.728
  954   1HD1  LEU 124          1HD1      LEU 124 117.810  -0.275  10.722
  955   2HD1  LEU 124          2HD1      LEU 124 116.150  -0.849  10.563
  956   3HD1  LEU 124          3HD1      LEU 124 117.000  -1.022  12.098
  957   1HD2  LEU 124          1HD2      LEU 124 117.839   1.625  10.266
  958   2HD2  LEU 124          2HD2      LEU 124 117.522   2.778  11.560
  959   3HD2  LEU 124          3HD2      LEU 124 116.362   2.588  10.246
  960    H    HIS 125           H        HIS 125 115.790   0.603  14.397
  961    HA   HIS 125           HA       HIS 125 116.939  -2.035  14.190
  962   1HB   HIS 125          2HB       HIS 125 118.443  -1.197  15.698
  963   2HB   HIS 125          1HB       HIS 125 117.680   0.333  15.300
  964    HD1  HIS 125           HD1      HIS 125 117.148   1.624  17.350
  965    HD2  HIS 125           HD2      HIS 125 116.784  -2.471  18.024
  966    HE1  HIS 125           HE1      HIS 125 116.457   1.358  19.770
  967    H    ALA 126           H        ALA 126 114.458  -0.613  16.312
  968    HA   ALA 126           HA       ALA 126 114.085  -2.751  18.125
  969   1HB   ALA 126          1HB       ALA 126 112.785  -0.930  18.654
  970   2HB   ALA 126          2HB       ALA 126 111.565  -1.806  17.729
  971   3HB   ALA 126          3HB       ALA 126 112.498  -0.521  16.962
  972    H    ALA 127           H        ALA 127 113.184  -2.439  14.747
  973    HA   ALA 127           HA       ALA 127 111.496  -4.872  14.801
  974   1HB   ALA 127          1HB       ALA 127 111.736  -4.121  12.194
  975   2HB   ALA 127          2HB       ALA 127 112.117  -2.599  12.998
  976   3HB   ALA 127          3HB       ALA 127 110.575  -3.398  13.308
  977    H    THR 128           H        THR 128 114.804  -4.013  14.216
  978    HA   THR 128           HA       THR 128 115.313  -6.477  12.621
  979    HB   THR 128           HB       THR 128 117.463  -5.455  12.192
  980    HG1  THR 128           HG1      THR 128 118.308  -4.364  13.743
  981   1HG2  THR 128          1HG2      THR 128 114.999  -4.055  11.727
  982   2HG2  THR 128          2HG2      THR 128 116.454  -4.083  10.732
  983   3HG2  THR 128          3HG2      THR 128 116.284  -2.880  12.007
  984    H    GLY 129           H        GLY 129 114.619  -6.387  15.582
  985   1HA   GLY 129          2HA       GLY 129 117.020  -7.010  17.063
  986   2HA   GLY 129          1HA       GLY 129 115.371  -7.336  17.597
  987    H    ASP 130           HN       ASP 130 117.659  -8.518  15.114
  988    HA   ASP 130           HA       ASP 130 116.546 -11.021  14.594
  989   1HB   ASP 130          2HB       ASP 130 119.462 -10.231  14.872
  990   2HB   ASP 130          1HB       ASP 130 118.871 -11.633  13.981
  Start of MODEL   10
    1   1H    GLY  -5          1H        GLY  -5  95.401  -1.192 -34.036
    2   2H    GLY  -5          2H        GLY  -5  93.837  -1.850 -34.127
    3   3H    GLY  -5          3H        GLY  -5  95.090  -2.498 -35.073
    4   1HA   GLY  -5          2HA       GLY  -5  94.708  -2.693 -32.144
    5   2HA   GLY  -5          1HA       GLY  -5  94.837  -4.005 -33.316
    6    H    SER  -4           H        SER  -4  96.538  -2.403 -30.984
    7    HA   SER  -4           HA       SER  -4  98.838  -2.150 -30.488
    8   1HB   SER  -4          2HB       SER  -4 100.008  -4.250 -30.842
    9   2HB   SER  -4          1HB       SER  -4  98.324  -4.608 -30.467
   10    HG   SER  -4           HG       SER  -4  98.084  -5.394 -32.404
   11    HA   PRO  -3           HA       PRO  -3  99.791  -0.499 -34.745
   12   1HB   PRO  -3          2HB       PRO  -3 100.300   2.058 -33.895
   13   2HB   PRO  -3          1HB       PRO  -3  98.678   1.493 -34.346
   14   1HG   PRO  -3          2HG       PRO  -3  99.896   1.777 -31.634
   15   2HG   PRO  -3          1HG       PRO  -3  98.267   2.205 -32.187
   16   1HD   PRO  -3          2HD       PRO  -3  98.762  -0.052 -30.800
   17   2HD   PRO  -3          1HD       PRO  -3  97.506   0.032 -32.057
   18    H    GLY  -2           H        GLY  -2 101.329  -0.599 -31.635
   19   1HA   GLY  -2          2HA       GLY  -2 103.958   0.164 -32.777
   20   2HA   GLY  -2          1HA       GLY  -2 103.613  -0.079 -31.064
   21    H    ILE  -1           H        ILE  -1 102.243  -2.620 -31.460
   22    HA   ILE  -1           HA       ILE  -1 102.855  -4.868 -31.205
   23    HB   ILE  -1           HB       ILE  -1 102.422  -4.517 -33.646
   24   1HG1  ILE  -1          2HG1      ILE  -1 104.600  -6.565 -33.355
   25   2HG1  ILE  -1          1HG1      ILE  -1 103.115  -6.730 -32.417
   26   1HG2  ILE  -1          1HG2      ILE  -1 104.359  -4.565 -35.186
   27   2HG2  ILE  -1          2HG2      ILE  -1 105.448  -4.405 -33.813
   28   3HG2  ILE  -1          3HG2      ILE  -1 104.338  -3.096 -34.218
   29   1HD1  ILE  -1          1HD1      ILE  -1 102.935  -6.183 -35.364
   30   2HD1  ILE  -1          2HD1      ILE  -1 101.788  -7.014 -34.312
   31   3HD1  ILE  -1          3HD1      ILE  -1 103.276  -7.822 -34.806
   32    H    HIS   0           H        HIS   0 105.781  -3.148 -32.450
   33    HA   HIS   0           HA       HIS   0 107.638  -5.030 -31.304
   34   1HB   HIS   0          2HB       HIS   0 108.042  -3.437 -33.192
   35   2HB   HIS   0          1HB       HIS   0 107.964  -2.104 -32.041
   36    HD1  HIS   0           HD1      HIS   0 110.343  -1.346 -31.786
   37    HD2  HIS   0           HD2      HIS   0 110.011  -5.497 -31.636
   38    HE1  HIS   0           HE1      HIS   0 112.645  -2.227 -31.214
   39    H    MET   1           H        MET   1 106.084  -2.079 -30.111
   40    HA   MET   1           HA       MET   1 107.764  -1.687 -27.805
   41   1HB   MET   1          2HB       MET   1 105.422  -0.571 -29.041
   42   2HB   MET   1          1HB       MET   1 105.092  -0.796 -27.322
   43   1HG   MET   1          2HG       MET   1 106.111   1.285 -27.273
   44   2HG   MET   1          1HG       MET   1 107.519   0.244 -27.060
   45   1HE   MET   1          1HE       MET   1 109.213   1.142 -27.648
   46   2HE   MET   1          2HE       MET   1 109.672   2.053 -29.086
   47   3HE   MET   1          3HE       MET   1 109.663   0.292 -29.133
   48    H    LEU   2           H        LEU   2 107.805  -2.806 -25.913
   49    HA   LEU   2           HA       LEU   2 105.665  -4.839 -25.424
   50   1HB   LEU   2          2HB       LEU   2 108.572  -4.704 -25.226
   51   2HB   LEU   2          1HB       LEU   2 107.851  -5.257 -23.712
   52    HG   LEU   2           HG       LEU   2 106.398  -6.761 -25.353
   53   1HD1  LEU   2          1HD1      LEU   2 108.470  -7.441 -27.054
   54   2HD1  LEU   2          2HD1      LEU   2 108.555  -5.679 -27.031
   55   3HD1  LEU   2          3HD1      LEU   2 107.059  -6.483 -27.505
   56   1HD2  LEU   2          1HD2      LEU   2 108.123  -7.395 -23.546
   57   2HD2  LEU   2          2HD2      LEU   2 109.282  -7.525 -24.870
   58   3HD2  LEU   2          3HD2      LEU   2 107.858  -8.565 -24.839
   59    H    GLY   3           H        GLY   3 105.405  -1.956 -24.745
   60   1HA   GLY   3          2HA       GLY   3 104.128  -1.136 -22.838
   61   2HA   GLY   3          1HA       GLY   3 104.982  -2.293 -21.816
   62    H    GLY   4           H        GLY   4 106.625  -0.294 -24.199
   63   1HA   GLY   4          2HA       GLY   4 108.252   0.878 -22.026
   64   2HA   GLY   4          1HA       GLY   4 108.586   1.006 -23.755
   65    H    SER   5           H        SER   5 106.247   2.116 -21.290
   66    HA   SER   5           HA       SER   5 106.137   4.733 -22.743
   67   1HB   SER   5          2HB       SER   5 104.032   2.748 -22.190
   68   2HB   SER   5          1HB       SER   5 103.600   4.391 -21.726
   69    HG   SER   5           HG       SER   5 103.856   3.286 -24.190
   70    H    SER   6           H        SER   6 104.884   3.171 -19.752
   71    HA   SER   6           HA       SER   6 106.273   5.205 -18.107
   72   1HB   SER   6          2HB       SER   6 103.372   5.141 -18.753
   73   2HB   SER   6          1HB       SER   6 103.783   5.454 -17.070
   74    HG   SER   6           HG       SER   6 104.509   7.346 -17.621
   75    H    ASP   7           H        ASP   7 106.158   2.179 -18.431
   76    HA   ASP   7           HA       ASP   7 104.804   0.985 -16.210
   77   1HB   ASP   7          2HB       ASP   7 106.993   0.336 -18.116
   78   2HB   ASP   7          1HB       ASP   7 106.947  -0.624 -16.637
   79    H    ALA   8           H        ALA   8 108.261   1.903 -16.536
   80    HA   ALA   8           HA       ALA   8 108.569   1.743 -13.583
   81   1HB   ALA   8          1HB       ALA   8 111.000   2.432 -14.627
   82   2HB   ALA   8          2HB       ALA   8 110.259   1.629 -16.011
   83   3HB   ALA   8          3HB       ALA   8 110.433   0.769 -14.481
   84    H    GLY   9           H        GLY   9 107.194   3.999 -15.294
   85   1HA   GLY   9          2HA       GLY   9 108.819   6.351 -14.990
   86   2HA   GLY   9          1HA       GLY   9 107.070   6.341 -15.231
   87    H    LEU  10           H        LEU  10 106.429   4.754 -12.920
   88    HA   LEU  10           HA       LEU  10 106.161   6.763 -10.920
   89   1HB   LEU  10          2HB       LEU  10 105.445   4.831  -9.527
   90   2HB   LEU  10          1HB       LEU  10 104.745   4.760 -11.145
   91    HG   LEU  10           HG       LEU  10 106.981   3.370 -11.632
   92   1HD1  LEU  10          1HD1      LEU  10 106.847   3.594  -8.735
   93   2HD1  LEU  10          2HD1      LEU  10 108.129   2.924  -9.743
   94   3HD1  LEU  10          3HD1      LEU  10 106.775   1.907  -9.248
   95   1HD2  LEU  10          1HD2      LEU  10 104.281   2.610 -10.616
   96   2HD2  LEU  10          2HD2      LEU  10 105.494   1.332 -10.702
   97   3HD2  LEU  10          3HD2      LEU  10 105.050   2.227 -12.156
   98    H    ALA  11           H        ALA  11 108.733   4.460 -11.563
   99    HA   ALA  11           HA       ALA  11 110.034   4.787  -8.957
  100   1HB   ALA  11          1HB       ALA  11 110.171   2.728 -10.312
  101   2HB   ALA  11          2HB       ALA  11 111.779   3.413 -10.072
  102   3HB   ALA  11          3HB       ALA  11 110.948   3.630 -11.613
  103    H    THR  12           H        THR  12 110.697   5.884 -12.305
  104    HA   THR  12           HA       THR  12 113.044   7.409 -11.710
  105    HB   THR  12           HB       THR  12 112.584   8.416 -13.901
  106    HG1  THR  12           HG1      THR  12 110.041   7.189 -13.666
  107   1HG2  THR  12          1HG2      THR  12 113.093   5.835 -13.519
  108   2HG2  THR  12          2HG2      THR  12 112.768   6.468 -15.132
  109   3HG2  THR  12          3HG2      THR  12 111.489   5.655 -14.231
  110    H    ALA  13           H        ALA  13 109.635   8.467 -12.063
  111    HA   ALA  13           HA       ALA  13 110.024  11.202 -11.375
  112   1HB   ALA  13          1HB       ALA  13 107.963  10.577 -12.340
  113   2HB   ALA  13          2HB       ALA  13 107.530  10.876 -10.657
  114   3HB   ALA  13          3HB       ALA  13 107.753   9.223 -11.231
  115    H    ALA  14           H        ALA  14 109.579   8.320  -9.371
  116    HA   ALA  14           HA       ALA  14 109.243   9.743  -6.862
  117   1HB   ALA  14          1HB       ALA  14 108.405   7.532  -6.998
  118   2HB   ALA  14          2HB       ALA  14 109.869   7.356  -6.031
  119   3HB   ALA  14          3HB       ALA  14 109.885   6.926  -7.742
  120    H    ALA  15           H        ALA  15 112.005   8.363  -8.620
  121    HA   ALA  15           HA       ALA  15 113.983   8.581  -6.577
  122   1HB   ALA  15          1HB       ALA  15 114.285   8.959  -9.572
  123   2HB   ALA  15          2HB       ALA  15 114.124   7.387  -8.788
  124   3HB   ALA  15          3HB       ALA  15 115.527   8.401  -8.450
  125    H    ARG  16           H        ARG  16 112.526  10.986  -8.674
  126    HA   ARG  16           HA       ARG  16 114.543  13.034  -7.936
  127   1HB   ARG  16          2HB       ARG  16 112.069  13.058  -9.699
  128   2HB   ARG  16          1HB       ARG  16 113.228  14.381  -9.568
  129   1HG   ARG  16          2HG       ARG  16 114.897  13.218 -10.685
  130   2HG   ARG  16          1HG       ARG  16 114.251  11.643 -10.224
  131   1HD   ARG  16          2HD       ARG  16 113.221  11.525 -12.237
  132   2HD   ARG  16          1HD       ARG  16 112.243  12.936 -11.787
  133    HE   ARG  16           HE       ARG  16 114.887  13.777 -12.557
  134   1HH1  ARG  16          1HH2      ARG  16 113.957  11.805 -14.718
  135   2HH1  ARG  16          2HH2      ARG  16 113.227  12.890 -15.853
  136   1HH2  ARG  16          2HH1      ARG  16 113.054  15.533 -13.614
  137   2HH2  ARG  16          1HH1      ARG  16 112.716  15.003 -15.227
  138    H    GLY  17           H        GLY  17 111.421  11.917  -6.930
  139   1HA   GLY  17          2HA       GLY  17 110.415  12.638  -4.851
  140   2HA   GLY  17          1HA       GLY  17 111.261  14.178  -5.010
  141    H    GLN  18           H        GLN  18 109.055  12.328  -7.144
  142    HA   GLN  18           HA       GLN  18 107.397  14.822  -7.377
  143   1HB   GLN  18          2HB       GLN  18 108.369  12.798  -9.398
  144   2HB   GLN  18          1HB       GLN  18 106.986  13.840  -9.740
  145   1HG   GLN  18          2HG       GLN  18 109.307  15.275  -8.635
  146   2HG   GLN  18          1HG       GLN  18 109.615  14.521 -10.199
  147   1HE2  GLN  18          1HE2      GLN  18 109.623  16.626 -11.293
  148   2HE2  GLN  18          2HE2      GLN  18 108.180  17.486 -11.546
  149    H    VAL  19           H        VAL  19 106.104  13.770  -5.576
  150    HA   VAL  19           HA       VAL  19 104.804  11.238  -5.858
  151    HB   VAL  19           HB       VAL  19 103.979  13.804  -4.450
  152   1HG1  VAL  19          1HG1      VAL  19 102.388  12.582  -3.247
  153   2HG1  VAL  19          2HG1      VAL  19 103.152  11.036  -3.614
  154   3HG1  VAL  19          3HG1      VAL  19 102.231  11.882  -4.857
  155   1HG2  VAL  19          1HG2      VAL  19 106.244  12.561  -3.962
  156   2HG2  VAL  19          2HG2      VAL  19 105.208  11.384  -3.155
  157   3HG2  VAL  19          3HG2      VAL  19 105.226  13.064  -2.613
  158    H    GLU  20           H        GLU  20 103.883  14.511  -6.917
  159    HA   GLU  20           HA       GLU  20 101.234  13.976  -7.793
  160   1HB   GLU  20          2HB       GLU  20 103.374  15.965  -8.206
  161   2HB   GLU  20          1HB       GLU  20 102.220  15.866  -9.536
  162   1HG   GLU  20          2HG       GLU  20 100.379  15.993  -7.772
  163   2HG   GLU  20          1HG       GLU  20 101.642  16.429  -6.621
  164    H    THR  21           H        THR  21 104.329  13.719  -9.572
  165    HA   THR  21           HA       THR  21 103.203  12.913 -12.084
  166    HB   THR  21           HB       THR  21 105.888  12.144 -10.904
  167    HG1  THR  21           HG1      THR  21 105.012  14.577 -12.061
  168   1HG2  THR  21          1HG2      THR  21 106.583  11.817 -13.070
  169   2HG2  THR  21          2HG2      THR  21 105.486  13.038 -13.716
  170   3HG2  THR  21          3HG2      THR  21 104.873  11.441 -13.285
  171    H    VAL  22           H        VAL  22 104.406  11.036  -9.298
  172    HA   VAL  22           HA       VAL  22 103.891   8.447 -10.520
  173    HB   VAL  22           HB       VAL  22 104.300   9.312  -7.636
  174   1HG1  VAL  22          1HG1      VAL  22 103.413   6.884  -8.447
  175   2HG1  VAL  22          2HG1      VAL  22 104.476   7.102  -7.057
  176   3HG1  VAL  22          3HG1      VAL  22 105.151   6.640  -8.620
  177   1HG2  VAL  22          1HG2      VAL  22 106.336   8.213  -9.591
  178   2HG2  VAL  22          2HG2      VAL  22 106.640   8.912  -8.001
  179   3HG2  VAL  22          3HG2      VAL  22 106.100   9.940  -9.328
  180    H    ARG  23           H        ARG  23 102.011  10.726  -8.626
  181    HA   ARG  23           HA       ARG  23  99.990   8.957  -7.632
  182   1HB   ARG  23          2HB       ARG  23 100.266  11.886  -8.240
  183   2HB   ARG  23          1HB       ARG  23  98.686  11.251  -7.781
  184   1HG   ARG  23          2HG       ARG  23 101.143  10.621  -6.149
  185   2HG   ARG  23          1HG       ARG  23 100.234  12.109  -5.888
  186   1HD   ARG  23          2HD       ARG  23  98.223  10.214  -5.966
  187   2HD   ARG  23          1HD       ARG  23  99.536   9.354  -5.136
  188    HE   ARG  23           HE       ARG  23  98.698  12.102  -4.289
  189   1HH1  ARG  23          2HH1      ARG  23 101.066  10.577  -3.088
  190   2HH1  ARG  23          1HH1      ARG  23 100.356   9.963  -1.633
  191   1HH2  ARG  23          1HH2      ARG  23  97.097  10.551  -2.662
  192   2HH2  ARG  23          2HH2      ARG  23  98.108   9.949  -1.391
  193    H    GLN  24           H        GLN  24  99.998  11.033 -10.560
  194    HA   GLN  24           HA       GLN  24  97.485   9.967 -11.551
  195   1HB   GLN  24          2HB       GLN  24  99.191  12.125 -12.030
  196   2HB   GLN  24          1HB       GLN  24  99.283  11.177 -13.515
  197   1HG   GLN  24          2HG       GLN  24  96.631  11.080 -13.160
  198   2HG   GLN  24          1HG       GLN  24  96.949  12.593 -12.310
  199   1HE2  GLN  24          1HE2      GLN  24  95.511  12.441 -14.838
  200   2HE2  GLN  24          2HE2      GLN  24  96.442  13.257 -15.999
  201    H    LEU  25           H        LEU  25 100.815   8.954 -11.782
  202    HA   LEU  25           HA       LEU  25 100.599   7.436 -14.237
  203   1HB   LEU  25          2HB       LEU  25 102.565   8.245 -12.447
  204   2HB   LEU  25          1HB       LEU  25 102.519   6.496 -12.229
  205    HG   LEU  25           HG       LEU  25 102.765   7.899 -14.905
  206   1HD1  LEU  25          1HD1      LEU  25 104.928   6.212 -13.720
  207   2HD1  LEU  25          2HD1      LEU  25 104.730   7.850 -13.098
  208   3HD1  LEU  25          3HD1      LEU  25 105.053   7.591 -14.812
  209   1HD2  LEU  25          1HD2      LEU  25 103.609   5.160 -14.903
  210   2HD2  LEU  25          2HD2      LEU  25 102.272   5.886 -15.794
  211   3HD2  LEU  25          3HD2      LEU  25 102.004   5.238 -14.176
  212    H    LEU  26           H        LEU  26 100.923   6.227 -10.872
  213    HA   LEU  26           HA       LEU  26 100.187   3.544 -11.396
  214   1HB   LEU  26          2HB       LEU  26 100.312   5.400  -9.075
  215   2HB   LEU  26          1HB       LEU  26  99.378   3.921  -8.842
  216    HG   LEU  26           HG       LEU  26 102.222   4.002  -9.889
  217   1HD1  LEU  26          1HD1      LEU  26 102.580   2.864  -7.563
  218   2HD1  LEU  26          2HD1      LEU  26 101.064   3.654  -7.133
  219   3HD1  LEU  26          3HD1      LEU  26 102.450   4.621  -7.639
  220   1HD2  LEU  26          1HD2      LEU  26 101.713   1.489  -8.886
  221   2HD2  LEU  26          2HD2      LEU  26 101.603   1.927 -10.590
  222   3HD2  LEU  26          3HD2      LEU  26 100.153   1.920  -9.587
  223    H    GLU  27           H        GLU  27  98.118   6.269 -10.339
  224    HA   GLU  27           HA       GLU  27  95.666   4.833 -10.167
  225   1HB   GLU  27          2HB       GLU  27  96.592   7.646 -10.470
  226   2HB   GLU  27          1HB       GLU  27  94.898   7.335 -10.851
  227   1HG   GLU  27          2HG       GLU  27  94.360   7.004  -8.677
  228   2HG   GLU  27          1HG       GLU  27  95.776   5.992  -8.397
  229    H    ALA  28           H        ALA  28  97.293   6.347 -12.934
  230    HA   ALA  28           HA       ALA  28  95.117   6.114 -14.805
  231   1HB   ALA  28          1HB       ALA  28  96.780   7.553 -15.515
  232   2HB   ALA  28          2HB       ALA  28  97.311   6.097 -16.358
  233   3HB   ALA  28          3HB       ALA  28  98.069   6.561 -14.834
  234    H    GLY  29           H        GLY  29  98.141   4.192 -14.760
  235   1HA   GLY  29          2HA       GLY  29  96.948   1.647 -14.715
  236   2HA   GLY  29          1HA       GLY  29  97.139   2.119 -16.400
  237    H    ALA  30           H        ALA  30  99.136   2.398 -13.441
  238    HA   ALA  30           HA       ALA  30 101.486   1.515 -15.075
  239   1HB   ALA  30          1HB       ALA  30 102.023   2.612 -12.426
  240   2HB   ALA  30          2HB       ALA  30 101.010   3.696 -13.380
  241   3HB   ALA  30          3HB       ALA  30 102.580   3.182 -13.999
  242    H    ASP  31           H        ASP  31 102.481  -0.403 -14.529
  243    HA   ASP  31           HA       ASP  31 101.268  -2.212 -12.633
  244   1HB   ASP  31          2HB       ASP  31 102.883  -2.395 -14.816
  245   2HB   ASP  31          1HB       ASP  31 104.066  -2.635 -13.530
  246    HA   PRO  32           HA       PRO  32 103.442  -0.562  -9.098
  247   1HB   PRO  32          2HB       PRO  32 102.575  -2.413  -7.280
  248   2HB   PRO  32          1HB       PRO  32 101.564  -1.070  -7.847
  249   1HG   PRO  32          2HG       PRO  32 101.545  -3.929  -8.666
  250   2HG   PRO  32          1HG       PRO  32 100.193  -2.809  -8.441
  251   1HD   PRO  32          2HD       PRO  32 101.209  -3.490 -10.885
  252   2HD   PRO  32          1HD       PRO  32 100.385  -1.952 -10.551
  253    H    ASN  33           H        ASN  33 103.768  -3.733 -10.470
  254    HA   ASN  33           HA       ASN  33 106.208  -4.277  -8.822
  255   1HB   ASN  33          2HB       ASN  33 104.461  -6.032 -10.581
  256   2HB   ASN  33          1HB       ASN  33 105.855  -6.600  -9.660
  257   1HD2  ASN  33          1HD2      ASN  33 105.653  -5.621  -7.185
  258   2HD2  ASN  33          2HD2      ASN  33 104.149  -5.945  -6.468
  259    H    ALA  34           H        ALA  34 106.019  -2.395 -11.177
  260    HA   ALA  34           HA       ALA  34 107.393  -3.741 -13.391
  261   1HB   ALA  34          1HB       ALA  34 106.384  -1.017 -12.678
  262   2HB   ALA  34          2HB       ALA  34 106.077  -1.981 -14.123
  263   3HB   ALA  34          3HB       ALA  34 107.609  -1.128 -13.942
  264    H    LEU  35           H        LEU  35 109.474  -4.409 -12.892
  265    HA   LEU  35           HA       LEU  35 111.242  -3.115 -11.037
  266   1HB   LEU  35          2HB       LEU  35 111.386  -5.184 -13.193
  267   2HB   LEU  35          1HB       LEU  35 112.905  -4.528 -12.584
  268    HG   LEU  35           HG       LEU  35 110.723  -5.633 -10.798
  269   1HD1  LEU  35          1HD1      LEU  35 112.218  -7.143 -12.522
  270   2HD1  LEU  35          2HD1      LEU  35 111.610  -7.724 -10.972
  271   3HD1  LEU  35          3HD1      LEU  35 113.261  -7.118 -11.100
  272   1HD2  LEU  35          1HD2      LEU  35 112.973  -5.799  -9.361
  273   2HD2  LEU  35          2HD2      LEU  35 112.019  -4.317  -9.405
  274   3HD2  LEU  35          3HD2      LEU  35 113.453  -4.472 -10.420
  275    H    ASN  36           H        ASN  36 113.347  -2.084 -11.678
  276    HA   ASN  36           HA       ASN  36 112.950  -0.244 -14.006
  277   1HB   ASN  36          2HB       ASN  36 113.964  -0.056 -11.253
  278   2HB   ASN  36          1HB       ASN  36 115.017   0.725 -12.432
  279   1HD2  ASN  36          1HD2      ASN  36 114.468   2.923 -12.057
  280   2HD2  ASN  36          2HD2      ASN  36 112.899   3.542 -12.253
  281    H    ARG  37           H        ARG  37 115.487   0.592 -14.483
  282    HA   ARG  37           HA       ARG  37 116.719  -1.731 -15.782
  283   1HB   ARG  37          2HB       ARG  37 116.810   1.208 -15.850
  284   2HB   ARG  37          1HB       ARG  37 118.386   0.456 -16.103
  285   1HG   ARG  37          2HG       ARG  37 117.428  -0.960 -17.885
  286   2HG   ARG  37          1HG       ARG  37 115.854  -0.202 -17.638
  287   1HD   ARG  37          2HD       ARG  37 116.546   1.841 -18.549
  288   2HD   ARG  37          1HD       ARG  37 118.259   1.524 -18.208
  289    HE   ARG  37           HE       ARG  37 118.178  -0.220 -20.002
  290   1HH1  ARG  37          2HH1      ARG  37 117.140   2.737 -20.735
  291   2HH1  ARG  37          1HH1      ARG  37 115.993   2.298 -21.956
  292   1HH2  ARG  37          1HH2      ARG  37 116.050  -1.079 -21.168
  293   2HH2  ARG  37          2HH2      ARG  37 115.375   0.136 -22.202
  294    H    PHE  38           H        PHE  38 117.135   0.004 -12.805
  295    HA   PHE  38           HA       PHE  38 119.931  -0.894 -12.434
  296   1HB   PHE  38          2HB       PHE  38 117.976   0.634 -10.684
  297   2HB   PHE  38          1HB       PHE  38 119.693   0.422 -10.340
  298    HD1  PHE  38           HD1      PHE  38 117.468   2.752 -11.491
  299    HD2  PHE  38           HD2      PHE  38 121.154   0.893 -12.678
  300    HE1  PHE  38           HE1      PHE  38 117.996   4.710 -12.920
  301    HE2  PHE  38           HE2      PHE  38 121.681   2.851 -14.106
  302    HZ   PHE  38           HZ       PHE  38 120.102   4.759 -14.227
  303    H    GLY  39           H        GLY  39 117.349  -2.697 -12.458
  304   1HA   GLY  39          2HA       GLY  39 116.556  -4.558 -11.282
  305   2HA   GLY  39          1HA       GLY  39 118.223  -4.715 -10.736
  306    H    ARG  40           H        ARG  40 116.060  -1.999 -10.050
  307    HA   ARG  40           HA       ARG  40 116.229  -2.721  -7.142
  308   1HB   ARG  40          2HB       ARG  40 116.868  -0.354  -8.696
  309   2HB   ARG  40          1HB       ARG  40 115.669   0.026  -7.460
  310   1HG   ARG  40          2HG       ARG  40 117.201  -1.288  -5.844
  311   2HG   ARG  40          1HG       ARG  40 118.433  -1.123  -7.095
  312   1HD   ARG  40          2HD       ARG  40 117.229   1.445  -6.774
  313   2HD   ARG  40          1HD       ARG  40 117.619   0.833  -5.155
  314    HE   ARG  40           HE       ARG  40 119.799   0.261  -6.929
  315   1HH1  ARG  40          1HH2      ARG  40 119.456   1.773  -4.149
  316   2HH1  ARG  40          2HH2      ARG  40 120.311   3.230  -4.535
  317   1HH2  ARG  40          2HH1      ARG  40 120.366   2.607  -7.947
  318   2HH2  ARG  40          1HH1      ARG  40 120.827   3.701  -6.686
  319    H    ARG  41           H        ARG  41 114.347  -1.956  -5.853
  320    HA   ARG  41           HA       ARG  41 111.809  -2.596  -7.152
  321   1HB   ARG  41          2HB       ARG  41 112.453  -1.493  -4.392
  322   2HB   ARG  41          1HB       ARG  41 110.964  -2.308  -4.859
  323   1HG   ARG  41          2HG       ARG  41 113.729  -3.554  -4.879
  324   2HG   ARG  41          1HG       ARG  41 112.477  -3.854  -3.675
  325   1HD   ARG  41          2HD       ARG  41 111.958  -5.617  -5.058
  326   2HD   ARG  41          1HD       ARG  41 111.099  -4.371  -5.986
  327    HE   ARG  41           HE       ARG  41 113.044  -4.187  -7.452
  328   1HH1  ARG  41          1HH2      ARG  41 112.471  -7.158  -7.405
  329   2HH1  ARG  41          2HH2      ARG  41 114.053  -7.812  -7.141
  330   1HH2  ARG  41          2HH1      ARG  41 115.412  -4.801  -6.090
  331   2HH2  ARG  41          1HH1      ARG  41 115.716  -6.478  -6.396
  332    HA   PRO  42           HA       PRO  42 110.384   1.461  -8.079
  333   1HB   PRO  42          2HB       PRO  42 107.878   1.601  -6.968
  334   2HB   PRO  42          1HB       PRO  42 108.244   0.660  -8.429
  335   1HG   PRO  42          2HG       PRO  42 107.974  -0.265  -5.606
  336   2HG   PRO  42          1HG       PRO  42 107.382  -1.013  -7.099
  337   1HD   PRO  42          2HD       PRO  42 109.602  -1.878  -5.841
  338   2HD   PRO  42          1HD       PRO  42 109.430  -1.941  -7.608
  339    H    ILE  43           H        ILE  43 110.712   0.499  -4.796
  340    HA   ILE  43           HA       ILE  43 110.483   3.331  -3.850
  341    HB   ILE  43           HB       ILE  43 110.476   0.684  -2.357
  342   1HG1  ILE  43          2HG1      ILE  43 108.201   2.598  -2.972
  343   2HG1  ILE  43          1HG1      ILE  43 108.486   1.079  -3.822
  344   1HG2  ILE  43          1HG2      ILE  43 110.382   1.859  -0.405
  345   2HG2  ILE  43          2HG2      ILE  43 109.391   3.135  -1.111
  346   3HG2  ILE  43          3HG2      ILE  43 111.137   3.139  -1.351
  347   1HD1  ILE  43          1HD1      ILE  43 108.416   0.883  -0.867
  348   2HD1  ILE  43          2HD1      ILE  43 107.722  -0.188  -2.084
  349   3HD1  ILE  43          3HD1      ILE  43 106.883   1.296  -1.634
  350    H    GLN  44           H        GLN  44 112.692   0.736  -4.474
  351    HA   GLN  44           HA       GLN  44 114.789   1.603  -2.634
  352   1HB   GLN  44          2HB       GLN  44 114.184  -0.565  -4.416
  353   2HB   GLN  44          1HB       GLN  44 115.781   0.059  -4.829
  354   1HG   GLN  44          2HG       GLN  44 116.335  -0.041  -2.350
  355   2HG   GLN  44          1HG       GLN  44 114.832  -0.938  -2.134
  356   1HE2  GLN  44          1HE2      GLN  44 117.547  -2.016  -1.700
  357   2HE2  GLN  44          2HE2      GLN  44 117.738  -3.298  -2.795
  358    H    VAL  45           H        VAL  45 113.578   2.912  -5.501
  359    HA   VAL  45           HA       VAL  45 116.222   4.176  -6.145
  360    HB   VAL  45           HB       VAL  45 115.311   2.618  -7.850
  361   1HG1  VAL  45          1HG1      VAL  45 113.129   2.606  -8.426
  362   2HG1  VAL  45          2HG1      VAL  45 113.136   4.342  -8.737
  363   3HG1  VAL  45          3HG1      VAL  45 112.853   3.740  -7.105
  364   1HG2  VAL  45          1HG2      VAL  45 114.841   4.975  -9.413
  365   2HG2  VAL  45          2HG2      VAL  45 116.300   3.988  -9.336
  366   3HG2  VAL  45          3HG2      VAL  45 116.093   5.341  -8.226
  367    H    MET  46           H        MET  46 113.119   4.776  -4.890
  368    HA   MET  46           HA       MET  46 112.600   7.365  -6.053
  369   1HB   MET  46          2HB       MET  46 110.937   7.512  -4.275
  370   2HB   MET  46          1HB       MET  46 110.943   5.874  -4.924
  371   1HG   MET  46          2HG       MET  46 111.589   4.987  -2.949
  372   2HG   MET  46          1HG       MET  46 112.837   6.208  -2.713
  373   1HE   MET  46          1HE       MET  46 110.875   6.021   0.479
  374   2HE   MET  46          2HE       MET  46 111.566   4.900  -0.690
  375   3HE   MET  46          3HE       MET  46 109.816   5.038  -0.541
  376    H    MET  47           H        MET  47 112.736   9.437  -4.820
  377    HA   MET  47           HA       MET  47 115.336  10.085  -3.948
  378   1HB   MET  47          2HB       MET  47 113.168  11.460  -4.607
  379   2HB   MET  47          1HB       MET  47 112.933  11.511  -2.860
  380   1HG   MET  47          2HG       MET  47 115.698  12.091  -3.627
  381   2HG   MET  47          1HG       MET  47 114.552  13.231  -4.332
  382   1HE   MET  47          1HE       MET  47 112.507  13.687  -3.144
  383   2HE   MET  47          2HE       MET  47 113.009  15.147  -2.295
  384   3HE   MET  47          3HE       MET  47 112.265  13.826  -1.397
  385    H    MET  48           H        MET  48 112.784   8.517  -2.179
  386    HA   MET  48           HA       MET  48 112.711   7.693   0.031
  387   1HB   MET  48          2HB       MET  48 115.390   7.633  -0.910
  388   2HB   MET  48          1HB       MET  48 115.460   8.214   0.754
  389   1HG   MET  48          2HG       MET  48 115.472   5.935   1.141
  390   2HG   MET  48          1HG       MET  48 113.732   6.227   1.146
  391   1HE   MET  48          1HE       MET  48 114.429   2.806  -0.267
  392   2HE   MET  48          2HE       MET  48 112.834   3.528  -0.079
  393   3HE   MET  48          3HE       MET  48 114.081   3.839   1.125
  394    H    GLY  49           H        GLY  49 112.660  10.730  -0.677
  395   1HA   GLY  49          2HA       GLY  49 113.055  11.673   2.135
  396   2HA   GLY  49          1HA       GLY  49 113.448  12.691   0.748
  397    H    SER  50           H        SER  50 110.670  10.603   0.585
  398    HA   SER  50           HA       SER  50 108.789  12.734   1.397
  399   1HB   SER  50          2HB       SER  50 109.591  13.142  -0.986
  400   2HB   SER  50          1HB       SER  50 108.813  11.623  -1.423
  401    HG   SER  50           HG       SER  50 107.369  13.306  -1.751
  402    H    ALA  51           H        ALA  51 107.599  11.413   2.760
  403    HA   ALA  51           HA       ALA  51 107.134   8.626   2.469
  404   1HB   ALA  51          1HB       ALA  51 105.025  10.310   3.706
  405   2HB   ALA  51          2HB       ALA  51 106.659  10.554   4.324
  406   3HB   ALA  51          3HB       ALA  51 105.922   8.953   4.389
  407    H    GLN  52           H        GLN  52 105.558  11.380   0.972
  408    HA   GLN  52           HA       GLN  52 103.070  10.245   0.219
  409   1HB   GLN  52          2HB       GLN  52 104.809  12.479  -0.502
  410   2HB   GLN  52          1HB       GLN  52 103.888  11.877  -1.873
  411   1HG   GLN  52          2HG       GLN  52 102.378  13.391  -0.983
  412   2HG   GLN  52          1HG       GLN  52 101.884  11.904  -0.176
  413   1HE2  GLN  52          1HE2      GLN  52 103.440  11.543   1.945
  414   2HE2  GLN  52          2HE2      GLN  52 103.542  12.912   2.940
  415    H    VAL  53           H        VAL  53 106.295   9.792  -1.119
  416    HA   VAL  53           HA       VAL  53 105.323   8.413  -3.528
  417    HB   VAL  53           HB       VAL  53 108.096   8.648  -2.313
  418   1HG1  VAL  53          1HG1      VAL  53 107.668   6.918  -4.135
  419   2HG1  VAL  53          2HG1      VAL  53 108.904   8.122  -4.504
  420   3HG1  VAL  53          3HG1      VAL  53 107.294   8.268  -5.206
  421   1HG2  VAL  53          1HG2      VAL  53 108.343  10.561  -3.908
  422   2HG2  VAL  53          2HG2      VAL  53 107.144  10.873  -2.652
  423   3HG2  VAL  53          3HG2      VAL  53 106.623  10.432  -4.279
  424    H    ALA  54           H        ALA  54 107.102   7.479  -0.561
  425    HA   ALA  54           HA       ALA  54 107.271   4.685  -1.117
  426   1HB   ALA  54          1HB       ALA  54 108.222   6.389   0.753
  427   2HB   ALA  54          2HB       ALA  54 108.215   4.640   0.980
  428   3HB   ALA  54          3HB       ALA  54 106.935   5.627   1.687
  429    H    GLU  55           H        GLU  55 104.732   6.603   0.482
  430    HA   GLU  55           HA       GLU  55 103.163   4.295   1.301
  431   1HB   GLU  55          2HB       GLU  55 103.130   6.533   2.385
  432   2HB   GLU  55          1HB       GLU  55 102.424   7.215   0.919
  433   1HG   GLU  55          2HG       GLU  55 100.378   6.176   1.251
  434   2HG   GLU  55          1HG       GLU  55 101.084   4.852   2.178
  435    H    LEU  56           H        LEU  56 103.196   6.436  -1.525
  436    HA   LEU  56           HA       LEU  56 100.705   5.761  -2.696
  437   1HB   LEU  56          2HB       LEU  56 102.687   7.420  -3.294
  438   2HB   LEU  56          1HB       LEU  56 103.188   6.099  -4.346
  439    HG   LEU  56           HG       LEU  56 100.451   7.406  -4.354
  440   1HD1  LEU  56          1HD1      LEU  56 102.723   8.498  -5.338
  441   2HD1  LEU  56          2HD1      LEU  56 101.150   8.710  -6.103
  442   3HD1  LEU  56          3HD1      LEU  56 102.264   7.487  -6.708
  443   1HD2  LEU  56          1HD2      LEU  56  99.982   5.294  -5.168
  444   2HD2  LEU  56          2HD2      LEU  56 101.640   5.017  -5.701
  445   3HD2  LEU  56          3HD2      LEU  56 100.565   6.037  -6.657
  446    H    LEU  57           H        LEU  57 103.863   4.392  -3.689
  447    HA   LEU  57           HA       LEU  57 102.786   2.237  -5.206
  448   1HB   LEU  57          2HB       LEU  57 105.427   2.570  -3.746
  449   2HB   LEU  57          1HB       LEU  57 105.121   1.379  -5.012
  450    HG   LEU  57           HG       LEU  57 104.450   4.215  -5.632
  451   1HD1  LEU  57          1HD1      LEU  57 107.291   3.309  -5.975
  452   2HD1  LEU  57          2HD1      LEU  57 106.788   3.999  -4.431
  453   3HD1  LEU  57          3HD1      LEU  57 106.644   4.949  -5.911
  454   1HD2  LEU  57          1HD2      LEU  57 106.030   2.344  -7.355
  455   2HD2  LEU  57          2HD2      LEU  57 104.796   3.517  -7.817
  456   3HD2  LEU  57          3HD2      LEU  57 104.326   1.986  -7.077
  457    H    LEU  58           H        LEU  58 103.817   2.381  -1.790
  458    HA   LEU  58           HA       LEU  58 103.609  -0.378  -1.166
  459   1HB   LEU  58          2HB       LEU  58 104.583   1.431   0.243
  460   2HB   LEU  58          1HB       LEU  58 102.954   2.036   0.552
  461    HG   LEU  58           HG       LEU  58 102.983  -0.784   1.074
  462   1HD1  LEU  58          1HD1      LEU  58 104.586  -0.468   3.137
  463   2HD1  LEU  58          2HD1      LEU  58 105.317   0.780   2.129
  464   3HD1  LEU  58          3HD1      LEU  58 105.258  -0.887   1.562
  465   1HD2  LEU  58          1HD2      LEU  58 102.732   0.394   3.506
  466   2HD2  LEU  58          2HD2      LEU  58 101.416   0.312   2.335
  467   3HD2  LEU  58          3HD2      LEU  58 102.394   1.774   2.463
  468    H    LEU  59           H        LEU  59 101.121   2.150  -0.566
  469    HA   LEU  59           HA       LEU  59  99.049   0.443   0.281
  470   1HB   LEU  59          2HB       LEU  59  97.899   2.411   0.291
  471   2HB   LEU  59          1HB       LEU  59  99.438   3.126  -0.171
  472    HG   LEU  59           HG       LEU  59  98.648   2.547  -2.620
  473   1HD1  LEU  59          1HD1      LEU  59  96.651   1.399  -2.433
  474   2HD1  LEU  59          2HD1      LEU  59  96.017   3.044  -2.472
  475   3HD1  LEU  59          3HD1      LEU  59  96.208   2.209  -0.931
  476   1HD2  LEU  59          1HD2      LEU  59  97.957   4.801  -0.800
  477   2HD2  LEU  59          2HD2      LEU  59  97.121   4.753  -2.353
  478   3HD2  LEU  59          3HD2      LEU  59  98.883   4.811  -2.301
  479    H    HIS  60           H        HIS  60 100.278   0.994  -2.956
  480    HA   HIS  60           HA       HIS  60  97.976  -0.266  -4.284
  481   1HB   HIS  60          2HB       HIS  60 100.542   1.065  -4.981
  482   2HB   HIS  60          1HB       HIS  60  99.938  -0.109  -6.149
  483    HD1  HIS  60           HD1      HIS  60  99.489   2.026  -7.724
  484    HD2  HIS  60           HD2      HIS  60  97.128   1.795  -4.297
  485    HE1  HIS  60           HE1      HIS  60  97.557   3.622  -8.078
  486    H    GLY  61           H        GLY  61 101.436  -1.095  -4.601
  487   1HA   GLY  61          2HA       GLY  61 101.384  -3.660  -3.487
  488   2HA   GLY  61          1HA       GLY  61 100.904  -3.830  -5.172
  489    H    ALA  62           H        ALA  62 103.317  -1.732  -3.573
  490    HA   ALA  62           HA       ALA  62 105.228  -2.046  -5.726
  491   1HB   ALA  62          1HB       ALA  62 106.146  -0.288  -4.628
  492   2HB   ALA  62          2HB       ALA  62 106.313  -1.225  -3.144
  493   3HB   ALA  62          3HB       ALA  62 104.795  -0.402  -3.500
  494    H    GLU  63           H        GLU  63 107.644  -2.488  -4.362
  495    HA   GLU  63           HA       GLU  63 107.363  -5.343  -3.474
  496   1HB   GLU  63          2HB       GLU  63 109.170  -3.911  -5.388
  497   2HB   GLU  63          1HB       GLU  63 109.818  -5.298  -4.512
  498   1HG   GLU  63          2HG       GLU  63 108.742  -6.707  -5.895
  499   2HG   GLU  63          1HG       GLU  63 107.197  -5.971  -5.468
  500    HA   PRO  64           HA       PRO  64 109.509  -2.903  -0.187
  501   1HB   PRO  64          2HB       PRO  64 107.948  -3.741   1.894
  502   2HB   PRO  64          1HB       PRO  64 107.538  -2.342   0.883
  503   1HG   PRO  64          2HG       PRO  64 106.418  -5.082   0.862
  504   2HG   PRO  64          1HG       PRO  64 105.637  -3.536   0.503
  505   1HD   PRO  64          2HD       PRO  64 106.502  -5.376  -1.386
  506   2HD   PRO  64          1HD       PRO  64 106.158  -3.662  -1.701
  507    H    ASN  65           H        ASN  65 108.489  -6.247  -0.497
  508    HA   ASN  65           HA       ASN  65 110.424  -7.180   1.546
  509   1HB   ASN  65          2HB       ASN  65 108.017  -8.119   0.188
  510   2HB   ASN  65          1HB       ASN  65 109.276  -9.354   0.203
  511   1HD2  ASN  65          1HD2      ASN  65 107.988 -10.592   1.807
  512   2HD2  ASN  65          2HD2      ASN  65 107.957 -10.105   3.433
  513    H    CYS  66           H        CYS  66 109.798  -7.694  -1.949
  514    HA   CYS  66           HA       CYS  66 112.031  -9.283  -2.570
  515   1HB   CYS  66          2HB       CYS  66 110.077  -7.641  -3.895
  516   2HB   CYS  66          1HB       CYS  66 111.627  -7.532  -4.715
  517    HG   CYS  66           HG       CYS  66 111.607 -10.170  -4.915
  518    H    ALA  67           H        ALA  67 114.181  -8.858  -2.281
  519    HA   ALA  67           HA       ALA  67 115.078  -6.001  -2.263
  520   1HB   ALA  67          1HB       ALA  67 116.757  -8.270  -1.285
  521   2HB   ALA  67          2HB       ALA  67 115.319  -7.865  -0.351
  522   3HB   ALA  67          3HB       ALA  67 116.569  -6.649  -0.616
  523    H    ASP  68           H        ASP  68 117.596  -5.996  -2.902
  524    HA   ASP  68           HA       ASP  68 117.726  -6.805  -5.699
  525   1HB   ASP  68          2HB       ASP  68 118.684  -4.727  -4.513
  526   2HB   ASP  68          1HB       ASP  68 119.967  -5.793  -3.939
  527    HA   PRO  69           HA       PRO  69 119.470 -10.793  -4.648
  528   1HB   PRO  69          2HB       PRO  69 119.840 -11.669  -7.212
  529   2HB   PRO  69          1HB       PRO  69 118.256 -11.665  -6.413
  530   1HG   PRO  69          2HG       PRO  69 119.376  -9.761  -8.400
  531   2HG   PRO  69          1HG       PRO  69 117.723 -10.368  -8.225
  532   1HD   PRO  69          2HD       PRO  69 118.542  -7.894  -7.384
  533   2HD   PRO  69          1HD       PRO  69 117.168  -8.778  -6.685
  534    H    ALA  70           H        ALA  70 120.954  -8.208  -6.375
  535    HA   ALA  70           HA       ALA  70 123.513  -9.519  -6.894
  536   1HB   ALA  70          1HB       ALA  70 122.200  -7.347  -7.849
  537   2HB   ALA  70          2HB       ALA  70 123.945  -7.552  -7.998
  538   3HB   ALA  70          3HB       ALA  70 123.281  -6.563  -6.698
  539    H    THR  71           H        THR  71 122.124  -7.573  -4.287
  540    HA   THR  71           HA       THR  71 124.561  -8.140  -2.658
  541    HB   THR  71           HB       THR  71 123.262  -5.424  -2.632
  542    HG1  THR  71           HG1      THR  71 124.254  -4.860  -4.415
  543   1HG2  THR  71          1HG2      THR  71 124.828  -5.552  -0.927
  544   2HG2  THR  71          2HG2      THR  71 125.835  -4.955  -2.244
  545   3HG2  THR  71          3HG2      THR  71 125.862  -6.666  -1.818
  546    H    LEU  72           H        LEU  72 121.477  -8.809  -2.824
  547    HA   LEU  72           HA       LEU  72 119.729  -9.184  -1.276
  548   1HB   LEU  72          2HB       LEU  72 122.284  -9.844  -0.208
  549   2HB   LEU  72          1HB       LEU  72 121.354  -9.118   1.102
  550    HG   LEU  72           HG       LEU  72 120.385 -11.383  -0.666
  551   1HD1  LEU  72          1HD1      LEU  72 122.290 -11.652   1.199
  552   2HD1  LEU  72          2HD1      LEU  72 121.039 -12.873   0.965
  553   3HD1  LEU  72          3HD1      LEU  72 120.882 -11.686   2.260
  554   1HD2  LEU  72          1HD2      LEU  72 119.175  -9.738   1.528
  555   2HD2  LEU  72          2HD2      LEU  72 118.742 -11.444   1.425
  556   3HD2  LEU  72          3HD2      LEU  72 118.425 -10.370   0.063
  557    H    THR  73           H        THR  73 120.452  -6.350  -1.866
  558    HA   THR  73           HA       THR  73 120.163  -4.919   0.691
  559    HB   THR  73           HB       THR  73 119.833  -3.109  -1.376
  560    HG1  THR  73           HG1      THR  73 121.292  -3.807  -2.967
  561   1HG2  THR  73          1HG2      THR  73 122.544  -3.240  -1.158
  562   2HG2  THR  73          2HG2      THR  73 122.057  -4.123   0.288
  563   3HG2  THR  73          3HG2      THR  73 121.500  -2.468   0.036
  564    H    ARG  74           H        ARG  74 118.187  -4.593   1.599
  565    HA   ARG  74           HA       ARG  74 115.731  -4.941  -0.028
  566   1HB   ARG  74          2HB       ARG  74 116.598  -5.124   2.779
  567   2HB   ARG  74          1HB       ARG  74 115.005  -4.391   2.579
  568   1HG   ARG  74          2HG       ARG  74 114.702  -6.437   0.881
  569   2HG   ARG  74          1HG       ARG  74 115.910  -7.162   1.941
  570   1HD   ARG  74          2HD       ARG  74 114.248  -6.129   3.814
  571   2HD   ARG  74          1HD       ARG  74 113.081  -6.455   2.517
  572    HE   ARG  74           HE       ARG  74 114.575  -8.475   4.005
  573   1HH1  ARG  74          2HH1      ARG  74 111.767  -8.674   2.797
  574   2HH1  ARG  74          1HH1      ARG  74 112.029  -9.848   1.552
  575   1HH2  ARG  74          1HH2      ARG  74 115.484  -9.549   1.629
  576   2HH2  ARG  74          2HH2      ARG  74 114.133 -10.343   0.889
  577    HA   PRO  75           HA       PRO  75 114.698  -0.670  -0.175
  578   1HB   PRO  75          2HB       PRO  75 112.083  -0.569   0.622
  579   2HB   PRO  75          1HB       PRO  75 112.592  -1.230  -0.944
  580   1HG   PRO  75          2HG       PRO  75 111.846  -2.656   1.559
  581   2HG   PRO  75          1HG       PRO  75 111.495  -3.073  -0.125
  582   1HD   PRO  75          2HD       PRO  75 113.461  -4.265   1.344
  583   2HD   PRO  75          1HD       PRO  75 113.512  -4.109  -0.427
  584    H    VAL  76           H        VAL  76 114.646  -2.287   2.835
  585    HA   VAL  76           HA       VAL  76 113.847  -0.034   4.509
  586    HB   VAL  76           HB       VAL  76 115.330  -2.621   5.089
  587   1HG1  VAL  76          1HG1      VAL  76 113.776  -0.811   6.963
  588   2HG1  VAL  76          2HG1      VAL  76 115.536  -0.848   6.851
  589   3HG1  VAL  76          3HG1      VAL  76 114.658  -2.275   7.400
  590   1HG2  VAL  76          1HG2      VAL  76 112.383  -1.916   5.296
  591   2HG2  VAL  76          2HG2      VAL  76 113.106  -3.462   5.742
  592   3HG2  VAL  76          3HG2      VAL  76 113.100  -2.946   4.056
  593    H    HIS  77           H        HIS  77 116.825  -1.163   3.059
  594    HA   HIS  77           HA       HIS  77 118.659   0.196   4.843
  595   1HB   HIS  77          2HB       HIS  77 118.711  -1.098   2.136
  596   2HB   HIS  77          1HB       HIS  77 120.102  -0.144   2.647
  597    HD1  HIS  77           HD1      HIS  77 118.344  -3.360   3.262
  598    HD2  HIS  77           HD2      HIS  77 121.443  -1.180   4.999
  599    HE1  HIS  77           HE1      HIS  77 119.519  -4.935   4.860
  600    H    ASP  78           H        ASP  78 117.499   0.982   1.536
  601    HA   ASP  78           HA       ASP  78 118.775   3.506   1.284
  602   1HB   ASP  78          2HB       ASP  78 116.284   2.225   0.164
  603   2HB   ASP  78          1HB       ASP  78 116.736   3.865  -0.302
  604    H    ALA  79           H        ALA  79 115.479   2.745   2.467
  605    HA   ALA  79           HA       ALA  79 114.662   5.418   3.025
  606   1HB   ALA  79          1HB       ALA  79 113.968   2.744   4.283
  607   2HB   ALA  79          2HB       ALA  79 113.134   3.526   2.939
  608   3HB   ALA  79          3HB       ALA  79 113.052   4.226   4.556
  609    H    ALA  80           H        ALA  80 116.753   3.218   4.791
  610    HA   ALA  80           HA       ALA  80 116.672   4.829   7.262
  611   1HB   ALA  80          1HB       ALA  80 118.488   2.534   6.476
  612   2HB   ALA  80          2HB       ALA  80 116.854   2.300   7.098
  613   3HB   ALA  80          3HB       ALA  80 118.083   3.063   8.108
  614    H    ARG  81           H        ARG  81 118.579   4.612   4.351
  615    HA   ARG  81           HA       ARG  81 121.022   5.771   5.398
  616   1HB   ARG  81          2HB       ARG  81 120.796   4.393   3.330
  617   2HB   ARG  81          1HB       ARG  81 119.875   5.700   2.588
  618   1HG   ARG  81          2HG       ARG  81 121.757   6.823   2.062
  619   2HG   ARG  81          1HG       ARG  81 122.352   6.708   3.719
  620   1HD   ARG  81          2HD       ARG  81 123.973   5.507   2.476
  621   2HD   ARG  81          1HD       ARG  81 122.906   4.222   3.078
  622    HE   ARG  81           HE       ARG  81 121.751   4.275   0.876
  623   1HH1  ARG  81          2HH1      ARG  81 124.846   3.830   0.623
  624   2HH1  ARG  81          1HH1      ARG  81 125.153   4.753  -0.809
  625   1HH2  ARG  81          1HH2      ARG  81 122.093   6.384  -0.732
  626   2HH2  ARG  81          2HH2      ARG  81 123.593   6.201  -1.577
  627    H    GLU  82           H        GLU  82 118.023   7.084   4.065
  628    HA   GLU  82           HA       GLU  82 119.111   9.820   3.890
  629   1HB   GLU  82          2HB       GLU  82 116.685   8.301   3.130
  630   2HB   GLU  82          1HB       GLU  82 116.403   9.992   3.547
  631   1HG   GLU  82          2HG       GLU  82 118.721   9.395   1.768
  632   2HG   GLU  82          1HG       GLU  82 117.108   9.251   1.069
  633    H    GLY  83           H        GLY  83 116.953   7.947   6.002
  634   1HA   GLY  83          2HA       GLY  83 116.779   8.434   8.379
  635   2HA   GLY  83          1HA       GLY  83 117.203  10.111   8.033
  636    H    PHE  84           H        PHE  84 114.743   8.001   6.535
  637    HA   PHE  84           HA       PHE  84 112.699  10.078   7.251
  638   1HB   PHE  84          2HB       PHE  84 113.543   9.133   4.790
  639   2HB   PHE  84          1HB       PHE  84 112.099   8.167   5.092
  640    HD1  PHE  84           HD1      PHE  84 109.904   9.267   5.481
  641    HD2  PHE  84           HD2      PHE  84 113.406  11.512   4.407
  642    HE1  PHE  84           HE1      PHE  84 108.479  11.208   4.891
  643    HE2  PHE  84           HE2      PHE  84 111.979  13.453   3.817
  644    HZ   PHE  84           HZ       PHE  84 109.516  13.301   4.059
  645    H    LEU  85           H        LEU  85 111.773   9.222   9.122
  646    HA   LEU  85           HA       LEU  85 111.327   6.372   9.513
  647   1HB   LEU  85          2HB       LEU  85 111.125   8.887  10.952
  648   2HB   LEU  85          1HB       LEU  85 109.708   7.883  11.259
  649    HG   LEU  85           HG       LEU  85 112.583   6.953  11.525
  650   1HD1  LEU  85          1HD1      LEU  85 111.369   8.661  13.222
  651   2HD1  LEU  85          2HD1      LEU  85 112.482   7.411  13.773
  652   3HD1  LEU  85          3HD1      LEU  85 110.742   7.141  13.856
  653   1HD2  LEU  85          1HD2      LEU  85 111.563   4.929  11.297
  654   2HD2  LEU  85          2HD2      LEU  85 109.956   5.612  11.538
  655   3HD2  LEU  85          3HD2      LEU  85 110.964   5.222  12.930
  656    H    ASP  86           H        ASP  86 109.508   8.980   8.065
  657    HA   ASP  86           HA       ASP  86 106.850   8.000   8.349
  658   1HB   ASP  86          2HB       ASP  86 108.199  10.104   7.117
  659   2HB   ASP  86          1HB       ASP  86 107.483   9.230   5.763
  660    H    THR  87           H        THR  87 109.314   7.315   5.848
  661    HA   THR  87           HA       THR  87 107.598   5.534   4.323
  662    HB   THR  87           HB       THR  87 110.604   5.949   4.454
  663    HG1  THR  87           HG1      THR  87 109.494   7.767   3.778
  664   1HG2  THR  87          1HG2      THR  87 110.726   4.104   3.163
  665   2HG2  THR  87          2HG2      THR  87 109.913   5.044   1.912
  666   3HG2  THR  87          3HG2      THR  87 108.972   4.019   2.996
  667    H    LEU  88           H        LEU  88 110.106   5.083   6.814
  668    HA   LEU  88           HA       LEU  88 110.349   2.266   6.756
  669   1HB   LEU  88          2HB       LEU  88 110.944   4.510   8.498
  670   2HB   LEU  88          1HB       LEU  88 110.439   3.115   9.451
  671    HG   LEU  88           HG       LEU  88 112.070   1.788   7.886
  672   1HD1  LEU  88          1HD1      LEU  88 114.064   3.552   7.537
  673   2HD1  LEU  88          2HD1      LEU  88 112.699   4.652   7.346
  674   3HD1  LEU  88          3HD1      LEU  88 112.856   3.249   6.290
  675   1HD2  LEU  88          1HD2      LEU  88 112.675   1.803  10.132
  676   2HD2  LEU  88          2HD2      LEU  88 112.683   3.564  10.222
  677   3HD2  LEU  88          3HD2      LEU  88 114.014   2.716   9.434
  678    H    VAL  89           H        VAL  89 108.043   4.286   8.601
  679    HA   VAL  89           HA       VAL  89 106.643   2.135   9.877
  680    HB   VAL  89           HB       VAL  89 105.751   4.908   9.007
  681   1HG1  VAL  89          1HG1      VAL  89 104.329   4.445  11.222
  682   2HG1  VAL  89          2HG1      VAL  89 104.505   2.774  10.686
  683   3HG1  VAL  89          3HG1      VAL  89 103.740   3.962   9.631
  684   1HG2  VAL  89          1HG2      VAL  89 107.833   4.530  10.560
  685   2HG2  VAL  89          2HG2      VAL  89 106.626   4.110  11.775
  686   3HG2  VAL  89          3HG2      VAL  89 106.612   5.711  11.035
  687    H    VAL  90           H        VAL  90 106.117   3.832   6.792
  688    HA   VAL  90           HA       VAL  90 103.680   2.656   6.010
  689    HB   VAL  90           HB       VAL  90 106.100   3.500   4.387
  690   1HG1  VAL  90          1HG1      VAL  90 104.336   2.100   3.191
  691   2HG1  VAL  90          2HG1      VAL  90 104.632   3.698   2.507
  692   3HG1  VAL  90          3HG1      VAL  90 103.206   3.417   3.507
  693   1HG2  VAL  90          1HG2      VAL  90 105.384   5.668   4.605
  694   2HG2  VAL  90          2HG2      VAL  90 104.689   5.049   6.102
  695   3HG2  VAL  90          3HG2      VAL  90 103.683   5.209   4.664
  696    H    LEU  91           H        LEU  91 107.019   1.554   5.349
  697    HA   LEU  91           HA       LEU  91 106.404  -0.774   3.846
  698   1HB   LEU  91          2HB       LEU  91 108.634   0.310   5.478
  699   2HB   LEU  91          1HB       LEU  91 108.679  -1.429   5.189
  700    HG   LEU  91           HG       LEU  91 108.090  -0.636   2.700
  701   1HD1  LEU  91          1HD1      LEU  91 109.579   1.428   2.302
  702   2HD1  LEU  91          2HD1      LEU  91 109.450   1.708   4.039
  703   3HD1  LEU  91          3HD1      LEU  91 108.000   1.715   3.035
  704   1HD2  LEU  91          1HD2      LEU  91 110.454  -0.870   2.189
  705   2HD2  LEU  91          2HD2      LEU  91 110.064  -1.975   3.508
  706   3HD2  LEU  91          3HD2      LEU  91 110.893  -0.456   3.847
  707    H    HIS  92           H        HIS  92 107.054  -0.507   7.360
  708    HA   HIS  92           HA       HIS  92 106.527  -3.220   8.035
  709   1HB   HIS  92          2HB       HIS  92 107.460  -1.051   9.301
  710   2HB   HIS  92          1HB       HIS  92 105.800  -0.996   9.894
  711    HD1  HIS  92           HD1      HIS  92 107.167  -1.576  12.229
  712    HD2  HIS  92           HD2      HIS  92 106.831  -4.634   9.416
  713    HE1  HIS  92           HE1      HIS  92 107.637  -3.739  13.462
  714    H    ARG  93           H        ARG  93 104.356  -0.527   7.421
  715    HA   ARG  93           HA       ARG  93 102.000  -1.609   8.676
  716   1HB   ARG  93          2HB       ARG  93 102.809   0.718   7.376
  717   2HB   ARG  93          1HB       ARG  93 101.589   0.049   6.293
  718   1HG   ARG  93          2HG       ARG  93  99.890   0.316   7.815
  719   2HG   ARG  93          1HG       ARG  93 100.946   0.031   9.199
  720   1HD   ARG  93          2HD       ARG  93 100.592   2.324   9.428
  721   2HD   ARG  93          1HD       ARG  93 102.021   2.348   8.374
  722    HE   ARG  93           HE       ARG  93  99.950   2.134   6.576
  723   1HH1  ARG  93          1HH2      ARG  93  98.260   3.476   8.688
  724   2HH1  ARG  93          2HH2      ARG  93  98.449   5.148   8.277
  725   1HH2  ARG  93          2HH1      ARG  93 101.227   4.612   6.270
  726   2HH2  ARG  93          1HH1      ARG  93 100.130   5.791   6.907
  727    H    ALA  94           H        ALA  94 102.542  -1.266   5.152
  728    HA   ALA  94           HA       ALA  94 100.576  -3.081   4.311
  729   1HB   ALA  94          1HB       ALA  94 102.364  -3.257   2.327
  730   2HB   ALA  94          2HB       ALA  94 103.108  -1.932   3.224
  731   3HB   ALA  94          3HB       ALA  94 101.458  -1.772   2.622
  732    H    GLY  95           H        GLY  95 103.823  -3.707   5.506
  733   1HA   GLY  95          2HA       GLY  95 104.131  -5.984   6.531
  734   2HA   GLY  95          1HA       GLY  95 103.342  -6.632   5.092
  735    H    ALA  96           H        ALA  96 106.292  -5.145   6.311
  736    HA   ALA  96           HA       ALA  96 107.717  -6.191   3.895
  737   1HB   ALA  96          1HB       ALA  96 107.198  -3.712   3.821
  738   2HB   ALA  96          2HB       ALA  96 108.917  -4.097   3.730
  739   3HB   ALA  96          3HB       ALA  96 108.221  -3.523   5.246
  740    H    ARG  97           H        ARG  97 109.570  -7.306   4.436
  741    HA   ARG  97           HA       ARG  97 110.217  -7.827   7.212
  742   1HB   ARG  97          2HB       ARG  97 110.475  -9.332   5.166
  743   2HB   ARG  97          1HB       ARG  97 111.887  -8.364   4.742
  744   1HG   ARG  97          2HG       ARG  97 112.482  -8.881   7.319
  745   2HG   ARG  97          1HG       ARG  97 111.527 -10.320   6.955
  746   1HD   ARG  97          2HD       ARG  97 113.029 -10.389   4.770
  747   2HD   ARG  97          1HD       ARG  97 114.144  -9.441   5.775
  748    HE   ARG  97           HE       ARG  97 114.050 -11.273   7.452
  749   1HH1  ARG  97          1HH2      ARG  97 115.212 -12.526   5.015
  750   2HH1  ARG  97          2HH2      ARG  97 114.239 -13.946   4.825
  751   1HH2  ARG  97          2HH1      ARG  97 111.716 -12.817   6.918
  752   2HH2  ARG  97          1HH1      ARG  97 112.260 -14.110   5.902
  753    H    LEU  98           H        LEU  98 111.939  -6.995   8.438
  754    HA   LEU  98           HA       LEU  98 113.521  -4.778   7.176
  755   1HB   LEU  98          2HB       LEU  98 112.121  -5.073   9.829
  756   2HB   LEU  98          1HB       LEU  98 113.444  -3.923   9.639
  757    HG   LEU  98           HG       LEU  98 111.946  -3.387   7.408
  758   1HD1  LEU  98          1HD1      LEU  98 109.832  -3.516   9.501
  759   2HD1  LEU  98          2HD1      LEU  98 110.263  -5.035   8.714
  760   3HD1  LEU  98          3HD1      LEU  98 109.693  -3.673   7.750
  761   1HD2  LEU  98          1HD2      LEU  98 112.661  -1.554   8.657
  762   2HD2  LEU  98          2HD2      LEU  98 112.070  -2.230  10.176
  763   3HD2  LEU  98          3HD2      LEU  98 110.934  -1.544   9.014
  764    H    ASP  99           H        ASP  99 113.740  -7.844   8.537
  765    HA   ASP  99           HA       ASP  99 116.327  -7.374   9.911
  766   1HB   ASP  99          2HB       ASP  99 114.477  -8.845  10.798
  767   2HB   ASP  99          1HB       ASP  99 114.760  -9.928   9.435
  768    H    VAL 100           H        VAL 100 117.144  -6.689   7.617
  769    HA   VAL 100           HA       VAL 100 118.274  -9.118   6.278
  770    HB   VAL 100           HB       VAL 100 116.330  -8.199   5.027
  771   1HG1  VAL 100          1HG1      VAL 100 117.774  -5.729   4.281
  772   2HG1  VAL 100          2HG1      VAL 100 117.173  -5.764   5.937
  773   3HG1  VAL 100          3HG1      VAL 100 116.057  -5.980   4.591
  774   1HG2  VAL 100          1HG2      VAL 100 118.355  -9.165   3.859
  775   2HG2  VAL 100          2HG2      VAL 100 118.933  -7.514   3.635
  776   3HG2  VAL 100          3HG2      VAL 100 117.424  -8.031   2.883
  777    H    CYS 101           H        CYS 101 120.392  -8.767   5.377
  778    HA   CYS 101           HA       CYS 101 121.710  -6.222   6.274
  779   1HB   CYS 101          2HB       CYS 101 123.036  -8.904   5.782
  780   2HB   CYS 101          1HB       CYS 101 123.675  -7.532   6.682
  781    HG   CYS 101           HG       CYS 101 121.838  -9.671   7.817
  782    H    ASP 102           H        ASP 102 123.444  -5.448   4.815
  783    HA   ASP 102           HA       ASP 102 122.691  -5.527   2.028
  784   1HB   ASP 102          2HB       ASP 102 124.147  -3.905   3.691
  785   2HB   ASP 102          1HB       ASP 102 125.433  -4.690   2.775
  786    H    ALA 103           H        ALA 103 122.757  -7.998   1.920
  787    HA   ALA 103           HA       ALA 103 123.773  -9.943   1.066
  788   1HB   ALA 103          1HB       ALA 103 125.138  -7.625  -0.018
  789   2HB   ALA 103          2HB       ALA 103 124.799  -9.170  -0.795
  790   3HB   ALA 103          3HB       ALA 103 126.265  -8.968   0.161
  791    H    TRP 104           H        TRP 104 126.782  -8.266   1.956
  792    HA   TRP 104           HA       TRP 104 127.147 -10.240   4.185
  793   1HB   TRP 104          2HB       TRP 104 129.589 -10.192   3.454
  794   2HB   TRP 104          1HB       TRP 104 128.484 -10.955   2.313
  795    HD1  TRP 104           HD1      TRP 104 130.153  -7.519   2.916
  796    HE1  TRP 104           HE1      TRP 104 130.521  -6.393   0.626
  797    HE3  TRP 104           HE3      TRP 104 127.930 -10.963  -0.127
  798    HZ2  TRP 104           HZ2      TRP 104 129.948  -6.889  -2.133
  799    HZ3  TRP 104           HZ3      TRP 104 127.855 -10.614  -2.579
  800    HH2  TRP 104           HH2      TRP 104 128.860  -8.583  -3.586
  801    H    GLY 105           H        GLY 105 126.153  -7.515   4.397
  802   1HA   GLY 105          2HA       GLY 105 128.466  -6.234   5.793
  803   2HA   GLY 105          1HA       GLY 105 127.219  -5.299   4.970
  804    H    ARG 106           H        ARG 106 126.359  -4.209   6.729
  805    HA   ARG 106           HA       ARG 106 125.496  -5.796   9.103
  806   1HB   ARG 106          2HB       ARG 106 125.679  -2.813   8.567
  807   2HB   ARG 106          1HB       ARG 106 125.316  -3.550  10.127
  808   1HG   ARG 106          2HG       ARG 106 127.510  -4.687  10.100
  809   2HG   ARG 106          1HG       ARG 106 127.876  -3.934   8.548
  810   1HD   ARG 106          2HD       ARG 106 127.081  -1.807  10.224
  811   2HD   ARG 106          1HD       ARG 106 128.164  -2.814  11.207
  812    HE   ARG 106           HE       ARG 106 128.942  -2.018   8.431
  813   1HH1  ARG 106          1HH2      ARG 106 129.331  -0.428  11.193
  814   2HH1  ARG 106          2HH2      ARG 106 131.032  -0.684  11.390
  815   1HH2  ARG 106          2HH1      ARG 106 131.217  -3.137   8.946
  816   2HH2  ARG 106          1HH1      ARG 106 132.100  -2.217  10.118
  817    H    LEU 107           H        LEU 107 123.425  -4.204   9.996
  818    HA   LEU 107           HA       LEU 107 121.271  -4.860   8.055
  819   1HB   LEU 107          2HB       LEU 107 121.629  -4.505  10.986
  820   2HB   LEU 107          1HB       LEU 107 120.054  -4.042  10.343
  821    HG   LEU 107           HG       LEU 107 120.454  -6.412   9.049
  822   1HD1  LEU 107          1HD1      LEU 107 121.478  -6.895  11.850
  823   2HD1  LEU 107          2HD1      LEU 107 122.575  -6.633  10.495
  824   3HD1  LEU 107          3HD1      LEU 107 121.471  -8.008  10.482
  825   1HD2  LEU 107          1HD2      LEU 107 118.482  -5.577  10.430
  826   2HD2  LEU 107          2HD2      LEU 107 119.308  -6.226  11.848
  827   3HD2  LEU 107          3HD2      LEU 107 118.803  -7.308  10.548
  828    HA   PRO 108           HA       PRO 108 120.264  -0.684   7.106
  829   1HB   PRO 108          2HB       PRO 108 117.588  -0.441   7.661
  830   2HB   PRO 108          1HB       PRO 108 118.212  -1.343   6.263
  831   1HG   PRO 108          2HG       PRO 108 117.295  -2.363   8.913
  832   2HG   PRO 108          1HG       PRO 108 116.994  -3.010   7.291
  833   1HD   PRO 108          2HD       PRO 108 118.849  -4.068   8.937
  834   2HD   PRO 108          1HD       PRO 108 119.053  -4.039   7.172
  835    H    VAL 109           H        VAL 109 119.491  -1.831  10.310
  836    HA   VAL 109           HA       VAL 109 118.902   0.752  11.500
  837    HB   VAL 109           HB       VAL 109 118.164  -1.439  12.391
  838   1HG1  VAL 109          1HG1      VAL 109 119.594  -3.142  12.928
  839   2HG1  VAL 109          2HG1      VAL 109 120.849  -2.044  13.501
  840   3HG1  VAL 109          3HG1      VAL 109 120.650  -2.331  11.773
  841   1HG2  VAL 109          1HG2      VAL 109 120.083   0.006  14.246
  842   2HG2  VAL 109          2HG2      VAL 109 118.749  -1.033  14.746
  843   3HG2  VAL 109          3HG2      VAL 109 118.418   0.493  13.926
  844    H    ASP 110           H        ASP 110 121.829  -1.075  10.827
  845    HA   ASP 110           HA       ASP 110 123.541   0.509  12.599
  846   1HB   ASP 110          2HB       ASP 110 123.955  -1.541  10.409
  847   2HB   ASP 110          1HB       ASP 110 125.306  -0.788  11.260
  848    H    LEU 111           H        LEU 111 122.797   0.418   9.116
  849    HA   LEU 111           HA       LEU 111 124.733   2.299   8.210
  850   1HB   LEU 111          2HB       LEU 111 122.727   0.757   7.147
  851   2HB   LEU 111          1HB       LEU 111 122.048   2.376   6.971
  852    HG   LEU 111           HG       LEU 111 124.903   1.912   6.180
  853   1HD1  LEU 111          1HD1      LEU 111 122.462   0.861   4.810
  854   2HD1  LEU 111          2HD1      LEU 111 124.097   0.199   4.855
  855   3HD1  LEU 111          3HD1      LEU 111 123.729   1.567   3.806
  856   1HD2  LEU 111          1HD2      LEU 111 122.636   3.706   5.263
  857   2HD2  LEU 111          2HD2      LEU 111 124.212   3.645   4.472
  858   3HD2  LEU 111          3HD2      LEU 111 124.085   4.188   6.146
  859    H    ALA 112           H        ALA 112 121.698   2.730   9.917
  860    HA   ALA 112           HA       ALA 112 121.447   5.587   9.362
  861   1HB   ALA 112          1HB       ALA 112 119.777   5.270  11.338
  862   2HB   ALA 112          2HB       ALA 112 120.179   3.559  11.204
  863   3HB   ALA 112          3HB       ALA 112 119.453   4.403   9.836
  864    H    GLU 113           H        GLU 113 122.255   3.708  12.311
  865    HA   GLU 113           HA       GLU 113 122.934   5.822  14.014
  866   1HB   GLU 113          2HB       GLU 113 124.035   3.020  13.698
  867   2HB   GLU 113          1HB       GLU 113 124.400   4.046  15.086
  868   1HG   GLU 113          2HG       GLU 113 121.937   4.273  15.495
  869   2HG   GLU 113          1HG       GLU 113 121.657   3.107  14.201
  870    H    GLU 114           H        GLU 114 124.737   4.502  11.312
  871    HA   GLU 114           HA       GLU 114 127.296   5.706  12.062
  872   1HB   GLU 114          2HB       GLU 114 126.124   4.007   9.971
  873   2HB   GLU 114          1HB       GLU 114 127.340   5.123   9.349
  874   1HG   GLU 114          2HG       GLU 114 128.864   4.356  11.219
  875   2HG   GLU 114          1HG       GLU 114 127.678   3.101  11.578
  876    H    GLN 115           H        GLN 115 124.942   6.360   9.428
  877    HA   GLN 115           HA       GLN 115 126.153   8.790   8.534
  878   1HB   GLN 115          2HB       GLN 115 124.057   7.128   7.823
  879   2HB   GLN 115          1HB       GLN 115 123.223   8.600   8.320
  880   1HG   GLN 115          2HG       GLN 115 123.689   8.887   5.999
  881   2HG   GLN 115          1HG       GLN 115 124.888   9.868   6.845
  882   1HE2  GLN 115          1HE2      GLN 115 126.974   9.561   6.071
  883   2HE2  GLN 115          2HE2      GLN 115 127.555   8.129   5.366
  884    H    GLY 116           H        GLY 116 123.048   8.547  10.304
  885   1HA   GLY 116          2HA       GLY 116 123.473  10.056  12.541
  886   2HA   GLY 116          1HA       GLY 116 123.368  11.291  11.285
  887    H    HIS 117           H        HIS 117 121.573   8.229  11.712
  888    HA   HIS 117           HA       HIS 117 119.044   9.852  11.700
  889   1HB   HIS 117          2HB       HIS 117 119.552   7.079  10.564
  890   2HB   HIS 117          1HB       HIS 117 118.068   8.014  10.408
  891    HD1  HIS 117           HD1      HIS 117 118.857  10.681   9.476
  892    HD2  HIS 117           HD2      HIS 117 120.912   7.294   8.179
  893    HE1  HIS 117           HE1      HIS 117 120.013  11.328   7.318
  894    H    ARG 118           H        ARG 118 119.778   9.587  14.174
  895    HA   ARG 118           HA       ARG 118 119.552   7.129  15.561
  896   1HB   ARG 118          2HB       ARG 118 119.637   9.956  16.092
  897   2HB   ARG 118          1HB       ARG 118 118.399   9.227  17.114
  898   1HG   ARG 118          2HG       ARG 118 120.173   8.754  18.469
  899   2HG   ARG 118          1HG       ARG 118 120.381   7.387  17.374
  900   1HD   ARG 118          2HD       ARG 118 122.386   8.197  16.708
  901   2HD   ARG 118          1HD       ARG 118 121.632   9.732  16.231
  902    HE   ARG 118           HE       ARG 118 122.636   9.118  18.980
  903   1HH1  ARG 118          1HH2      ARG 118 123.914  11.173  17.148
  904   2HH1  ARG 118          2HH2      ARG 118 123.243  12.647  17.765
  905   1HH2  ARG 118          2HH1      ARG 118 120.712  11.063  19.532
  906   2HH2  ARG 118          1HH1      ARG 118 121.430  12.584  19.115
  907    H    ASP 119           H        ASP 119 117.034   9.355  14.430
  908    HA   ASP 119           HA       ASP 119 114.804   8.217  15.803
  909   1HB   ASP 119          2HB       ASP 119 115.164   9.678  13.175
  910   2HB   ASP 119          1HB       ASP 119 113.573   9.283  13.827
  911    H    ILE 120           H        ILE 120 116.085   7.547  12.524
  912    HA   ILE 120           HA       ILE 120 114.198   5.417  11.982
  913    HB   ILE 120           HB       ILE 120 115.812   7.000  10.520
  914   1HG1  ILE 120          2HG1      ILE 120 115.423   4.308   9.326
  915   2HG1  ILE 120          1HG1      ILE 120 113.981   5.083   9.987
  916   1HG2  ILE 120          1HG2      ILE 120 117.277   4.375  10.343
  917   2HG2  ILE 120          2HG2      ILE 120 117.796   5.613  11.484
  918   3HG2  ILE 120          3HG2      ILE 120 117.775   5.961   9.756
  919   1HD1  ILE 120          1HD1      ILE 120 115.874   6.556   8.150
  920   2HD1  ILE 120          2HD1      ILE 120 114.211   6.970   8.566
  921   3HD1  ILE 120          3HD1      ILE 120 114.540   5.584   7.526
  922    H    ALA 121           H        ALA 121 117.308   5.579  13.588
  923    HA   ALA 121           HA       ALA 121 118.006   2.780  13.381
  924   1HB   ALA 121          1HB       ALA 121 118.740   5.063  15.229
  925   2HB   ALA 121          2HB       ALA 121 119.687   4.407  13.894
  926   3HB   ALA 121          3HB       ALA 121 119.475   3.466  15.370
  927    H    ARG 122           H        ARG 122 116.387   4.709  15.920
  928    HA   ARG 122           HA       ARG 122 116.021   2.631  17.828
  929   1HB   ARG 122          2HB       ARG 122 114.411   5.103  17.119
  930   2HB   ARG 122          1HB       ARG 122 114.142   4.152  18.581
  931   1HG   ARG 122          2HG       ARG 122 116.161   4.783  19.533
  932   2HG   ARG 122          1HG       ARG 122 116.925   5.079  17.970
  933   1HD   ARG 122          2HD       ARG 122 116.542   7.286  18.437
  934   2HD   ARG 122          1HD       ARG 122 114.862   6.932  17.986
  935    HE   ARG 122           HE       ARG 122 114.294   6.978  20.283
  936   1HH1  ARG 122          1HH2      ARG 122 117.359   8.154  20.049
  937   2HH1  ARG 122          2HH2      ARG 122 117.896   7.648  21.615
  938   1HH2  ARG 122          2HH1      ARG 122 115.119   5.660  22.218
  939   2HH2  ARG 122          1HH1      ARG 122 116.629   6.235  22.843
  940    H    TYR 123           H        TYR 123 113.706   3.832  15.360
  941    HA   TYR 123           HA       TYR 123 111.683   1.872  15.808
  942   1HB   TYR 123          2HB       TYR 123 111.656   4.066  14.477
  943   2HB   TYR 123          1HB       TYR 123 112.407   3.159  13.164
  944    HD1  TYR 123           HD1      TYR 123 111.147   1.637  11.818
  945    HD2  TYR 123           HD2      TYR 123 109.400   3.371  15.339
  946    HE1  TYR 123           HE1      TYR 123 108.923   0.774  11.140
  947    HE2  TYR 123           HE2      TYR 123 107.176   2.506  14.661
  948    HH   TYR 123           HH       TYR 123 106.118   1.856  12.247
  949    H    LEU 124           H        LEU 124 114.582   1.835  13.759
  950    HA   LEU 124           HA       LEU 124 113.953  -0.653  12.407
  951   1HB   LEU 124          2HB       LEU 124 116.379   1.092  12.817
  952   2HB   LEU 124          1HB       LEU 124 116.516  -0.451  11.973
  953    HG   LEU 124           HG       LEU 124 114.545   1.722  11.220
  954   1HD1  LEU 124          1HD1      LEU 124 116.898   2.431  10.860
  955   2HD1  LEU 124          2HD1      LEU 124 116.047   2.186   9.336
  956   3HD1  LEU 124          3HD1      LEU 124 117.180   0.967   9.919
  957   1HD2  LEU 124          1HD2      LEU 124 113.662  -0.238  10.335
  958   2HD2  LEU 124          2HD2      LEU 124 115.242  -1.007  10.193
  959   3HD2  LEU 124          3HD2      LEU 124 114.755   0.229   9.032
  960    H    HIS 125           H        HIS 125 115.935   0.207  15.247
  961    HA   HIS 125           HA       HIS 125 117.069  -2.354  15.757
  962   1HB   HIS 125          2HB       HIS 125 117.543  -0.040  16.775
  963   2HB   HIS 125          1HB       HIS 125 116.171  -0.350  17.839
  964    HD1  HIS 125           HD1      HIS 125 119.738  -0.915  17.580
  965    HD2  HIS 125           HD2      HIS 125 116.546  -2.940  19.335
  966    HE1  HIS 125           HE1      HIS 125 120.745  -2.520  19.261
  967    H    ALA 126           H        ALA 126 113.820  -1.161  16.237
  968    HA   ALA 126           HA       ALA 126 113.083  -3.288  18.141
  969   1HB   ALA 126          1HB       ALA 126 111.096  -2.065  18.323
  970   2HB   ALA 126          2HB       ALA 126 111.168  -1.514  16.649
  971   3HB   ALA 126          3HB       ALA 126 112.237  -0.804  17.859
  972    H    ALA 127           H        ALA 127 112.803  -2.612  14.682
  973    HA   ALA 127           HA       ALA 127 111.092  -5.013  14.278
  974   1HB   ALA 127          1HB       ALA 127 111.416  -3.981  11.831
  975   2HB   ALA 127          2HB       ALA 127 111.892  -2.563  12.766
  976   3HB   ALA 127          3HB       ALA 127 110.291  -3.268  12.987
  977    H    THR 128           H        THR 128 114.406  -3.978  13.963
  978    HA   THR 128           HA       THR 128 115.060  -6.345  12.259
  979    HB   THR 128           HB       THR 128 117.095  -5.138  11.770
  980    HG1  THR 128           HG1      THR 128 116.282  -3.499  13.928
  981   1HG2  THR 128          1HG2      THR 128 116.003  -3.725  10.404
  982   2HG2  THR 128          2HG2      THR 128 115.561  -2.692  11.763
  983   3HG2  THR 128          3HG2      THR 128 114.529  -4.050  11.316
  984    H    GLY 129           H        GLY 129 115.237  -5.192  15.510
  985   1HA   GLY 129          2HA       GLY 129 117.597  -6.454  16.446
  986   2HA   GLY 129          1HA       GLY 129 116.177  -6.136  17.442
  987    H    ASP 130           HN       ASP 130 114.346  -7.748  17.159
  988    HA   ASP 130           HA       ASP 130 114.879 -10.342  16.031
  989   1HB   ASP 130          2HB       ASP 130 115.682  -9.678  18.792
  990   2HB   ASP 130          1HB       ASP 130 114.736 -11.160  18.651