*HEADER    STRUCTURAL GENOMICS, SIGNALING PROTEIN  26-JUL-02   1M94              
*TITLE     SOLUTION STRUCTURE OF THE YEAST UBIQUITIN-LIKE MODIFIER               
*TITLE    2 PROTEIN HUB1                                                         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PROTEIN YNR032C-A;                                         
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: HUB1;                                                       
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE;                       
*SOURCE   3 ORGANISM_COMMON: YEAST;                                              
*SOURCE   4 GENE: YNR032C-A/HUB1;                                                
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21-(GOLD LAMDADE3);                      
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET15B                                    
*KEYWDS    UBIQUITIN-LIKE FOLD OR BETA-GRASP FOLD                                
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    T.A.RAMELOT, R.J.CORT, A.A.YEE, A.SEMESI, A.M.EDWARDS,                
*AUTHOR   2 C.H.ARROWSMITH, M.A.KENNEDY                                          
*REVDAT   1   11-DEC-02 1M94    0                                                
remarks Hub1 constraints used in xplor 3.84

remarks   table of backbone dihedrals 

remarks : PHI CONSTRAINTS

remarks:  HELIX
! phi is restrained to -57 + or - 25 degrees for J < 6
assign (resid   23 and  name C    ) (resid   24 and  name N    ) 
       (resid   24 and  name CA   ) (resid   24 and  name C    ) 1.0 -57.0 25 2
assign (resid   24 and  name C    ) (resid   25 and  name N    ) 
       (resid   25 and  name CA   ) (resid   25 and  name C    ) 1.0 -57.0 25 2
assign (resid   25 and  name C    ) (resid   26 and  name N    ) 
       (resid   26 and  name CA   ) (resid   26 and  name C    ) 1.0 -57.0 25 2
assign (resid   26 and  name C    ) (resid   27 and  name N    ) 
       (resid   27 and  name CA   ) (resid   27 and  name C    ) 1.0 -57.0 25 2
assign (resid   27 and  name C    ) (resid   28 and  name N    ) 
       (resid   28 and  name CA   ) (resid   28 and  name C    ) 1.0 -57.0 25 2
assign (resid   28 and  name C    ) (resid   29 and  name N    ) 
       (resid   29 and  name CA   ) (resid   29 and  name C    ) 1.0 -57.0 25 2
assign (resid   29 and  name C    ) (resid   30 and  name N    ) 
       (resid   30 and  name CA   ) (resid   30 and  name C    ) 1.0 -57.0 25 2
assign (resid   30 and  name C    ) (resid   31 and  name N    ) 
       (resid   31 and  name CA   ) (resid   31 and  name C    ) 1.0 -57.0 25 2
assign (resid   31 and  name C    ) (resid   32 and  name N    ) 
       (resid   32 and  name CA   ) (resid   32 and  name C    ) 1.0 -57.0 25 2
assign (resid   32 and  name C    ) (resid   33 and  name N    ) 
       (resid   33 and  name CA   ) (resid   33 and  name C    ) 1.0 -57.0 25 2
assign (resid   33 and  name C    ) (resid   34 and  name N    ) 
       (resid   34 and  name CA   ) (resid   34 and  name C    ) 1.0 -57.0 25 2
assign (resid   56 and  name C    ) (resid   57 and  name N    ) 
       (resid   57 and  name CA   ) (resid   57 and  name C    ) 1.0 -57.0 25 2
assign (resid   57 and  name C    ) (resid   58 and  name N    ) 
       (resid   58 and  name CA   ) (resid   58 and  name C    ) 1.0 -57.0 25 2
assign (resid   58 and  name C    ) (resid   59 and  name N    ) 
       (resid   59 and  name CA   ) (resid   59 and  name C    ) 1.0 -57.0 25 2
assign (resid   59 and  name C    ) (resid   60 and  name N    ) 
       (resid   60 and  name CA   ) (resid   60 and  name C    ) 1.0 -57.0 25 2

remarks:  SHEET
! phi is restrained to -139 (used to be -120) + or - 40 degrees for J > 8
assign (resid    2 and  name C    ) (resid    3 and  name N    ) 
       (resid    3 and  name CA   ) (resid    3 and  name C    ) 1.0 -139.0 40 2
assign (resid    3 and  name C    ) (resid    4 and  name N    ) 
       (resid    4 and  name CA   ) (resid    4 and  name C    ) 1.0 -139.0 40 2
assign (resid    4 and  name C    ) (resid    5 and  name N    ) 
       (resid    5 and  name CA   ) (resid    5 and  name C    ) 1.0 -139.0 40 2
assign (resid    5 and  name C    ) (resid    6 and  name N    ) 
       (resid    6 and  name CA   ) (resid    6 and  name C    ) 1.0 -139.0 40 2
assign (resid    6 and  name C    ) (resid    7 and  name N    ) 
       (resid    7 and  name CA   ) (resid    7 and  name C    ) 1.0 -139.0 40 2
assign (resid   12 and  name C    ) (resid   13 and  name N    ) 
       (resid   13 and  name CA   ) (resid   13 and  name C    ) 1.0 -139.0 40 2
assign (resid   13 and  name C    ) (resid   14 and  name N    ) 
       (resid   14 and  name CA   ) (resid   14 and  name C    ) 1.0 -139.0 40 2
assign (resid   14 and  name C    ) (resid   15 and  name N    ) 
       (resid   15 and  name CA   ) (resid   15 and  name C    ) 1.0 -139.0 40 2
assign (resid   15 and  name C    ) (resid   16 and  name N    ) 
       (resid   16 and  name CA   ) (resid   16 and  name C    ) 1.0 -139.0 40 2
assign (resid   16 and  name C    ) (resid   17 and  name N    ) 
       (resid   17 and  name CA   ) (resid   17 and  name C    ) 1.0 -139.0 40 2
assign (resid   41 and  name C    ) (resid   42 and  name N    ) 
       (resid   42 and  name CA   ) (resid   42 and  name C    ) 1.0 -139.0 40 2
assign (resid   42 and  name C    ) (resid   43 and  name N    ) 
       (resid   43 and  name CA   ) (resid   43 and  name C    ) 1.0 -139.0 40 2
assign (resid   43 and  name C    ) (resid   44 and  name N    ) 
       (resid   44 and  name CA   ) (resid   44 and  name C    ) 1.0 -139.0 40 2
assign (resid   44 and  name C    ) (resid   45 and  name N    ) 
       (resid   45 and  name CA   ) (resid   45 and  name C    ) 1.0 -139.0 40 2
assign (resid   48 and  name C    ) (resid   49 and  name N    ) 
       (resid   49 and  name CA   ) (resid   49 and  name C    ) 1.0 -139.0 40 2
assign (resid   66 and  name C    ) (resid   67 and  name N    ) 
       (resid   67 and  name CA   ) (resid   67 and  name C    ) 1.0 -139.0 40 2
assign (resid   67 and  name C    ) (resid   68 and  name N    ) 
       (resid   68 and  name CA   ) (resid   68 and  name C    ) 1.0 -139.0 40 2
assign (resid   68 and  name C    ) (resid   69 and  name N    ) 
       (resid   69 and  name CA   ) (resid   69 and  name C    ) 1.0 -139.0 40 2
assign (resid   69 and  name C    ) (resid   70 and  name N    ) 
       (resid   70 and  name CA   ) (resid   70 and  name C    ) 1.0 -139.0 40 2
assign (resid   70 and  name C    ) (resid   71 and  name N    ) 
       (resid   71 and  name CA   ) (resid   71 and  name C    ) 1.0 -139.0 40 2
assign (resid   71 and  name C    ) (resid   72 and  name N    ) 
       (resid   72 and  name CA   ) (resid   72 and  name C    ) 1.0 -139.0 40 2

remarks: OTHER
! phi is restrained to -57 + or - 30 degrees for J < 6
assign (resid    7 and  name C    ) (resid    8 and  name N    )
       (resid    8 and  name CA   ) (resid    8 and  name C    ) 1.0 -57.0 30 2
assign (resid   19 and  name C    ) (resid   20 and  name N    )
       (resid   20 and  name CA   ) (resid   20 and  name C    ) 1.0 -57.0 30 2
assign (resid   52 and  name C    ) (resid   53 and  name N    )
       (resid   53 and  name CA   ) (resid   53 and  name C    ) 1.0 -57.0 30 2
assign (resid   53 and  name C    ) (resid   54 and  name N    )
       (resid   54 and  name CA   ) (resid   54 and  name C    ) 1.0 -57.0 30 2
! phi is restrained to -130 + or - 50 degrees for J > 8
assign (resid   49 and  name C    ) (resid   50 and  name N    )
       (resid   50 and  name CA   ) (resid   50 and  name C    ) 1.0 -130.0 50 2
assign (resid   54 and  name C    ) (resid   55 and  name N    )
       (resid   55 and  name CA   ) (resid   55 and  name C    ) 1.0 -130.0 50 2
! phi is restrained to -100 + or - 80 when Ha-HN own is clearly weaker than prev.Ha
assign (resid   17 and  name C    ) (resid   18 and  name N    )
       (resid   18 and  name CA   ) (resid   18 and  name C    ) 1.0 -100.0 80 2
assign (resid   20 and  name C    ) (resid   21 and  name N    )
       (resid   21 and  name CA   ) (resid   21 and  name C    ) 1.0 -100.0 80 2
assign (resid   22 and  name C    ) (resid   23 and  name N    )
       (resid   23 and  name CA   ) (resid   23 and  name C    ) 1.0 -100.0 80 2
assign (resid   45 and  name C    ) (resid   46 and  name N    )
       (resid   46 and  name CA   ) (resid   46 and  name C    ) 1.0 -100.0 80 2
assign (resid   49 and  name C    ) (resid   50 and  name N    )
       (resid   50 and  name CA   ) (resid   50 and  name C    ) 1.0 -100.0 80 2
assign (resid   51 and  name C    ) (resid   52 and  name N    )
       (resid   52 and  name CA   ) (resid   52 and  name C    ) 1.0 -100.0 80 2
assign (resid   62 and  name C    ) (resid   63 and  name N    )
       (resid   63 and  name CA   ) (resid   63 and  name C    ) 1.0 -100.0 80 2
assign (resid   63 and  name C    ) (resid   64 and  name N    )
       (resid   64 and  name CA   ) (resid   64 and  name C    ) 1.0 -100.0 80 2

remarks: PSI CONSTRAINTS

remarks:  HELIX

assign (resid   24 and  name N    ) (resid   24 and  name CA   ) 
       (resid   24 and  name C    ) (resid   25 and  name N    ) 1.0 -47.0 30 2
assign (resid   25 and  name N    ) (resid   25 and  name CA   ) 
       (resid   25 and  name C    ) (resid   26 and  name N    ) 1.0 -47.0 30 2
assign (resid   26 and  name N    ) (resid   26 and  name CA   ) 
       (resid   26 and  name C    ) (resid   27 and  name N    ) 1.0 -47.0 30 2
assign (resid   27 and  name N    ) (resid   27 and  name CA   ) 
       (resid   27 and  name C    ) (resid   28 and  name N    ) 1.0 -47.0 30 2
assign (resid   28 and  name N    ) (resid   28 and  name CA   ) 
       (resid   28 and  name C    ) (resid   29 and  name N    ) 1.0 -47.0 30 2
assign (resid   29 and  name N    ) (resid   29 and  name CA   ) 
       (resid   29 and  name C    ) (resid   30 and  name N    ) 1.0 -47.0 30 2
assign (resid   30 and  name N    ) (resid   30 and  name CA   ) 
       (resid   30 and  name C    ) (resid   31 and  name N    ) 1.0 -47.0 30 2
assign (resid   31 and  name N    ) (resid   31 and  name CA   ) 
       (resid   31 and  name C    ) (resid   32 and  name N    ) 1.0 -47.0 30 2
assign (resid   32 and  name N    ) (resid   32 and  name CA   ) 
       (resid   32 and  name C    ) (resid   33 and  name N    ) 1.0 -47.0 30 2
assign (resid   33 and  name N    ) (resid   33 and  name CA   ) 
       (resid   33 and  name C    ) (resid   34 and  name N    ) 1.0 -47.0 30 2
assign (resid   34 and  name N    ) (resid   34 and  name CA   ) 
       (resid   34 and  name C    ) (resid   35 and  name N    ) 1.0 -47.0 30 2
assign (resid   57 and  name N    ) (resid   57 and  name CA   ) 
       (resid   57 and  name C    ) (resid   58 and  name N    ) 1.0 -47.0 30 2
assign (resid   58 and  name N    ) (resid   58 and  name CA   ) 
       (resid   58 and  name C    ) (resid   59 and  name N    ) 1.0 -47.0 30 2
assign (resid   59 and  name N    ) (resid   59 and  name CA   ) 
       (resid   59 and  name C    ) (resid   60 and  name N    ) 1.0 -47.0 30 2
assign (resid   60 and  name N    ) (resid   60 and  name CA   ) 
       (resid   60 and  name C    ) (resid   61 and  name N    ) 1.0 -47.0 30 2

remarks: SHEET

assign (resid    3 and  name N    ) (resid    3 and  name CA   ) 
       (resid    3 and  name C    ) (resid    4 and  name N    ) 1.0  140.0 40 2
assign (resid    4 and  name N    ) (resid    4 and  name CA   ) 
       (resid    4 and  name C    ) (resid    5 and  name N    ) 1.0  140.0 40 2
assign (resid    5 and  name N    ) (resid    5 and  name CA   ) 
       (resid    5 and  name C    ) (resid    6 and  name N    ) 1.0  140.0 40 2
assign (resid    6 and  name N    ) (resid    6 and  name CA   ) 
       (resid    6 and  name C    ) (resid    7 and  name N    ) 1.0  140.0 40 2
assign (resid    7 and  name N    ) (resid    7 and  name CA   ) 
       (resid    7 and  name C    ) (resid    8 and  name N    ) 1.0  140.0 40 2
assign (resid   13 and  name N    ) (resid   13 and  name CA   ) 
       (resid   13 and  name C    ) (resid   14 and  name N    ) 1.0  140.0 40 2
assign (resid   14 and  name N    ) (resid   14 and  name CA   ) 
       (resid   14 and  name C    ) (resid   15 and  name N    ) 1.0  140.0 40 2
assign (resid   15 and  name N    ) (resid   15 and  name CA   ) 
       (resid   15 and  name C    ) (resid   16 and  name N    ) 1.0  140.0 40 2
assign (resid   16 and  name N    ) (resid   16 and  name CA   ) 
       (resid   16 and  name C    ) (resid   17 and  name N    ) 1.0  140.0 40 2
assign (resid   17 and  name N    ) (resid   17 and  name CA   ) 
       (resid   17 and  name C    ) (resid   18 and  name N    ) 1.0  140.0 40 2
assign (resid   42 and  name N    ) (resid   42 and  name CA   ) 
       (resid   42 and  name C    ) (resid   43 and  name N    ) 1.0  140.0 40 2
assign (resid   43 and  name N    ) (resid   43 and  name CA   ) 
       (resid   43 and  name C    ) (resid   44 and  name N    ) 1.0  140.0 40 2
assign (resid   44 and  name N    ) (resid   44 and  name CA   ) 
       (resid   44 and  name C    ) (resid   45 and  name N    ) 1.0  140.0 40 2
assign (resid   45 and  name N    ) (resid   45 and  name CA   ) 
       (resid   45 and  name C    ) (resid   46 and  name N    ) 1.0  140.0 40 2
assign (resid   49 and  name N    ) (resid   49 and  name CA   ) 
       (resid   49 and  name C    ) (resid   50 and  name N    ) 1.0  140.0 40 2
assign (resid   67 and  name N    ) (resid   67 and  name CA   ) 
       (resid   67 and  name C    ) (resid   68 and  name N    ) 1.0  140.0 40 2
assign (resid   68 and  name N    ) (resid   68 and  name CA   ) 
       (resid   68 and  name C    ) (resid   69 and  name N    ) 1.0  140.0 40 2
assign (resid   69 and  name N    ) (resid   69 and  name CA   ) 
       (resid   69 and  name C    ) (resid   70 and  name N    ) 1.0  140.0 40 2
assign (resid   70 and  name N    ) (resid   70 and  name CA   ) 
       (resid   70 and  name C    ) (resid   71 and  name N    ) 1.0  140.0 40 2
assign (resid   71 and  name N    ) (resid   71 and  name CA   ) 
       (resid   71 and  name C    ) (resid   72 and  name N    ) 1.0  140.0 40 2
assign (resid   72 and  name N    ) (resid   72 and  name CA   ) 
       (resid   72 and  name C    ) (resid   73 and  name N    ) 1.0  140.0 40 2

remarks: table of NOE cnd hydrogen bond constraints

remarks  H-bond constraints (slow exchangers only)
assign (resid    2 and  name HN   )(resid   18 and  name O    ) 1.8 0.0 0.5
assign (resid    2 and  name N    )(resid   18 and  name O    ) 2.8 0.0 0.5
assign (resid    4 and  name HN   )(resid   16 and  name O    ) 1.8 0.0 0.5
assign (resid    4 and  name N    )(resid   16 and  name O    ) 2.8 0.0 0.5
assign (resid    5 and  name HN   )(resid   66 and  name O    ) 1.8 0.0 0.5
assign (resid    5 and  name N    )(resid   66 and  name O    ) 2.8 0.0 0.5
assign (resid    6 and  name HN   )(resid   14 and  name O    ) 1.8 0.0 0.5
assign (resid    6 and  name N    )(resid   14 and  name O    ) 2.8 0.0 0.5
assign (resid    7 and  name HN   )(resid   68 and  name O    ) 1.8 0.0 0.5
assign (resid    7 and  name N    )(resid   68 and  name O    ) 2.8 0.0 0.5
assign (resid   14 and  name HN   )(resid    6 and  name O    ) 1.8 0.0 0.5
assign (resid   14 and  name N    )(resid    6 and  name O    ) 2.8 0.0 0.5
assign (resid   16 and  name HN   )(resid    4 and  name O    ) 1.8 0.0 0.5
assign (resid   16 and  name N    )(resid    4 and  name O    ) 2.8 0.0 0.5
assign (resid   18 and  name HN   )(resid    2 and  name O    ) 1.8 0.0 0.5
assign (resid   18 and  name N    )(resid    2 and  name O    ) 2.8 0.0 0.5
assign (resid   22 and  name HN   )(resid   19 and  name O    ) 1.8 0.0 0.5
assign (resid   22 and  name N    )(resid   19 and  name O    ) 2.8 0.0 0.5
assign (resid   24 and  name HN   )(resid   55 and  name O    ) 1.8 0.0 0.5
assign (resid   24 and  name N    )(resid   55 and  name O    ) 2.8 0.0 0.5
assign (resid   27 and  name HN   )(resid   23 and  name O    ) 1.8 0.0 0.5
assign (resid   27 and  name N    )(resid   23 and  name O    ) 2.8 0.0 0.5
assign (resid   28 and  name HN   )(resid   24 and  name O    ) 1.8 0.0 0.5
assign (resid   28 and  name N    )(resid   24 and  name O    ) 2.8 0.0 0.5
assign (resid   29 and  name HN   )(resid   25 and  name O    ) 1.8 0.0 0.5
assign (resid   29 and  name N    )(resid   25 and  name O    ) 2.8 0.0 0.5
assign (resid   30 and  name HN   )(resid   26 and  name O    ) 1.8 0.0 0.5
assign (resid   30 and  name N    )(resid   26 and  name O    ) 2.8 0.0 0.5
assign (resid   31 and  name HN   )(resid   27 and  name O    ) 1.8 0.0 0.5
assign (resid   31 and  name N    )(resid   27 and  name O    ) 2.8 0.0 0.5
assign (resid   32 and  name HN   )(resid   28 and  name O    ) 1.8 0.0 0.5
assign (resid   32 and  name N    )(resid   28 and  name O    ) 2.8 0.0 0.5
assign (resid   34 and  name HN   )(resid   31 and  name O    ) 1.8 0.0 0.5
assign (resid   34 and  name N    )(resid   31 and  name O    ) 2.8 0.0 0.5
assign (resid   35 and  name HN   )(resid   31 and  name O    ) 1.8 0.0 0.5
assign (resid   35 and  name N    )(resid   31 and  name O    ) 2.8 0.0 0.5
assign (resid   43 and  name HN   )(resid   71 and  name O    ) 1.8 0.0 0.5
assign (resid   43 and  name N    )(resid   71 and  name O    ) 2.8 0.0 0.5
assign (resid   45 and  name HN   )(resid   69 and  name O    ) 1.8 0.0 0.5
assign (resid   45 and  name N    )(resid   69 and  name O    ) 2.8 0.0 0.5
assign (resid   46 and  name HN   )(resid   49 and  name O    ) 1.8 0.0 0.5
assign (resid   46 and  name N    )(resid   49 and  name O    ) 2.8 0.0 0.5
assign (resid   51 and  name HN   )(resid   44 and  name O    ) 1.8 0.0 0.5
assign (resid   51 and  name N    )(resid   44 and  name O    ) 2.8 0.0 0.5
assign (resid   55 and  name HN   )(resid   52 and  name O    ) 1.8 0.0 0.5
assign (resid   55 and  name N    )(resid   52 and  name O    ) 2.8 0.0 0.5
assign (resid   57 and  name HN   )(resid   22 and  name O    ) 1.8 0.0 0.5
assign (resid   57 and  name N    )(resid   22 and  name O    ) 2.8 0.0 0.5
assign (resid   58 and  name HN   )(resid   20 and  name O    ) 1.8 0.0 0.5
assign (resid   58 and  name N    )(resid   20 and  name O    ) 2.8 0.0 0.5
assign (resid   59 and  name HN   )(resid   56 and  name O    ) 1.8 0.0 0.5
assign (resid   59 and  name N    )(resid   56 and  name O    ) 2.8 0.0 0.5
assign (resid   68 and  name HN   )(resid    5 and  name O    ) 1.8 0.0 0.5
assign (resid   68 and  name N    )(resid    5 and  name O    ) 2.8 0.0 0.5
assign (resid   69 and  name HN   )(resid   45 and  name O    ) 1.8 0.0 0.5
assign (resid   69 and  name N    )(resid   45 and  name O    ) 2.8 0.0 0.5
assign (resid   71 and  name HN   )(resid   43 and  name O    ) 1.8 0.0 0.5
assign (resid   71 and  name N    )(resid   43 and  name O    ) 2.8 0.0 0.5

remarks  Ni-Ni+1
! strong 0.7 (2.5 A), medium, 1.7 (3.5 A), weak 3.2 (5.0 A)
assign (resid    2 and  name HN   )(resid    3 and  name HN   ) 1.8 0.0 3.2
assign (resid    4 and  name HN   )(resid    5 and  name HN   ) 1.8 0.0 3.2
assign (resid    5 and  name HN   )(resid    6 and  name HN   ) 1.8 0.0 3.2
assign (resid    6 and  name HN   )(resid    7 and  name HN   ) 1.8 0.0 3.2
assign (resid    7 and  name HN   )(resid    8 and  name HN   ) 1.8 0.0 3.2
assign (resid   10 and  name HN   )(resid   11 and  name HN   ) 1.8 0.0 4.2
assign (resid   11 and  name HN   )(resid   12 and  name HN   ) 1.8 0.0 3.2
assign (resid   12 and  name HN   )(resid   13 and  name HN   ) 1.8 0.0 3.2
assign (resid   13 and  name HN   )(resid   14 and  name HN   ) 1.8 0.0 3.2
assign (resid   14 and  name HN   )(resid   15 and  name HN   ) 1.8 0.0 3.2
assign (resid   15 and  name HN   )(resid   16 and  name HN   ) 1.8 0.0 3.2
assign (resid   16 and  name HN   )(resid   17 and  name HN   ) 1.8 0.0 3.2
assign (resid   17 and  name HN   )(resid   18 and  name HN   ) 1.8 0.0 3.2
assign (resid   18 and  name HN   )(resid   19 and  name HN   ) 1.8 0.0 3.2
assign (resid   19 and  name HN   )(resid   20 and  name HN   ) 1.8 0.0 3.2
assign (resid   20 and  name HN   )(resid   21 and  name HN   ) 1.8 0.0 1.7
assign (resid   21 and  name HN   )(resid   22 and  name HN   ) 1.8 0.0 1.7
assign (resid   22 and  name HN   )(resid   23 and  name HN   ) 1.8 0.0 3.2
assign (resid   23 and  name HN   )(resid   24 and  name HN   ) 1.8 0.0 3.2
assign (resid   24 and  name HN   )(resid   25 and  name HN   ) 1.8 0.0 3.2
assign (resid   25 and  name HN   )(resid   26 and  name HN   ) 1.8 0.0 1.7
assign (resid   26 and  name HN   )(resid   27 and  name HN   ) 1.8 0.0 1.7
assign (resid   27 and  name HN   )(resid   28 and  name HN   ) 1.8 0.0 1.7
assign (resid   28 and  name HN   )(resid   29 and  name HN   ) 1.8 0.0 1.7
assign (resid   29 and  name HN   )(resid   30 and  name HN   ) 1.8 0.0 1.7
assign (resid   30 and  name HN   )(resid   31 and  name HN   ) 1.8 0.0 1.7
assign (resid   31 and  name HN   )(resid   32 and  name HN   ) 1.8 0.0 1.7
assign (resid   32 and  name HN   )(resid   33 and  name HN   ) 1.8 0.0 1.7
assign (resid   33 and  name HN   )(resid   34 and  name HN   ) 1.8 0.0 1.7
assign (resid   34 and  name HN   )(resid   35 and  name HN   ) 1.8 0.0 1.7
assign (resid   35 and  name HN   )(resid   36 and  name HN   ) 1.8 0.0 3.2
assign (resid   36 and  name HN   )(resid   37 and  name HN   ) 1.8 0.0 3.2
assign (resid   40 and  name HN   )(resid   41 and  name HN   ) 1.8 0.0 3.2
assign (resid   41 and  name HN   )(resid   42 and  name HN   ) 1.8 0.0 0.7
assign (resid   42 and  name HN   )(resid   43 and  name HN   ) 1.8 0.0 3.2
assign (resid   43 and  name HN   )(resid   44 and  name HN   ) 1.8 0.0 3.2
assign (resid   44 and  name HN   )(resid   45 and  name HN   ) 1.8 0.0 3.2
assign (resid   45 and  name HN   )(resid   46 and  name HN   ) 1.8 0.0 3.2
assign (resid   49 and  name HN   )(resid   50 and  name HN   ) 1.8 0.0 3.2
assign (resid   50 and  name HN   )(resid   51 and  name HN   ) 1.8 0.0 3.2
assign (resid   51 and  name HN   )(resid   52 and  name HN   ) 1.8 0.0 3.2
assign (resid   52 and  name HN   )(resid   53 and  name HN   ) 1.8 0.0 3.2
assign (resid   53 and  name HN   )(resid   54 and  name HN   ) 1.8 0.0 3.2
assign (resid   54 and  name HN   )(resid   55 and  name HN   ) 1.8 0.0 1.7
assign (resid   55 and  name HN   )(resid   56 and  name HN   ) 1.8 0.0 3.2
assign (resid   57 and  name HN   )(resid   58 and  name HN   ) 1.8 0.0 1.7
assign (resid   58 and  name HN   )(resid   59 and  name HN   ) 1.8 0.0 1.7
assign (resid   59 and  name HN   )(resid   60 and  name HN   ) 1.8 0.0 1.7
assign (resid   60 and  name HN   )(resid   61 and  name HN   ) 1.8 0.0 1.7
assign (resid   61 and  name HN   )(resid   62 and  name HN   ) 1.8 0.0 1.7
assign (resid   62 and  name HN   )(resid   63 and  name HN   ) 1.8 0.0 3.2
assign (resid   63 and  name HN   )(resid   64 and  name HN   ) 1.8 0.0 3.2
assign (resid   64 and  name HN   )(resid   65 and  name HN   ) 1.8 0.0 3.2
assign (resid   65 and  name HN   )(resid   66 and  name HN   ) 1.8 0.0 1.7
assign (resid   66 and  name HN   )(resid   67 and  name HN   ) 1.8 0.0 3.2
assign (resid   67 and  name HN   )(resid   68 and  name HN   ) 1.8 0.0 3.2
assign (resid   69 and  name HN   )(resid   70 and  name HN   ) 1.8 0.0 3.2
assign (resid   70 and  name HN   )(resid   71 and  name HN   ) 1.8 0.0 3.2
assign (resid   71 and  name HN   )(resid   72 and  name HN   ) 1.8 0.0 3.2
assign (resid   72 and  name HN   )(resid   73 and  name HN   ) 1.8 0.0 3.2

remarks  Ni-Ni+2
! Medium range HN, use 2.2 (3.2 if weak)
assign (resid   10 and  name HN   )(resid   12 and  name HN   ) 1.8 0.0 3.2
assign (resid   19 and  name HN   )(resid   21 and  name HN   ) 1.8 0.0 3.2
assign (resid   20 and  name HN   )(resid   22 and  name HN   ) 1.8 0.0 3.2
assign (resid   24 and  name HN   )(resid   26 and  name HN   ) 1.8 0.0 3.2
assign (resid   25 and  name HN   )(resid   27 and  name HN   ) 1.8 0.0 3.2
assign (resid   26 and  name HN   )(resid   28 and  name HN   ) 1.8 0.0 3.2
assign (resid   27 and  name HN   )(resid   29 and  name HN   ) 1.8 0.0 3.2
assign (resid   28 and  name HN   )(resid   30 and  name HN   ) 1.8 0.0 3.2
assign (resid   29 and  name HN   )(resid   31 and  name HN   ) 1.8 0.0 3.2
assign (resid   30 and  name HN   )(resid   32 and  name HN   ) 1.8 0.0 3.2
assign (resid   31 and  name HN   )(resid   33 and  name HN   ) 1.8 0.0 3.2
assign (resid   32 and  name HN   )(resid   34 and  name HN   ) 1.8 0.0 3.2
assign (resid   33 and  name HN   )(resid   35 and  name HN   ) 1.8 0.0 3.2
assign (resid   34 and  name HN   )(resid   36 and  name HN   ) 1.8 0.0 4.2
assign (resid   53 and  name HN   )(resid   55 and  name HN   ) 1.8 0.0 3.2
assign (resid   57 and  name HN   )(resid   59 and  name HN   ) 1.8 0.0 3.2
assign (resid   58 and  name HN   )(resid   60 and  name HN   ) 1.8 0.0 3.2
assign (resid   59 and  name HN   )(resid   61 and  name HN   ) 1.8 0.0 3.2

remarks  Ni-Ni+3
! Medium range HN, use 2.2 (3.2 if weak)
assign (resid   19 and  name HN   )(resid   22 and  name HN   ) 1.8 0.0 3.2
assign (resid   23 and  name HN   )(resid   26 and  name HN   ) 1.8 0.0 2.2
assign (resid   26 and  name HN   )(resid   29 and  name HN   ) 1.8 0.0 3.2
assign (resid   29 and  name HN   )(resid   32 and  name HN   ) 1.8 0.0 3.2
assign (resid   32 and  name HN   )(resid   35 and  name HN   ) 1.8 0.0 3.2
assign (resid   46 and  name HN   )(resid   49 and  name HN   ) 1.8 0.0 3.2
assign (resid   56 and  name HN   )(resid   59 and  name HN   ) 1.8 0.0 3.2
assign (resid   63 and  name HN   )(resid   66 and  name HN   ) 1.8 0.0 3.2

remarks  aiNi+1
! strong 0.7 (2.5 A), medium, 1.7 (3.5 A), weak 3.2 (5.0 A)
assign (resid    2 and  name HA   )(resid    3 and  name HN   ) 1.8 0.0 0.7
assign (resid    3 and  name HA   )(resid    4 and  name HN   ) 1.8 0.0 1.7
assign (resid    4 and  name HA   )(resid    5 and  name HN   ) 1.8 0.0 1.7
assign (resid    5 and  name HA   )(resid    6 and  name HN   ) 1.8 0.0 1.7
assign (resid    6 and  name HA   )(resid    7 and  name HN   ) 1.8 0.0 0.7
assign (resid    7 and  name HA   )(resid    8 and  name HN   ) 1.8 0.0 0.7
assign (resid    8 and  name HA   )(resid    9 and  name HN   ) 1.8 0.0 3.2
assign (resid    9 and  name HA   )(resid   10 and  name HN   ) 1.8 0.0 3.2
assign (resid   10 and  name HA   )(resid   11 and  name HN   ) 1.8 0.0 3.2
assign (resid   11 and  name HA*  )(resid   12 and  name HN   ) 1.8 0.0 4.2
assign (resid   12 and  name HA   )(resid   13 and  name HN   ) 1.8 0.0 0.7
assign (resid   13 and  name HA   )(resid   14 and  name HN   ) 1.8 0.0 0.7
assign (resid   14 and  name HA   )(resid   15 and  name HN   ) 1.8 0.0 0.7
assign (resid   15 and  name HA   )(resid   16 and  name HN   ) 1.8 0.0 0.7
assign (resid   16 and  name HA   )(resid   17 and  name HN   ) 1.8 0.0 0.7
assign (resid   17 and  name HA   )(resid   18 and  name HN   ) 1.8 0.0 0.7
assign (resid   18 and  name HA   )(resid   19 and  name HN   ) 1.8 0.0 1.7
assign (resid   21 and  name HA   )(resid   22 and  name HN   ) 1.8 0.0 1.7
assign (resid   22 and  name HA   )(resid   23 and  name HN   ) 1.8 0.0 1.7
assign (resid   23 and  name HA   )(resid   24 and  name HN   ) 1.8 0.0 1.7
assign (resid   24 and  name HA   )(resid   25 and  name HN   ) 1.8 0.0 3.2
assign (resid   25 and  name HA*  )(resid   26 and  name HN   ) 1.8 0.0 2.7
assign (resid   26 and  name HA   )(resid   27 and  name HN   ) 1.8 0.0 3.2
assign (resid   27 and  name HA   )(resid   28 and  name HN   ) 1.8 0.0 3.2
assign (resid   28 and  name HA   )(resid   29 and  name HN   ) 1.8 0.0 2.2
assign (resid   29 and  name HA   )(resid   30 and  name HN   ) 1.8 0.0 2.2
assign (resid   31 and  name HA   )(resid   32 and  name HN   ) 1.8 0.0 2.2
assign (resid   32 and  name HA   )(resid   33 and  name HN   ) 1.8 0.0 3.2
assign (resid   35 and  name HA   )(resid   36 and  name HN   ) 1.8 0.0 3.2
assign (resid   36 and  name HA*  )(resid   37 and  name HN   ) 1.8 0.0 4.2
assign (resid   37 and  name HA   )(resid   38 and  name HN   ) 1.8 0.0 3.2
assign (resid   40 and  name HA   )(resid   41 and  name HN   ) 1.8 0.0 3.2
assign (resid   41 and  name HA   )(resid   42 and  name HN   ) 1.8 0.0 1.7
assign (resid   42 and  name HA   )(resid   43 and  name HN   ) 1.8 0.0 0.7
assign (resid   43 and  name HA   )(resid   44 and  name HN   ) 1.8 0.0 0.7
assign (resid   44 and  name HA   )(resid   45 and  name HN   ) 1.8 0.0 0.7
assign (resid   45 and  name HA   )(resid   46 and  name HN   ) 1.8 0.0 0.7
assign (resid   48 and  name HA*  )(resid   49 and  name HN   ) 1.8 0.0 2.7
assign (resid   49 and  name HA   )(resid   50 and  name HN   ) 1.8 0.0 2.7
assign (resid   51 and  name HA   )(resid   52 and  name HN   ) 1.8 0.0 0.7
assign (resid   52 and  name HA   )(resid   53 and  name HN   ) 1.8 0.0 0.7
assign (resid   53 and  name HA   )(resid   54 and  name HN   ) 1.8 0.0 3.2
assign (resid   55 and  name HA   )(resid   56 and  name HN   ) 1.8 0.0 3.2
assign (resid   56 and  name HA   )(resid   57 and  name HN   ) 1.8 0.0 1.7
assign (resid   57 and  name HA   )(resid   58 and  name HN   ) 1.8 0.0 3.2
assign (resid   58 and  name HA   )(resid   59 and  name HN   ) 1.8 0.0 3.2
assign (resid   59 and  name HA   )(resid   60 and  name HN   ) 1.8 0.0 3.2
assign (resid   60 and  name HA   )(resid   61 and  name HN   ) 1.8 0.0 3.2
assign (resid   62 and  name HA   )(resid   63 and  name HN   ) 1.8 0.0 0.7
assign (resid   63 and  name HA   )(resid   64 and  name HN   ) 1.8 0.0 1.7
assign (resid   64 and  name HA   )(resid   65 and  name HN   ) 1.8 0.0 0.7
assign (resid   65 and  name HA   )(resid   66 and  name HN   ) 1.8 0.0 1.7
assign (resid   66 and  name HA   )(resid   67 and  name HN   ) 1.8 0.0 0.7
assign (resid   67 and  name HA   )(resid   68 and  name HN   ) 1.8 0.0 0.7
assign (resid   69 and  name HA   )(resid   70 and  name HN   ) 1.8 0.0 1.7
assign (resid   70 and  name HA   )(resid   71 and  name HN   ) 1.8 0.0 0.7
assign (resid   71 and  name HA   )(resid   72 and  name HN   ) 1.8 0.0 0.7

remarks  aiNi-1
! strong 0.7 (2.5 A), medium, 1.7 (3.5 A), weak 3.2 (5.0 A)
assign (resid    3 and  name HA   )(resid    2 and  name HN   ) 1.8 0.0 3.2
assign (resid   11 and  name HA*  )(resid   10 and  name HN   ) 1.8 0.0 4.2
assign (resid   17 and  name HA   )(resid   16 and  name HN   ) 1.8 0.0 3.2
assign (resid   22 and  name HA   )(resid   21 and  name HN   ) 1.8 0.0 3.2
assign (resid   61 and  name HA   )(resid   60 and  name HN   ) 1.8 0.0 3.2

remarks ai-di+1, Ni-di+1, Ni-Di-1 (proline)
assign (resid   38 and  name HA   )(resid   39 and  name HD*  ) 1.8 0.0 3.2


remarks  aiNi+2 
assign (resid   19 and  name HA   )(resid   21 and  name HN   ) 1.8 0.0 3.2
assign (resid   20 and  name HA   )(resid   22 and  name HN   ) 1.8 0.0 2.2
assign (resid   23 and  name HA   )(resid   25 and  name HN   ) 1.8 0.0 3.2
assign (resid   25 and  name HA*  )(resid   27 and  name HN   ) 1.8 0.0 4.2
assign (resid   26 and  name HA   )(resid   28 and  name HN   ) 1.8 0.0 3.2
assign (resid   27 and  name HA   )(resid   29 and  name HN   ) 1.8 0.0 3.2
assign (resid   29 and  name HA   )(resid   31 and  name HN   ) 1.8 0.0 3.2
assign (resid   32 and  name HA   )(resid   34 and  name HN   ) 1.8 0.0 3.2
assign (resid   39 and  name HA   )(resid   41 and  name HN   ) 1.8 0.0 3.2
assign (resid   52 and  name HA   )(resid   54 and  name HN   ) 1.8 0.0 3.2
assign (resid   53 and  name HA   )(resid   55 and  name HN   ) 1.8 0.0 3.2
assign (resid   56 and  name HA   )(resid   58 and  name HN   ) 1.8 0.0 3.2
assign (resid   57 and  name HA   )(resid   59 and  name HN   ) 1.8 0.0 3.2
assign (resid   58 and  name HA   )(resid   60 and  name HN   ) 1.8 0.0 3.2
assign (resid   59 and  name HA   )(resid   61 and  name HN   ) 1.8 0.0 2.2
assign (resid   64 and  name HA   )(resid   66 and  name HN   ) 1.8 0.0 2.2

remarks  aiNi+3
assign (resid   19 and  name HA   )(resid   22 and  name HN   ) 1.8 0.0 3.2
assign (resid   24 and  name HA   )(resid   27 and  name HN   ) 1.8 0.0 3.2
assign (resid   25 and  name HA*  )(resid   28 and  name HN   ) 1.8 0.0 4.2
assign (resid   26 and  name HA   )(resid   29 and  name HN   ) 1.8 0.0 2.2
assign (resid   27 and  name HA   )(resid   30 and  name HN   ) 1.8 0.0 2.2
assign (resid   30 and  name HA   )(resid   33 and  name HN   ) 1.8 0.0 2.2
assign (resid   31 and  name HA   )(resid   34 and  name HN   ) 1.8 0.0 2.2
assign (resid   32 and  name HA   )(resid   35 and  name HN   ) 1.8 0.0 3.2
assign (resid   33 and  name HA   )(resid   36 and  name HN   ) 1.8 0.0 3.2
assign (resid   39 and  name HA   )(resid   42 and  name HN   ) 1.8 0.0 3.2
assign (resid   57 and  name HA   )(resid   60 and  name HN   ) 1.8 0.0 3.2
assign (resid   58 and  name HA   )(resid   61 and  name HN   ) 1.8 0.0 2.2

remarks  aiNi+4
assign (resid   25 and  name HA*  )(resid   29 and  name HN   ) 1.8 0.0 4.2
assign (resid   26 and  name HA   )(resid   30 and  name HN   ) 1.8 0.0 3.2
assign (resid   27 and  name HA   )(resid   31 and  name HN   ) 1.8 0.0 3.2
assign (resid   31 and  name HA   )(resid   35 and  name HN   ) 1.8 0.0 3.2
assign (resid   45 and  name HA   )(resid   49 and  name HN   ) 1.8 0.0 3.2
assign (resid   58 and  name HA   )(resid   62 and  name HN   ) 1.8 0.0 2.2

remarks  BiNi+1
! strong 0.7 (2.5 A), medium, 1.7 (3.5 A), weak 3.2 (5.0 A) +1 for HB*
assign (resid    2 and  name HN   )(resid    1 and  name HB*  ) 1.8 0.0 4.2
assign (resid    3 and  name HN   )(resid    2 and  name HB   ) 1.8 0.0 0.7
assign (resid    5 and  name HN   )(resid    4 and  name HB   ) 1.8 0.0 1.7
assign (resid    8 and  name HN   )(resid    7 and  name HB*  ) 1.8 0.0 4.2
assign (resid    9 and  name HN   )(resid    8 and  name HB*  ) 1.8 0.0 4.2
assign (resid   11 and  name HN   )(resid   10 and  name HB*  ) 1.8 0.0 4.2
assign (resid   19 and  name HN   )(resid   18 and  name HB*  ) 1.8 0.0 1.7
assign (resid   23 and  name HN   )(resid   22 and  name HB*  ) 1.8 0.0 2.7
assign (resid   24 and  name HN   )(resid   23 and  name HB*  ) 1.8 0.0 2.7
assign (resid   25 and  name HN   )(resid   24 and  name HB   ) 1.8 0.0 1.7
assign (resid   27 and  name HN   )(resid   26 and  name HB*  ) 1.8 0.0 2.7
assign (resid   28 and  name HN   )(resid   27 and  name HB*  ) 1.8 0.0 2.7
assign (resid   29 and  name HN   )(resid   28 and  name HB*  ) 1.8 0.0 2.7
assign (resid   30 and  name HN   )(resid   29 and  name HB*  ) 1.8 0.0 2.7
assign (resid   31 and  name HN   )(resid   30 and  name HB   ) 1.8 0.0 1.7
assign (resid   32 and  name HN   )(resid   31 and  name HB*  ) 1.8 0.0 2.7
assign (resid   33 and  name HN   )(resid   32 and  name HB*  ) 1.8 0.0 4.2
assign (resid   36 and  name HN   )(resid   35 and  name HB   ) 1.8 0.0 3.2
assign (resid   38 and  name HN   )(resid   37 and  name HB   ) 1.8 0.0 3.2
assign (resid   41 and  name HN   )(resid   40 and  name HB*  ) 1.8 0.0 3.2
assign (resid   42 and  name HN   )(resid   41 and  name HB*  ) 1.8 0.0 4.2
assign (resid   44 and  name HN   )(resid   43 and  name HB   ) 1.8 0.0 3.2
assign (resid   45 and  name HN   )(resid   44 and  name HB*  ) 1.8 0.0 2.7
assign (resid   46 and  name HN   )(resid   45 and  name HB*  ) 1.8 0.0 4.2
assign (resid   50 and  name HN   )(resid   49 and  name HB*  ) 1.8 0.0 4.2
assign (resid   51 and  name HN   )(resid   50 and  name HB   ) 1.8 0.0 3.2
assign (resid   52 and  name HN   )(resid   51 and  name HB*  ) 1.8 0.0 3.2
assign (resid   53 and  name HN   )(resid   52 and  name HB*  ) 1.8 0.0 4.2
assign (resid   54 and  name HN   )(resid   53 and  name HB*  ) 1.8 0.0 2.7
assign (resid   55 and  name HN   )(resid   54 and  name HB*  ) 1.8 0.0 4.2
assign (resid   56 and  name HN   )(resid   55 and  name HB   ) 1.8 0.0 3.2
assign (resid   58 and  name HN   )(resid   57 and  name HB*  ) 1.8 0.0 3.2
assign (resid   59 and  name HN   )(resid   58 and  name HB*  ) 1.8 0.0 3.2
assign (resid   60 and  name HN   )(resid   59 and  name HB*  ) 1.8 0.0 4.2
assign (resid   61 and  name HN   )(resid   60 and  name HB*  ) 1.8 0.0 4.2

remarks gi-Ni+1, di-Ni+1
! Use 3.2, +1 for HG*, +2.4 for HG**, for strong use 2.2
assign (resid    3 and  name HN   )(resid    2 and  name HG2* ) 1.8 0.0 4.2
assign (resid    3 and  name HN   )(resid    2 and  name HD1* ) 1.8 0.0 4.2
assign (resid    5 and  name HN   )(resid    4 and  name HG*  ) 1.8 0.0 4.1
assign (resid   16 and  name HN   )(resid   15 and  name HG*  ) 1.8 0.0 4.2
assign (resid   16 and  name HN   )(resid   15 and  name HD*  ) 1.8 0.0 4.2
assign (resid   25 and  name HN   )(resid   24 and  name HG*  ) 1.8 0.0 4.1
assign (resid   28 and  name HN   )(resid   27 and  name HD*  ) 1.8 0.0 5.2
assign (resid   30 and  name HN   )(resid   29 and  name HG*  ) 1.8 0.0 4.2
assign (resid   31 and  name HN   )(resid   30 and  name HG*  ) 1.8 0.0 5.6
assign (resid   32 and  name HN   )(resid   31 and  name HG   ) 1.8 0.0 3.2
assign (resid   36 and  name HN   )(resid   35 and  name HG1* ) 1.8 0.0 4.2
assign (resid   38 and  name HN   )(resid   37 and  name HG2* ) 1.8 0.0 4.2
assign (resid   42 and  name HN   )(resid   41 and  name HG*  ) 1.8 0.0 4.2
assign (resid   43 and  name HN   )(resid   42 and  name HG1* ) 1.8 0.0 4.2
assign (resid   43 and  name HN   )(resid   42 and  name HG2* ) 1.8 0.0 4.2
assign (resid   44 and  name HN   )(resid   43 and  name HG*  ) 1.8 0.0 5.6
assign (resid   45 and  name HN   )(resid   44 and  name HG   ) 1.8 0.0 3.2
assign (resid   45 and  name HN   )(resid   44 and  name HD*  ) 1.8 0.0 5.6
assign (resid   46 and  name HN   )(resid   45 and  name HG*  ) 1.8 0.0 4.2
assign (resid   51 and  name HN   )(resid   50 and  name HG*  ) 1.8 0.0 5.6
assign (resid   52 and  name HN   )(resid   51 and  name HD*  ) 1.8 0.0 5.6
assign (resid   53 and  name HN   )(resid   52 and  name HG*  ) 1.8 0.0 4.2
assign (resid   58 and  name HN   )(resid   57 and  name HG   ) 1.8 0.0 3.2
assign (resid   58 and  name HN   )(resid   57 and  name HD*  ) 1.8 0.0 5.6
assign (resid   59 and  name HN   )(resid   58 and  name HG*  ) 1.8 0.0 3.2

remarks  (bgd)iNi-1
assign (resid   3 and  name HN   )(resid    4 and  name HG*   ) 1.8 0.0 5.6
assign (resid   4 and  name HN   )(resid    5 and  name HG*   ) 1.8 0.0 5.6
assign (resid   5 and  name HN   )(resid    6 and  name HG*   ) 1.8 0.0 5.6
assign (resid  13 and  name HN   )(resid   14 and  name HG*   ) 1.8 0.0 5.6
assign (resid  15 and  name HN   )(resid   16 and  name HB    ) 1.8 0.0 3.2
assign (resid  15 and  name HN   )(resid   16 and  name HG*   ) 1.8 0.0 5.6
assign (resid  16 and  name HN   )(resid   17 and  name HB*   ) 1.8 0.0 4.2
assign (resid  20 and  name HN   )(resid   21 and  name HG*   ) 1.8 0.0 5.6
assign (resid  25 and  name HN   )(resid   26 and  name HB*   ) 1.8 0.0 4.2
assign (resid  26 and  name HN   )(resid   27 and  name HB*   ) 1.8 0.0 4.2
assign (resid  27 and  name HN   )(resid   28 and  name HB*   ) 1.8 0.0 4.2
assign (resid  27 and  name HN   )(resid   28 and  name HG*   ) 1.8 0.0 4.2
assign (resid  29 and  name HN   )(resid   30 and  name HG*   ) 1.8 0.0 5.6
assign (resid  30 and  name HN   )(resid   31 and  name HB*   ) 1.8 0.0 4.2
assign (resid  30 and  name HN   )(resid   31 and  name HD*   ) 1.8 0.0 5.6
assign (resid  33 and  name HN   )(resid   34 and  name HB*   ) 1.8 0.0 4.2
assign (resid  33 and  name HN   )(resid   34 and  name HG*   ) 1.8 0.0 4.2
assign (resid  34 and  name HN   )(resid   35 and  name HG1*  ) 1.8 0.0 4.2
assign (resid  37 and  name HN   )(resid   38 and  name HB*   ) 1.8 0.0 4.2
assign (resid  41 and  name HN   )(resid   42 and  name HG1*  ) 1.8 0.0 4.2
assign (resid  42 and  name HN   )(resid   43 and  name HG*   ) 1.8 0.0 5.6
assign (resid  54 and  name HN   )(resid   55 and  name HB    ) 1.8 0.0 3.2
assign (resid  54 and  name HN   )(resid   55 and  name HG1*  ) 1.8 0.0 4.2
assign (resid  58 and  name HN   )(resid   59 and  name HB*   ) 1.8 0.0 4.2
assign (resid  61 and  name HN   )(resid   62 and  name HB    ) 1.8 0.0 3.2
assign (resid  61 and  name HN   )(resid   62 and  name HG*   ) 1.8 0.0 5.6
assign (resid  65 and  name HN   )(resid   66 and  name HB    ) 1.8 0.0 3.2

remarks bi-Ni+2, gi-Ni+2, di-Ni+2
! Medium, side chain use 3.2
! Use 3.2, +1 for HG*, +2.4 for HG**, for strong use 2.2
assign (resid   21 and  name HN   )(resid   19 and  name HD*  ) 1.8 0.0 5.6
assign (resid   21 and  name HN   )(resid   19 and  name HB*  ) 1.8 0.0 4.2
assign (resid   22 and  name HN   )(resid   20 and  name HB*  ) 1.8 0.0 4.2
assign (resid   25 and  name HN   )(resid   23 and  name HB*  ) 1.8 0.0 4.2
assign (resid   26 and  name HN   )(resid   24 and  name HG*  ) 1.8 0.0 5.6
assign (resid   37 and  name HN   )(resid   35 and  name HB   ) 1.8 0.0 3.2
assign (resid   37 and  name HN   )(resid   35 and  name HG1* ) 1.8 0.0 4.2
assign (resid   54 and  name HN   )(resid   52 and  name HB*  ) 1.8 0.0 4.2
assign (resid   58 and  name HN   )(resid   56 and  name HB*  ) 1.8 0.0 4.2
assign (resid   62 and  name HN   )(resid   60 and  name HB*  ) 1.8 0.0 4.2
assign (resid   68 and  name HN   )(resid   66 and  name HG2* ) 1.8 0.0 4.2

remarks ai-bi+3
! Medium, side chain, use 3.2
assign (resid   24 and  name HA   )(resid   27 and  name HB*   ) 1.8 0.0 4.2
assign (resid   26 and  name HA   )(resid   29 and  name HB*   ) 1.8 0.0 4.2
assign (resid   27 and  name HA   )(resid   30 and  name HB    ) 1.8 0.0 3.2
assign (resid   28 and  name HA   )(resid   31 and  name HB*   ) 1.8 0.0 4.2
assign (resid   30 and  name HA   )(resid   33 and  name HB*   ) 1.8 0.0 4.2
assign (resid   31 and  name HA   )(resid   34 and  name HB*   ) 1.8 0.0 4.2

remarks ai-gi+3, ai-di+3
assign (resid   26 and  name HA   )(resid   29 and  name HG*   ) 1.8 0.0 4.2
assign (resid   26 and  name HA   )(resid   29 and  name HD*   ) 1.8 0.0 4.2
assign (resid   27 and  name HA   )(resid   30 and  name HG2*  ) 1.8 0.0 4.2
assign (resid   28 and  name HA   )(resid   31 and  name HG    ) 1.8 0.0 3.2
assign (resid   28 and  name HA   )(resid   31 and  name HD2*  ) 1.8 0.0 4.2
assign (resid   30 and  name HA   )(resid   33 and  name HG    ) 1.8 0.0 3.2

remarks  long range NN
! Long range HN, use 2.2 (3.2 if weak)
assign (resid   2 and  name HN   )(resid   18 and  name HN   ) 1.8 0.0 2.2
assign (resid   3 and  name HN   )(resid   65 and  name HN   ) 1.8 0.0 2.2
assign (resid   4 and  name HN   )(resid   16 and  name HN   ) 1.8 0.0 2.2
assign (resid   4 and  name HN   )(resid   18 and  name HN   ) 1.8 0.0 3.2
assign (resid   5 and  name HN   )(resid   68 and  name HN   ) 1.8 0.0 2.2
assign (resid   6 and  name HN   )(resid   14 and  name HN   ) 1.8 0.0 2.2
assign (resid   7 and  name HN   )(resid   68 and  name HN   ) 1.8 0.0 3.2
assign (resid   7 and  name HN   )(resid   70 and  name HN   ) 1.8 0.0 3.2
assign (resid   8 and  name HN   )(resid   12 and  name HN   ) 1.8 0.0 3.2
assign (resid  22 and  name HN   )(resid   57 and  name HN   ) 1.8 0.0 3.2
assign (resid  23 and  name HN   )(resid   27 and  name HN   ) 1.8 0.0 3.2
assign (resid  24 and  name HN   )(resid   55 and  name HN   ) 1.8 0.0 3.2
assign (resid  25 and  name HN   )(resid   53 and  name HN   ) 1.8 0.0 3.2
assign (resid  25 and  name HN   )(resid   55 and  name HN   ) 1.8 0.0 3.2
assign (resid  43 and  name HN   )(resid   71 and  name HN   ) 1.8 0.0 3.2
assign (resid  43 and  name HN   )(resid   73 and  name HN   ) 1.8 0.0 3.2
assign (resid  45 and  name HN   )(resid   69 and  name HN   ) 1.8 0.0 2.2

remarks  long range a-N
! Long range HN, HA, use 2.2 (3.2 if weak)
assign (resid   2 and  name HA   )(resid  18 and  name HN   ) 1.8 0.0 3.2
assign (resid   3 and  name HA   )(resid  18 and  name HN   ) 1.8 0.0 2.2
assign (resid   3 and  name HA   )(resid  17 and  name HN   ) 1.8 0.0 3.2
assign (resid   4 and  name HA   )(resid  65 and  name HN   ) 1.8 0.0 3.2
assign (resid   5 and  name HA   )(resid  16 and  name HN   ) 1.8 0.0 2.2
assign (resid   6 and  name HA   )(resid  68 and  name HN   ) 1.8 0.0 2.2
assign (resid   6 and  name HA   )(resid  70 and  name HN   ) 1.8 0.0 3.2
assign (resid   7 and  name HA   )(resid  13 and  name HN   ) 1.8 0.0 3.2
assign (resid   7 and  name HA   )(resid  14 and  name HN   ) 1.8 0.0 3.2
assign (resid  13 and  name HA   )(resid   8 and  name HN   ) 1.8 0.0 2.2
assign (resid  13 and  name HA   )(resid   6 and  name HN   ) 1.8 0.0 3.2
assign (resid  13 and  name HA   )(resid   7 and  name HN   ) 1.8 0.0 3.2
assign (resid  17 and  name HA   )(resid   2 and  name HN   ) 1.8 0.0 3.2
assign (resid  19 and  name HA   )(resid   2 and  name HN   ) 1.8 0.0 3.2
assign (resid  17 and  name HA   )(resid   3 and  name HN   ) 1.8 0.0 3.2
assign (resid  17 and  name HA   )(resid   4 and  name HN   ) 1.8 0.0 2.2
assign (resid  21 and  name HA   )(resid  57 and  name HN   ) 1.8 0.0 3.2
assign (resid  21 and  name HA   )(resid  58 and  name HN   ) 1.8 0.0 3.2
assign (resid  23 and  name HA   )(resid  57 and  name HN   ) 1.8 0.0 3.2
assign (resid  41 and  name HA   )(resid  73 and  name HN   ) 1.8 0.0 3.2
assign (resid  42 and  name HA   )(resid  73 and  name HN   ) 1.8 0.0 3.2
assign (resid  44 and  name HA   )(resid  69 and  name HN   ) 1.8 0.0 3.2
assign (resid  44 and  name HA   )(resid  71 and  name HN   ) 1.8 0.0 2.2
assign (resid  45 and  name HA   )(resid  50 and  name HN   ) 1.8 0.0 3.2
assign (resid  45 and  name HA   )(resid  51 and  name HN   ) 1.8 0.0 2.2
assign (resid  45 and  name HA   )(resid  69 and  name HN   ) 1.8 0.0 3.2
assign (resid  53 and  name HA   )(resid  24 and  name HN   ) 1.8 0.0 3.2
assign (resid  53 and  name HA   )(resid  25 and  name HN   ) 1.8 0.0 2.2
assign (resid  56 and  name HA   )(resid  24 and  name HN   ) 1.8 0.0 3.2
assign (resid  57 and  name HA   )(resid  62 and  name HN   ) 1.8 0.0 3.2
assign (resid  65 and  name HA   )(resid   3 and  name HN   ) 1.8 0.0 3.2
assign (resid  65 and  name HA   )(resid   5 and  name HN   ) 1.8 0.0 3.2
assign (resid  67 and  name HA   )(resid   5 and  name HN   ) 1.8 0.0 2.2
assign (resid  69 and  name HA   )(resid   7 and  name HN   ) 1.8 0.0 2.2
assign (resid  69 and  name HA   )(resid  45 and  name HN   ) 1.8 0.0 3.2
assign (resid  70 and  name HA   )(resid  43 and  name HN   ) 1.8 0.0 3.2
assign (resid  70 and  name HA   )(resid  45 and  name HN   ) 1.8 0.0 3.2
assign (resid  72 and  name HA   )(resid  43 and  name HN   ) 1.8 0.0 2.2

remarks long range a-a
! use 2.2, 1.2 if strong
assign (resid   1 and  name HA   )(resid   19 and  name HA   ) 1.8 0.0 2.2
assign (resid   3 and  name HA   )(resid   17 and  name HA   ) 1.8 0.0 2.2
assign (resid   5 and  name HA   )(resid   15 and  name HA   ) 1.8 0.0 2.2
assign (resid   7 and  name HA   )(resid   13 and  name HA   ) 1.8 0.0 2.2
assign (resid  23 and  name HA   )(resid   56 and  name HA   ) 1.8 0.0 2.2
assign (resid  25 and  name HA*  )(resid   53 and  name HA   ) 1.8 0.0 3.2
assign (resid  42 and  name HA   )(resid   72 and  name HA   ) 1.8 0.0 2.2
assign (resid  44 and  name HA   )(resid   70 and  name HA   ) 1.8 0.0 2.2
assign (resid  45 and  name HA   )(resid   50 and  name HA   ) 1.8 0.0 2.2
assign (resid  57 and  name HA   )(resid   58 and  name HA   ) 1.8 0.0 3.2
assign (resid  58 and  name HA   )(resid   61 and  name HA   ) 1.8 0.0 3.2

remarks other side chain to NH
! Long-range side chain, use 3.2 (2.2 if strong)
assign (resid   2 and  name HN   )(resid  19 and  name HB*  ) 1.8 0.0 4.2
assign (resid   2 and  name HN   )(resid   4 and  name HG*  ) 1.8 0.0 5.6
assign (resid   3 and  name HN   )(resid   64 and  name HB*   ) 1.8 0.0 4.2
assign (resid   4 and  name HN   )(resid   15 and  name HB*   ) 1.8 0.0 4.2
assign (resid   5 and  name HN   )(resid   67 and  name HB*   ) 1.8 0.0 4.2
assign (resid   5 and  name HN   )(resid   68 and  name HB*   ) 1.8 0.0 4.2
assign (resid   5 and  name HN   )(resid   68 and  name HD*   ) 1.8 0.0 5.6
assign (resid   6 and  name HN   )(resid   16 and  name HG*   ) 1.8 0.0 5.6
assign (resid   6 and  name HN   )(resid   13 and  name HG*   ) 1.8 0.0 4.2
assign (resid   6 and  name HN   )(resid   14 and  name HB    ) 1.8 0.0 3.2
assign (resid   7 and  name HN   )(resid   68 and  name HB*   ) 1.8 0.0 4.2
assign (resid   7 and  name HN   )(resid   69 and  name HG*   ) 1.8 0.0 4.2
assign (resid   7 and  name HN   )(resid   70 and  name HD*   ) 1.8 0.0 5.6
assign (resid   8 and  name HN   )(resid   12 and  name HB*   ) 1.8 0.0 4.2
assign (resid   8 and  name HN   )(resid   14 and  name HG*   ) 1.8 0.0 5.6
assign (resid  14 and  name HN   )(resid    6 and  name HG*   ) 1.8 0.0 5.6
assign (resid  14 and  name HN   )(resid    6 and  name HB    ) 1.8 0.0 3.2
assign (resid  17 and  name HN   )(resid   30 and  name HG1*   ) 1.8 0.0 5.6
assign (resid  18 and  name HN   )(resid    1 and  name HG*   ) 1.8 0.0 4.2
assign (resid  18 and  name HN   )(resid    2 and  name HD1*  ) 1.8 0.0 4.2
assign (resid  18 and  name HN   )(resid    2 and  name HG1*  ) 1.8 0.0 4.2
assign (resid  18 and  name HN   )(resid    2 and  name HG2*  ) 1.8 0.0 4.2
assign (resid  18 and  name HN   )(resid    4 and  name HG*   ) 1.8 0.0 5.6
assign (resid  19 and  name HN   )(resid    2 and  name HG1*  ) 1.8 0.0 4.2
assign (resid  19 and  name HN   )(resid   21 and  name HG*   ) 1.8 0.0 4.2
assign (resid  19 and  name HN   )(resid   22 and  name HB*   ) 1.8 0.0 4.2
assign (resid  20 and  name HN   )(resid    2 and  name HD1*  ) 1.8 0.0 4.2
assign (resid  21 and  name HN   )(resid   22 and  name HB*   ) 1.8 0.0 4.2
assign (resid  22 and  name HN   )(resid   18 and  name HB*   ) 1.8 0.0 4.2
assign (resid  22 and  name HN   )(resid   19 and  name HB*   ) 1.8 0.0 4.2
assign (resid  22 and  name HN   )(resid   19 and  name HD*   ) 1.8 0.0 5.6
assign (resid  22 and  name HN   )(resid   57 and  name HD*   ) 1.8 0.0 5.6
assign (resid  23 and  name HN   )(resid   26 and  name HB*   ) 1.8 0.0 4.2
assign (resid  23 and  name HN   )(resid   57 and  name HD*   ) 1.8 0.0 5.6
assign (resid  24 and  name HN   )(resid   57 and  name HD*   ) 1.8 0.0 5.6
assign (resid  25 and  name HN   )(resid   53 and  name HB*   ) 1.8 0.0 4.2
assign (resid  26 and  name HN   )(resid   29 and  name HG*   ) 1.8 0.0 4.2
assign (resid  26 and  name HN   )(resid   53 and  name HB*   ) 1.8 0.0 4.2
assign (resid  28 and  name HN   )(resid   24 and  name HG*   ) 1.8 0.0 5.6
assign (resid  28 and  name HN   )(resid   31 and  name HB*   ) 1.8 0.0 4.2
assign (resid  28 and  name HN   )(resid   44 and  name HD*   ) 1.8 0.0 5.6
assign (resid  29 and  name HN   )(resid   26 and  name HB*   ) 1.8 0.0 4.2
assign (resid  30 and  name HN   )(resid   16 and  name HG2*  ) 1.8 0.0 4.2
assign (resid  30 and  name HN   )(resid   26 and  name HB*   ) 1.8 0.0 4.2
assign (resid  31 and  name HN   )(resid   16 and  name HG*   ) 1.8 0.0 5.6
assign (resid  32 and  name HN   )(resid   42 and  name HD1*  ) 1.8 0.0 4.2
assign (resid  41 and  name HN   )(resid   37 and  name HB    ) 1.8 0.0 3.2
assign (resid  41 and  name HN   )(resid   37 and  name HG2*  ) 1.8 0.0 4.2
assign (resid  41 and  name HN   )(resid   38 and  name HG*   ) 1.8 0.0 4.2
assign (resid  42 and  name HN   )(resid   37 and  name HG2*  ) 1.8 0.0 4.2
assign (resid  42 and  name HN   )(resid   28 and  name HE*   ) 1.8 0.0 4.2
assign (resid  43 and  name HN   )(resid   71 and  name HB*   ) 1.8 0.0 3.2
assign (resid  43 and  name HN   )(resid   70 and  name HD*   ) 1.8 0.0 5.6
assign (resid  44 and  name HN   )(resid   28 and  name HD*   ) 1.8 0.0 4.2
assign (resid  44 and  name HN   )(resid   28 and  name HG*   ) 1.8 0.0 4.2
assign (resid  44 and  name HN   )(resid   28 and  name HE*   ) 1.8 0.0 4.2
assign (resid  44 and  name HN   )(resid   51 and  name HD*   ) 1.8 0.0 5.6
assign (resid  45 and  name HN   )(resid   51 and  name HD*   ) 1.8 0.0 5.6
assign (resid  45 and  name HN   )(resid   68 and  name HD*   ) 1.8 0.0 5.6
assign (resid  45 and  name HN   )(resid   69 and  name HG*   ) 1.8 0.0 4.2
assign (resid  46 and  name HN   )(resid   49 and  name HB*    ) 1.8 0.0 4.2
assign (resid  46 and  name HN   )(resid   51 and  name HG    ) 1.8 0.0 4.2
assign (resid  46 and  name HN   )(resid   51 and  name HD1*  ) 1.8 0.0 4.2
assign (resid  46 and  name HN   )(resid   51 and  name HD2*  ) 1.8 0.0 4.2
assign (resid  49 and  name HN   )(resid   45 and  name HB*   ) 1.8 0.0 4.2
assign (resid  49 and  name HN   )(resid   45 and  name HG*   ) 1.8 0.0 4.2
assign (resid  49 and  name HN   )(resid   46 and  name HB*   ) 1.8 0.0 4.2
assign (resid  49 and  name HN   )(resid   51 and  name HD2*  ) 1.8 0.0 4.2
assign (resid  52 and  name HN   )(resid   55 and  name HG1*  ) 1.8 0.0 4.2
assign (resid  52 and  name HN   )(resid   24 and  name HG*   ) 1.8 0.0 5.6
assign (resid  53 and  name HN   )(resid   24 and  name HG*   ) 1.8 0.0 5.6
assign (resid  55 and  name HN   )(resid   24 and  name HB    ) 1.8 0.0 2.2
assign (resid  55 and  name HN   )(resid   24 and  name HG*   ) 1.8 0.0 5.6
assign (resid  55 and  name HN   )(resid   52 and  name HB*   ) 1.8 0.0 3.2
assign (resid  56 and  name HN   )(resid   23 and  name HB*   ) 1.8 0.0 4.2
assign (resid  56 and  name HN   )(resid   59 and  name HB*   ) 1.8 0.0 4.2
assign (resid  58 and  name HN   )(resid   20 and  name HB*   ) 1.8 0.0 4.2
assign (resid  59 and  name HN   )(resid   56 and  name HB*   ) 1.8 0.0 4.2
assign (resid  59 and  name HN   )(resid   55 and  name HG2*  ) 1.8 0.0 4.2
assign (resid  60 and  name HN   )(resid   57 and  name HB*   ) 1.8 0.0 4.2
assign (resid  60 and  name HN   )(resid   62 and  name HG*   ) 1.8 0.0 5.6
assign (resid  62 and  name HN   )(resid   57 and  name HB*   ) 1.8 0.0 4.2
assign (resid  62 and  name HN   )(resid   57 and  name HD*   ) 1.8 0.0 5.6
assign (resid  63 and  name HN   )(resid   66 and  name HB    ) 1.8 0.0 3.2
assign (resid  63 and  name HN   )(resid   66 and  name HG2*  ) 1.8 0.0 4.2
assign (resid  64 and  name HN   )(resid    2 and  name HB    ) 1.8 0.0 3.2
assign (resid  64 and  name HN   )(resid    2 and  name HD1*  ) 1.8 0.0 4.2
assign (resid  64 and  name HN   )(resid    2 and  name HG2*  ) 1.8 0.0 4.2
assign (resid  65 and  name HN   )(resid    2 and  name HB    ) 1.8 0.0 4.2
assign (resid  65 and  name HN   )(resid    2 and  name HG2*  ) 1.8 0.0 4.2
assign (resid  65 and  name HN   )(resid    2 and  name HD1*  ) 1.8 0.0 4.2
assign (resid  65 and  name HN   )(resid    4 and  name HG*   ) 1.8 0.0 5.6
assign (resid  65 and  name HN   )(resid    5 and  name HG*   ) 1.8 0.0 5.6
assign (resid  66 and  name HN   )(resid    4 and  name HG*   ) 1.8 0.0 5.6
assign (resid  66 and  name HN   )(resid    5 and  name HG*   ) 1.8 0.0 5.6
assign (resid  67 and  name HN   )(resid    5 and  name HG*   ) 1.8 0.0 5.6
assign (resid  68 and  name HN   )(resid    4 and  name HG*   ) 1.8 0.0 5.6
assign (resid  68 and  name HN   )(resid    6 and  name HG*   ) 1.8 0.0 5.6
assign (resid  69 and  name HN   )(resid    6 and  name HG*   ) 1.8 0.0 5.6
assign (resid  69 and  name HN   )(resid   44 and  name HB*   ) 1.8 0.0 4.2
assign (resid  69 and  name HN   )(resid   44 and  name HD*   ) 1.8 0.0 5.6
assign (resid  69 and  name HN   )(resid   45 and  name HB*   ) 1.8 0.0 4.2
assign (resid  70 and  name HN   )(resid    6 and  name HG*   ) 1.8 0.0 5.6
assign (resid  70 and  name HN   )(resid   71 and  name HB*   ) 1.8 0.0 4.2
assign (resid  70 and  name HN   )(resid    7 and  name HB*   ) 1.8 0.0 4.2
assign (resid  71 and  name HN   )(resid   43 and  name HB    ) 1.8 0.0 3.2
assign (resid  71 and  name HN   )(resid   43 and  name HG*   ) 1.8 0.0 5.6
assign (resid  72 and  name HN   )(resid   43 and  name HB    ) 1.8 0.0 3.2
assign (resid  72 and  name HN   )(resid   43 and  name HG*   ) 1.8 0.0 5.6
assign (resid  73 and  name HN   )(resid   41 and  name HB*   ) 1.8 0.0 4.2
assign (resid  73 and  name HN   )(resid   41 and  name HG*   ) 1.8 0.0 4.2

remarks side chain amide protons
assign (resid   7 and  name HD2* )(resid    5 and  name HB    ) 1.8 0.0 4.2
assign (resid   7 and  name HD2* )(resid    5 and  name HG*   ) 1.8 0.0 6.6
assign (resid   7 and  name HD2* )(resid   68 and  name HN    ) 1.8 0.0 4.2
assign (resid   7 and  name HD2* )(resid   67 and  name HA    ) 1.8 0.0 4.2
assign (resid   7 and  name HD2* )(resid   67 and  name HB*   ) 1.8 0.0 5.2
assign (resid  34 and  name HE2* )(resid   16 and  name HG*   ) 1.8 0.0 6.6
assign (resid  34 and  name HE2* )(resid   14 and  name HG*   ) 1.8 0.0 6.6
assign (resid  34 and  name HE2* )(resid   14 and  name HB    ) 1.8 0.0 4.2
assign (resid  34 and  name HE2* )(resid   31 and  name HB*   ) 1.8 0.0 5.2
assign (resid  34 and  name HE2* )(resid   16 and  name HA    ) 1.8 0.0 4.2
assign (resid  34 and  name HE2* )(resid   15 and  name HN    ) 1.8 0.0 4.2
assign (resid  34 and  name HE2* )(resid   16 and  name HN    ) 1.8 0.0 4.2
assign (resid  34 and  name HE2* )(resid   17 and  name HN    ) 1.8 0.0 4.2
assign (resid  65 and  name HE2* )(resid     3 and  name HN    ) 1.8 0.0 4.2
assign (resid  65 and  name HE2* )(resid     3 and  name HB*   ) 1.8 0.0 5.2
assign (resid  65 and  name HE2* )(resid     3 and  name HG*   ) 1.8 0.0 5.2
assign (resid  65 and  name HE2* )(resid     5 and  name HG*   ) 1.8 0.0 6.6
assign (resid  65 and  name HE2* )(resid    64 and  name HA    ) 1.8 0.0 4.2
assign (resid  67 and  name HD2* )(resid     5 and  name HB    ) 1.8 0.0 4.2
assign (resid  67 and  name HD2* )(resid     5 and  name HG*   ) 1.8 0.0 6.6

remarks long range side chain to alpha
! Long-range side chain, use 3.2 (2.2 if strong)
assign (resid   1 and  name HA   )(resid   2 and  name HG2*  ) 1.8 0.0 4.2
assign (resid   2 and  name HA   )(resid  64 and  name HB*   ) 1.8 0.0 4.2
assign (resid   6 and  name HA   )(resid  68 and  name HB*   ) 1.8 0.0 4.2
assign (resid   7 and  name HA   )(resid  13 and  name HG*   ) 1.8 0.0 4.2
assign (resid   8 and  name HA   )(resid  70 and  name HB*   ) 1.8 0.0 4.2
assign (resid   8 and  name HA   )(resid  70 and  name HD2*  ) 1.8 0.0 4.2
assign (resid  13 and  name HA   )(resid  14 and  name HG2*  ) 1.8 0.0 5.6
assign (resid  15 and  name HA   )(resid  14 and  name HG*   ) 1.8 0.0 5.6
assign (resid  17 and  name HA   )(resid  16 and  name HG1*  ) 1.8 0.0 4.2
assign (resid  18 and  name HA   )(resid   1 and  name HE*   ) 1.8 0.0 4.2
assign (resid  18 and  name HA   )(resid  30 and  name HG1*  ) 1.8 0.0 4.2
assign (resid  18 and  name HA   )(resid  30 and  name HG2*  ) 1.8 0.0 4.2
assign (resid  19 and  name HA   )(resid   2 and  name HG2*  ) 1.8 0.0 4.2
assign (resid  20 and  name HA   )(resid   2 and  name HD1*  ) 1.8 0.0 4.2
assign (resid  20 and  name HA   )(resid   2 and  name HG2*  ) 1.8 0.0 4.2
assign (resid  20 and  name HA   )(resid  57 and  name HB*   ) 1.8 0.0 4.2
assign (resid  20 and  name HA   )(resid  57 and  name HD1*  ) 1.8 0.0 4.2
assign (resid  20 and  name HA   )(resid  57 and  name HD2*  ) 1.8 0.0 4.2
assign (resid  24 and  name HA   )(resid  57 and  name HD1*  ) 1.8 0.0 4.2
assign (resid  24 and  name HA   )(resid  57 and  name HD2*  ) 1.8 0.0 4.2
assign (resid  26 and  name HA   )(resid  30 and  name HG2*  ) 1.8 0.0 4.2
assign (resid  28 and  name HA   )(resid  42 and  name HD1*  ) 1.8 0.0 4.2
assign (resid  29 and  name HA   )(resid  39 and  name HG*   ) 1.8 0.0 4.2
assign (resid  31 and  name HA   )(resid  16 and  name HG1*  ) 1.8 0.0 4.2
assign (resid  31 and  name HA   )(resid  16 and  name HG2*  ) 1.8 0.0 4.2
assign (resid  31 and  name HA   )(resid  30 and  name HG1*  ) 1.8 0.0 4.2
assign (resid  31 and  name HA   )(resid  35 and  name HG2*  ) 1.8 0.0 4.2
assign (resid  32 and  name HA   )(resid  35 and  name HG1*  ) 1.8 0.0 4.2
assign (resid  32 and  name HA   )(resid  35 and  name HG2*  ) 1.8 0.0 4.2
assign (resid  32 and  name HA   )(resid  35 and  name HD1*  ) 1.8 0.0 4.2
assign (resid  32 and  name HA   )(resid  42 and  name HD1*  ) 1.8 0.0 4.2
assign (resid  32 and  name HA   )(resid  37 and  name HG2*  ) 1.8 0.0 4.2
assign (resid  36 and  name HA*  )(resid  37 and  name HG2*  ) 1.8 0.0 5.2
assign (resid  37 and  name HA   )(resid  38 and  name HG*   ) 1.8 0.0 4.2
assign (resid  38 and  name HA   )(resid  32 and  name HB*   ) 1.8 0.0 4.2
assign (resid  38 and  name HA   )(resid  39 and  name HG*   ) 1.8 0.0 4.2
assign (resid  39 and  name HA   )(resid  42 and  name HG1*  ) 1.8 0.0 4.2
assign (resid  39 and  name HA   )(resid  42 and  name HG2*  ) 1.8 0.0 4.2
assign (resid  39 and  name HA   )(resid  42 and  name HD1*  ) 1.8 0.0 4.2
assign (resid  41 and  name HA   )(resid  73 and  name HB*   ) 1.8 0.0 4.2
assign (resid  41 and  name HA   )(resid  73 and  name HD*   ) 1.8 0.0 5.6
assign (resid  42 and  name HA   )(resid  72 and  name HB*   ) 1.8 0.0 4.2
assign (resid  42 and  name HA   )(resid  70 and  name HD1*  ) 1.8 0.0 4.2
assign (resid  44 and  name HA   )(resid  70 and  name HD1*  ) 1.8 0.0 4.2
assign (resid  45 and  name HA   )(resid  50 and  name HG*   ) 1.8 0.0 5.6
assign (resid  45 and  name HA   )(resid  51 and  name HG    ) 1.8 0.0 4.2
assign (resid  45 and  name HA   )(resid  51 and  name HD1*  ) 1.8 0.0 5.6
assign (resid  45 and  name HA   )(resid  51 and  name HD2*  ) 1.8 0.0 5.6
assign (resid  43 and  name HA   )(resid  44 and  name HD1*  ) 1.8 0.0 4.2
assign (resid  50 and  name HA   )(resid  51 and  name HD2*  ) 1.8 0.0 4.2
assign (resid  50 and  name HA   )(resid  45 and  name HB*   ) 1.8 0.0 4.2
assign (resid  50 and  name HA   )(resid  45 and  name HG*   ) 1.8 0.0 4.2
assign (resid  51 and  name HA   )(resid  24 and  name HG1*  ) 1.8 0.0 4.2
assign (resid  51 and  name HA   )(resid  24 and  name HG2*  ) 1.8 0.0 4.2
assign (resid  51 and  name HA   )(resid  60 and  name HE*   ) 1.8 0.0 5.2
assign (resid  53 and  name HA   )(resid  24 and  name HB    ) 1.8 0.0 3.2
assign (resid  53 and  name HA   )(resid  24 and  name HG1*  ) 1.8 0.0 4.2
assign (resid  53 and  name HA   )(resid  24 and  name HG2*  ) 1.8 0.0 4.2
assign (resid  55 and  name HA   )(resid  60 and  name HE*   ) 1.8 0.0 5.2
assign (resid  57 and  name HA   )(resid  24 and  name HG2*  ) 1.8 0.0 4.2
assign (resid  57 and  name HA   )(resid  60 and  name HB*   ) 1.8 0.0 4.2
assign (resid  57 and  name HA   )(resid  62 and  name HB    ) 1.8 0.0 3.2
assign (resid  57 and  name HA   )(resid  62 and  name HG*   ) 1.8 0.0 5.6
assign (resid  58 and  name HA   )(resid  20 and  name HB*   ) 1.8 0.0 4.2
assign (resid  59 and  name HA   )(resid  55 and  name HG2*  ) 1.8 0.0 4.2
assign (resid  62 and  name HA   )(resid  66 and  name HB    ) 1.8 0.0 3.2
assign (resid  62 and  name HA   )(resid  66 and  name HG2*  ) 1.8 0.0 4.2
assign (resid  63 and  name HA   )(resid   2 and  name HD1*  ) 1.8 0.0 4.2
assign (resid  63 and  name HA   )(resid   2 and  name HG2*  ) 1.8 0.0 4.2
assign (resid  63 and  name HA   )(resid  62 and  name HG*   ) 1.8 0.0 5.6
assign (resid  64 and  name HA   )(resid   2 and  name HD1*  ) 1.8 0.0 4.2
assign (resid  64 and  name HA   )(resid   2 and  name HB    ) 1.8 0.0 3.2
assign (resid  64 and  name HA   )(resid   2 and  name HG2*  ) 1.8 0.0 4.2
assign (resid  64 and  name HA   )(resid   4 and  name HG*   ) 1.8 0.0 5.6
assign (resid  65 and  name HA   )(resid   5 and  name HG*   ) 1.8 0.0 5.6
assign (resid  67 and  name HA   )(resid   5 and  name HG*   ) 1.8 0.0 5.6
assign (resid  67 and  name HA   )(resid   5 and  name HB    ) 1.8 0.0 3.2
assign (resid  69 and  name HA   )(resid   7 and  name HB*   ) 1.8 0.0 4.2
assign (resid  70 and  name HA   )(resid  44 and  name HD2*  ) 1.8 0.0 4.2
assign (resid  72 and  name HA   )(resid  42 and  name HG2*  ) 1.8 0.0 4.2
assign (resid  72 and  name HA   )(resid  43 and  name HG*   ) 1.8 0.0 5.6

remarks long range side chain to side chain
! Use 3.2, +1 for HG*, +2.4 for HG**, +2 for arom, for strong use 2.2
assign (resid   2 and  name HD1* )(resid   4 and  name HG*  ) 1.8 0.0 6.6
assign (resid   2 and  name HD1* )(resid  20 and  name HB*  ) 1.8 0.0 5.2
assign (resid   2 and  name HD1* )(resid  57 and  name HD1* ) 1.8 0.0 5.2
assign (resid   2 and  name HG1* )(resid  66 and  name HG2* ) 1.8 0.0 5.2
assign (resid   2 and  name HG2* )(resid   4 and  name HG*  ) 1.8 0.0 6.6
assign (resid   2 and  name HG2* )(resid  20 and  name HB*  ) 1.8 0.0 5.2
assign (resid   2 and  name HG2* )(resid  64 and  name HB*  ) 1.8 0.0 5.2
assign (resid   4 and  name HB   )(resid  27 and  name HD*  ) 1.8 0.0 5.2
assign (resid   4 and  name HB   )(resid  27 and  name HE*  ) 1.8 0.0 5.2
assign (resid   4 and  name HB   )(resid  27 and  name HZ   ) 1.8 0.0 5.2
assign (resid   4 and  name HG*  )(resid  57 and  name HD1* ) 1.8 0.0 6.6
assign (resid   6 and  name HG*  )(resid  27 and  name HD*  ) 1.8 0.0 7.6
assign (resid   6 and  name HG*  )(resid  27 and  name HE*  ) 1.8 0.0 7.6
assign (resid   6 and  name HG*  )(resid  27 and  name HZ   ) 1.8 0.0 7.6
assign (resid   6 and  name HG*  )(resid  68 and  name HD1* ) 1.8 0.0 6.6
assign (resid   8 and  name HB*  )(resid  70 and  name HD2* ) 1.8 0.0 5.2
assign (resid   8 and  name HB*  )(resid  72 and  name HE*  ) 1.8 0.0 6.2
assign (resid   9 and  name HD*  )(resid  71 and  name HD*  ) 1.8 0.0 6.2
assign (resid   9 and  name HG*  )(resid  71 and  name HE*  ) 1.8 0.0 6.2
assign (resid   9 and  name HD*  )(resid  71 and  name HE*  ) 1.8 0.0 6.2
assign (resid  12 and  name HG*  )(resid  14 and  name HG2* ) 1.8 0.0 5.2
assign (resid  12 and  name HD*  )(resid  14 and  name HG2* ) 1.8 0.0 5.2
assign (resid  14 and  name HB   )(resid  35 and  name HG2* ) 1.8 0.0 4.2
assign (resid  14 and  name HG2* )(resid  35 and  name HG2* ) 1.8 0.0 5.2
assign (resid  16 and  name HG1* )(resid  18 and  name HB*  ) 1.8 0.0 5.2
assign (resid  16 and  name HG1* )(resid  27 and  name HD*  ) 1.8 0.0 6.2
assign (resid  16 and  name HG1* )(resid  27 and  name HE*  ) 1.8 0.0 6.2
assign (resid  16 and  name HG1* )(resid  27 and  name HZ   ) 1.8 0.0 4.2
assign (resid  16 and  name HG1* )(resid  30 and  name HB   ) 1.8 0.0 4.2
assign (resid  16 and  name HG1* )(resid  30 and  name HG1* ) 1.8 0.0 5.2
assign (resid  16 and  name HG1* )(resid  31 and  name HD2* ) 1.8 0.0 5.2
assign (resid  16 and  name HG2* )(resid  27 and  name HE*  ) 1.8 0.0 6.2
assign (resid  18 and  name HB*  )(resid  27 and  name HD*  ) 1.8 0.0 6.2
assign (resid  18 and  name HB*  )(resid  30 and  name HG2* ) 1.8 0.0 5.2
assign (resid  18 and  name HB*  )(resid  57 and  name HD1* ) 1.8 0.0 5.2
assign (resid  20 and  name HB*  )(resid  58 and  name HB*  ) 1.8 0.0 5.2
assign (resid  20 and  name HB*  )(resid  58 and  name HG*  ) 1.8 0.0 5.2
assign (resid  22 and  name HB*  )(resid  57 and  name HD1* ) 1.8 0.0 5.2
assign (resid  24 and  name HG1* )(resid  51 and  name HD1* ) 1.8 0.0 5.2
assign (resid  24 and  name HG1* )(resid  51 and  name HD2* ) 1.8 0.0 5.2
assign (resid  24 and  name HG1* )(resid  60 and  name HE*  ) 1.8 0.0 6.2
assign (resid  24 and  name HG2* )(resid  51 and  name HB*  ) 1.8 0.0 5.2
assign (resid  24 and  name HG2* )(resid  51 and  name HD1* ) 1.8 0.0 5.2
assign (resid  24 and  name HG2* )(resid  51 and  name HD2* ) 1.8 0.0 5.2
assign (resid  24 and  name HG2* )(resid  55 and  name HB   ) 1.8 0.0 5.2
assign (resid  24 and  name HG2* )(resid  55 and  name HG2* ) 1.8 0.0 5.2
assign (resid  24 and  name HG2* )(resid  55 and  name HD1* ) 1.8 0.0 5.2
assign (resid  24 and  name HG2* )(resid  57 and  name HG   ) 1.8 0.0 4.2
assign (resid  24 and  name HG2* )(resid  57 and  name HD1* ) 1.8 0.0 5.2
assign (resid  24 and  name HG2* )(resid  57 and  name HD2* ) 1.8 0.0 5.2
assign (resid  24 and  name HG2* )(resid  60 and  name HD*  ) 1.8 0.0 6.2
assign (resid  24 and  name HG2* )(resid  60 and  name HE*  ) 1.8 0.0 6.2
assign (resid  27 and  name HB*  )(resid  57 and  name HD2* ) 1.8 0.0 5.2
assign (resid  27 and  name HB*  )(resid  57 and  name HD1* ) 1.8 0.0 5.2
assign (resid  27 and  name HD*  )(resid  44 and  name HD1* ) 1.8 0.0 6.2
assign (resid  27 and  name HD*  )(resid  57 and  name HD1* ) 1.8 0.0 6.2
assign (resid  27 and  name HD*  )(resid  57 and  name HD2* ) 1.8 0.0 6.2
assign (resid  27 and  name HE*  )(resid  31 and  name HD2* ) 1.8 0.0 6.2
assign (resid  27 and  name HE*  )(resid  44 and  name HD1* ) 1.8 0.0 6.2
assign (resid  27 and  name HE*  )(resid  44 and  name HD2* ) 1.8 0.0 6.2
assign (resid  27 and  name HZ   )(resid  31 and  name HD2* ) 1.8 0.0 4.2
assign (resid  27 and  name HZ   )(resid  44 and  name HD1* ) 1.8 0.0 4.2
assign (resid  27 and  name HE*  )(resid  68 and  name HD1* ) 1.8 0.0 6.2
assign (resid  28 and  name HD*  )(resid  42 and  name HG2* ) 1.8 0.0 5.2
assign (resid  28 and  name HD*  )(resid  44 and  name HD1* ) 1.8 0.0 5.2
assign (resid  28 and  name HG*  )(resid  42 and  name HG2* ) 1.8 0.0 5.2
assign (resid  28 and  name HE*  )(resid  44 and  name HD1* ) 1.8 0.0 5.2
assign (resid  31 and  name HG   )(resid  42 and  name HD1* ) 1.8 0.0 5.2
assign (resid  31 and  name HD2* )(resid  35 and  name HD1* ) 1.8 0.0 5.2
assign (resid  31 and  name HD2* )(resid  42 and  name HD1* ) 1.8 0.0 5.2
assign (resid  31 and  name HD2* )(resid  42 and  name HG2* ) 1.8 0.0 5.2
assign (resid  31 and  name HD2* )(resid  70 and  name HD1* ) 1.8 0.0 5.2
assign (resid  31 and  name HD2* )(resid  70 and  name HD2* ) 1.8 0.0 5.2
assign (resid  32 and  name HB*  )(resid  42 and  name HD1* ) 1.8 0.0 5.2
assign (resid  34 and  name HB*  )(resid  35 and  name HG2* ) 1.8 0.0 5.2
assign (resid  34 and  name HG*  )(resid  35 and  name HG2* ) 1.8 0.0 5.2
assign (resid  35 and  name HD1* )(resid  37 and  name HB   ) 1.8 0.0 4.2
assign (resid  35 and  name HD1* )(resid  37 and  name HG2* ) 1.8 0.0 5.2
assign (resid  35 and  name HD1* )(resid  70 and  name HD1* ) 1.8 0.0 5.2
assign (resid  35 and  name HD1* )(resid  70 and  name HD2* ) 1.8 0.0 5.2
assign (resid  35 and  name HG1* )(resid  37 and  name HG2* ) 1.8 0.0 5.2
assign (resid  35 and  name HG2* )(resid  37 and  name HG2* ) 1.8 0.0 5.2
assign (resid  35 and  name HG2* )(resid  70 and  name HD2* ) 1.8 0.0 5.2
assign (resid  37 and  name HB   )(resid  42 and  name HD1* ) 1.8 0.0 5.2
assign (resid  37 and  name HB   )(resid  72 and  name HE*  ) 1.8 0.0 5.2
assign (resid  37 and  name HG2* )(resid  41 and  name HB*  ) 1.8 0.0 5.2
assign (resid  37 and  name HG2* )(resid  41 and  name HD*  ) 1.8 0.0 5.2
assign (resid  37 and  name HG2* )(resid  42 and  name HD1* ) 1.8 0.0 5.2
assign (resid  37 and  name HG2* )(resid  42 and  name HG1* ) 1.8 0.0 5.2
assign (resid  37 and  name HG2* )(resid  42 and  name HG2* ) 1.8 0.0 5.2
assign (resid  37 and  name HG2* )(resid  70 and  name HD1* ) 1.8 0.0 5.2
assign (resid  37 and  name HG2* )(resid  72 and  name HD*  ) 1.8 0.0 6.2
assign (resid  37 and  name HG2* )(resid  72 and  name HE*  ) 1.8 0.0 6.2
assign (resid  38 and  name HB*  )(resid  39 and  name HD*  ) 1.8 0.0 5.2
assign (resid  38 and  name HG*  )(resid  39 and  name HD*  ) 1.8 0.0 5.2
assign (resid  42 and  name HB   )(resid  70 and  name HD1* ) 1.8 0.0 4.2
assign (resid  42 and  name HD1* )(resid  70 and  name HD1* ) 1.8 0.0 5.2
assign (resid  42 and  name HG1* )(resid  72 and  name HE*  ) 1.8 0.0 6.2
assign (resid  42 and  name HG2* )(resid  44 and  name HG   ) 1.8 0.0 4.2
assign (resid  42 and  name HG2* )(resid  70 and  name HD1* ) 1.8 0.0 5.2
assign (resid  42 and  name HG2* )(resid  70 and  name HD2* ) 1.8 0.0 5.2
assign (resid  42 and  name HG2* )(resid  72 and  name HD*  ) 1.8 0.0 6.2
assign (resid  42 and  name HG2* )(resid  72 and  name HE*  ) 1.8 0.0 6.2
assign (resid  43 and  name HB   )(resid  71 and  name HD*  ) 1.8 0.0 5.2
assign (resid  43 and  name HG*  )(resid  71 and  name HD*  ) 1.8 0.0 7.6
assign (resid  43 and  name HG*  )(resid  71 and  name HE*  ) 1.8 0.0 7.6
assign (resid  44 and  name HG   )(resid  70 and  name HD1* ) 1.8 0.0 4.2
assign (resid  44 and  name HD1* )(resid  51 and  name HD1* ) 1.8 0.0 5.2
assign (resid  44 and  name HD1* )(resid  68 and  name HD1* ) 1.8 0.0 5.2
assign (resid  44 and  name HD2* )(resid  70 and  name HD1* ) 1.8 0.0 5.2
assign (resid  44 and  name HD2* )(resid  68 and  name HD1* ) 1.8 0.0 5.2
assign (resid  45 and  name HB*  )(resid  71 and  name HE*  ) 1.8 0.0 6.2
assign (resid  45 and  name HB*  )(resid  69 and  name HG*  ) 1.8 0.0 5.2
assign (resid  45 and  name HG*  )(resid  70 and  name HD1* ) 1.8 0.0 5.2
assign (resid  46 and  name HB*  )(resid  51 and  name HD1* ) 1.8 0.0 5.2
assign (resid  46 and  name HB*  )(resid  51 and  name HD2* ) 1.8 0.0 5.2
assign (resid  46 and  name HD*  )(resid  51 and  name HD2* ) 1.8 0.0 5.2
assign (resid  46 and  name HG*  )(resid  51 and  name HD1* ) 1.8 0.0 5.2
assign (resid  46 and  name HG*  )(resid  51 and  name HD2* ) 1.8 0.0 5.2
assign (resid  46 and  name HE*  )(resid  66 and  name HG2* ) 1.8 0.0 5.2
assign (resid  49 and  name HB*  )(resid  51 and  name HD2* ) 1.8 0.0 5.2
assign (resid  51 and  name HB*  )(resid  60 and  name HE*  ) 1.8 0.0 6.2
assign (resid  51 and  name HD1* )(resid  60 and  name HE*  ) 1.8 0.0 6.2
assign (resid  51 and  name HD1* )(resid  62 and  name HG*  ) 1.8 0.0 6.6
assign (resid  51 and  name HD1* )(resid  68 and  name HD1* ) 1.8 0.0 5.2
assign (resid  51 and  name HD2* )(resid  57 and  name HD2* ) 1.8 0.0 5.2
assign (resid  51 and  name HD2* )(resid  60 and  name HB*  ) 1.8 0.0 5.2
assign (resid  51 and  name HD2* )(resid  60 and  name HE*  ) 1.8 0.0 6.2
assign (resid  51 and  name HD2* )(resid  60 and  name HD*  ) 1.8 0.0 6.2
assign (resid  51 and  name HD2* )(resid  62 and  name HG*  ) 1.8 0.0 6.6
assign (resid  52 and  name HB*  )(resid  55 and  name HD1* ) 1.8 0.0 5.2
assign (resid  52 and  name HD*  )(resid  55 and  name HD1* ) 1.8 0.0 5.2
assign (resid  52 and  name HE*  )(resid  55 and  name HD1* ) 1.8 0.0 5.2
assign (resid  54 and  name HB*  )(resid  60 and  name HE*  ) 1.8 0.0 6.2
assign (resid  55 and  name HB   )(resid  60 and  name HE*  ) 1.8 0.0 5.2
assign (resid  55 and  name HG1* )(resid  60 and  name HE*  ) 1.8 0.0 6.2
assign (resid  55 and  name HG2* )(resid  59 and  name HB*  ) 1.8 0.0 5.2
assign (resid  55 and  name HG2* )(resid  60 and  name HE*  ) 1.8 0.0 6.2
assign (resid  55 and  name HG2* )(resid  60 and  name HD*  ) 1.8 0.0 6.2
assign (resid  55 and  name HD1* )(resid  60 and  name HE*  ) 1.8 0.0 6.2
assign (resid  57 and  name HD2* )(resid  62 and  name HB   ) 1.8 0.0 4.2
assign (resid  60 and  name HB*  )(resid  62 and  name HG*  ) 1.8 0.0 6.6
assign (resid  62 and  name HG*  )(resid  66 and  name HB   ) 1.8 0.0 5.6
assign (resid  62 and  name HG*  )(resid  66 and  name HG2* ) 1.8 0.0 6.6
assign (resid  62 and  name HG*  )(resid  68 and  name HD1* ) 1.8 0.0 6.6
assign (resid  69 and  name HB*  )(resid  71 and  name HD*  ) 1.8 0.0 6.2
assign (resid  69 and  name HB*  )(resid  71 and  name HE*  ) 1.8 0.0 6.2
assign (resid  69 and  name HG*  )(resid  71 and  name HE*  ) 1.8 0.0 6.2
assign (resid  70 and  name HD1* )(resid  72 and  name HE*  ) 1.8 0.0 6.2
assign (resid  70 and  name HD2* )(resid  72 and  name HE*  ) 1.8 0.0 6.2

remarks intraresidue
! strong 0.7 (2.5 A), medium, 1.7 (3.5 A), weak 3.2 (5.0 A)
assign (resid   1 and  name HA   )(resid   1 and  name HE*   ) 1.8 0.0 4.2
assign (resid   7 and  name HN   )(resid   7 and  name HD2*  ) 1.8 0.0 4.2
assign (resid  65 and  name HN   )(resid  65 and  name HE2*  ) 1.8 0.0 4.2
assign (resid  67 and  name HN   )(resid  67 and  name HD2*  ) 1.8 0.0 4.2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    MET   1           1H       MET   1  10.709   6.852   7.683
    2    HA   MET   1           HA       MET   1   9.943   4.864   5.618
    3   1HB   MET   1          2HB       MET   1  11.363   4.256   7.870
    4   2HB   MET   1          1HB       MET   1   9.712   4.176   8.488
    5   1HG   MET   1          2HG       MET   1   9.408   2.189   7.483
    6   2HG   MET   1          1HG       MET   1   9.791   2.902   5.917
    7   1HE   MET   1          1HE       MET   1  11.246   1.671   4.574
    8   2HE   MET   1          2HE       MET   1  10.611   0.303   5.486
    9   3HE   MET   1          3HE       MET   1  12.336   0.395   5.137
   10    H    ILE   2           H        ILE   2   7.733   4.656   5.430
   11    HA   ILE   2           HA       ILE   2   6.034   6.196   7.355
   12    HB   ILE   2           HB       ILE   2   4.537   6.732   5.431
   13   1HG1  ILE   2          2HG1      ILE   2   6.783   5.963   3.582
   14   2HG1  ILE   2          1HG1      ILE   2   5.606   4.744   4.070
   15   1HG2  ILE   2          1HG2      ILE   2   6.162   8.394   6.164
   16   2HG2  ILE   2          2HG2      ILE   2   6.059   8.428   4.404
   17   3HG2  ILE   2          3HG2      ILE   2   7.422   7.634   5.193
   18   1HD1  ILE   2          1HD1      ILE   2   4.900   5.827   1.978
   19   2HD1  ILE   2          2HD1      ILE   2   4.961   7.405   2.764
   20   3HD1  ILE   2          3HD1      ILE   2   3.773   6.208   3.280
   21    H    GLU   3           H        GLU   3   3.774   5.403   7.452
   22    HA   GLU   3           HA       GLU   3   3.597   2.474   6.841
   23   1HB   GLU   3          2HB       GLU   3   3.575   3.605   9.345
   24   2HB   GLU   3          1HB       GLU   3   1.852   3.534   8.977
   25   1HG   GLU   3          2HG       GLU   3   3.700   1.164   8.611
   26   2HG   GLU   3          1HG       GLU   3   2.819   1.464  10.108
   27    H    VAL   4           H        VAL   4   2.180   2.190   5.187
   28    HA   VAL   4           HA       VAL   4  -0.194   4.010   5.051
   29    HB   VAL   4           HB       VAL   4  -0.195   3.795   2.677
   30   1HG1  VAL   4          1HG1      VAL   4   2.307   4.461   4.036
   31   2HG1  VAL   4          2HG1      VAL   4   1.493   5.295   2.717
   32   3HG1  VAL   4          3HG1      VAL   4   2.567   3.944   2.371
   33   1HG2  VAL   4          1HG2      VAL   4   1.804   2.213   1.782
   34   2HG2  VAL   4          2HG2      VAL   4   0.159   1.630   2.024
   35   3HG2  VAL   4          3HG2      VAL   4   1.387   1.348   3.257
   36    H    VAL   5           H        VAL   5  -2.236   3.050   4.530
   37    HA   VAL   5           HA       VAL   5  -2.366   0.132   5.167
   38    HB   VAL   5           HB       VAL   5  -4.758   0.603   5.779
   39   1HG1  VAL   5          1HG1      VAL   5  -2.972   2.466   7.330
   40   2HG1  VAL   5          2HG1      VAL   5  -2.681   0.727   7.355
   41   3HG1  VAL   5          3HG1      VAL   5  -4.219   1.373   7.929
   42   1HG2  VAL   5          1HG2      VAL   5  -4.185   3.515   5.955
   43   2HG2  VAL   5          2HG2      VAL   5  -5.699   2.687   5.599
   44   3HG2  VAL   5          3HG2      VAL   5  -4.487   2.887   4.336
   45    H    VAL   6           H        VAL   6  -3.433  -1.252   3.759
   46    HA   VAL   6           HA       VAL   6  -4.482  -0.024   1.237
   47    HB   VAL   6           HB       VAL   6  -3.293  -2.793   1.318
   48   1HG1  VAL   6          1HG1      VAL   6  -3.246  -2.582  -0.993
   49   2HG1  VAL   6          2HG1      VAL   6  -3.092  -0.826  -0.934
   50   3HG1  VAL   6          3HG1      VAL   6  -4.652  -1.586  -0.617
   51   1HG2  VAL   6          1HG2      VAL   6  -1.124  -1.797   0.617
   52   2HG2  VAL   6          2HG2      VAL   6  -1.560  -1.311   2.255
   53   3HG2  VAL   6          3HG2      VAL   6  -1.780  -0.187   0.914
   54    H    ASN   7           H        ASN   7  -6.583  -0.495   0.851
   55    HA   ASN   7           HA       ASN   7  -7.770  -2.877   2.225
   56   1HB   ASN   7          2HB       ASN   7  -9.942  -1.301   1.773
   57   2HB   ASN   7          1HB       ASN   7  -9.026  -1.289   3.277
   58   1HD2  ASN   7          1HD2      ASN   7  -7.498   0.510   3.621
   59   2HD2  ASN   7          2HD2      ASN   7  -7.608   1.930   2.698
   60    H    ASP   8           H        ASP   8  -8.319  -4.411   0.793
   61    HA   ASP   8           HA       ASP   8  -8.583  -3.817  -2.059
   62   1HB   ASP   8          2HB       ASP   8  -7.621  -5.970  -0.891
   63   2HB   ASP   8          1HB       ASP   8  -9.311  -6.465  -0.827
   64    H    ARG   9           H        ARG   9 -10.483  -3.811  -3.256
   65    HA   ARG   9           HA       ARG   9 -12.937  -3.150  -1.923
   66   1HB   ARG   9          2HB       ARG   9 -12.030  -2.841  -4.469
   67   2HB   ARG   9          1HB       ARG   9 -13.133  -4.199  -4.689
   68   1HG   ARG   9          2HG       ARG   9 -14.597  -2.411  -4.949
   69   2HG   ARG   9          1HG       ARG   9 -14.756  -2.712  -3.219
   70   1HD   ARG   9          2HD       ARG   9 -12.561  -0.885  -4.037
   71   2HD   ARG   9          1HD       ARG   9 -14.201  -0.269  -4.233
   72    HE   ARG   9           HE       ARG   9 -14.426  -1.046  -1.723
   73   1HH1  ARG   9          1HH2      ARG   9 -13.290   1.725  -2.380
   74   2HH1  ARG   9          2HH2      ARG   9 -11.902   1.765  -1.345
   75   1HH2  ARG   9          2HH1      ARG   9 -11.913  -1.665  -0.763
   76   2HH2  ARG   9          1HH1      ARG   9 -11.119  -0.164  -0.426
   77    H    LEU  10           H        LEU  10 -11.651  -6.193  -3.204
   78    HA   LEU  10           HA       LEU  10 -14.079  -7.716  -3.056
   79   1HB   LEU  10          2HB       LEU  10 -11.150  -8.393  -3.070
   80   2HB   LEU  10          1HB       LEU  10 -12.325  -9.654  -2.698
   81    HG   LEU  10           HG       LEU  10 -13.039  -8.004  -5.032
   82   1HD1  LEU  10          1HD1      LEU  10 -11.284  -8.485  -6.425
   83   2HD1  LEU  10          2HD1      LEU  10 -10.930 -10.015  -5.621
   84   3HD1  LEU  10          3HD1      LEU  10 -10.381  -8.497  -4.910
   85   1HD2  LEU  10          1HD2      LEU  10 -13.564 -10.225  -5.947
   86   2HD2  LEU  10          2HD2      LEU  10 -14.222 -10.071  -4.319
   87   3HD2  LEU  10          3HD2      LEU  10 -12.744 -10.994  -4.589
   88    H    GLY  11           H        GLY  11 -11.418  -7.240  -0.703
   89   1HA   GLY  11          2HA       GLY  11 -12.637  -6.932   1.655
   90   2HA   GLY  11          1HA       GLY  11 -13.000  -8.636   1.382
   91    H    LYS  12           H        LYS  12 -10.152  -6.448   1.239
   92    HA   LYS  12           HA       LYS  12  -8.664  -8.354   2.947
   93   1HB   LYS  12          2HB       LYS  12  -8.379  -8.619   0.250
   94   2HB   LYS  12          1HB       LYS  12  -7.120  -7.433   0.590
   95   1HG   LYS  12          2HG       LYS  12  -6.096  -9.593   0.826
   96   2HG   LYS  12          1HG       LYS  12  -6.333  -8.966   2.457
   97   1HD   LYS  12          2HD       LYS  12  -7.681 -10.687   2.993
   98   2HD   LYS  12          1HD       LYS  12  -8.694 -10.393   1.586
   99   1HE   LYS  12          2HE       LYS  12  -6.421 -11.500   0.466
  100   2HE   LYS  12          1HE       LYS  12  -6.580 -12.391   1.978
  101   1HZ   LYS  12          1HZ       LYS  12  -8.053 -13.613   0.858
  102   2HZ   LYS  12          2HZ       LYS  12  -8.230 -12.466  -0.384
  103   3HZ   LYS  12          3HZ       LYS  12  -9.122 -12.311   1.056
  104    H    LYS  13           H        LYS  13  -8.344  -6.859   4.560
  105    HA   LYS  13           HA       LYS  13  -7.228  -4.195   3.831
  106   1HB   LYS  13          2HB       LYS  13  -8.835  -5.261   6.093
  107   2HB   LYS  13          1HB       LYS  13  -7.627  -4.045   6.513
  108   1HG   LYS  13          2HG       LYS  13  -9.266  -2.574   5.921
  109   2HG   LYS  13          1HG       LYS  13  -8.712  -2.918   4.283
  110   1HD   LYS  13          2HD       LYS  13 -10.691  -4.821   5.423
  111   2HD   LYS  13          1HD       LYS  13 -11.290  -3.205   5.046
  112   1HE   LYS  13          2HE       LYS  13  -9.866  -3.680   2.800
  113   2HE   LYS  13          1HE       LYS  13 -10.307  -5.334   3.217
  114   1HZ   LYS  13          1HZ       LYS  13 -12.011  -4.464   1.848
  115   2HZ   LYS  13          2HZ       LYS  13 -12.133  -3.041   2.769
  116   3HZ   LYS  13          3HZ       LYS  13 -12.639  -4.527   3.423
  117    H    VAL  14           H        VAL  14  -5.037  -4.529   3.544
  118    HA   VAL  14           HA       VAL  14  -3.555  -5.763   5.837
  119    HB   VAL  14           HB       VAL  14  -2.697  -5.751   2.923
  120   1HG1  VAL  14          1HG1      VAL  14  -1.392  -7.780   4.301
  121   2HG1  VAL  14          2HG1      VAL  14  -1.422  -6.458   5.467
  122   3HG1  VAL  14          3HG1      VAL  14  -0.696  -6.216   3.880
  123   1HG2  VAL  14          1HG2      VAL  14  -3.323  -8.106   2.886
  124   2HG2  VAL  14          2HG2      VAL  14  -4.729  -7.163   3.373
  125   3HG2  VAL  14          3HG2      VAL  14  -3.798  -8.046   4.582
  126    H    ARG  15           H        ARG  15  -1.809  -4.603   6.638
  127    HA   ARG  15           HA       ARG  15  -1.450  -1.855   5.544
  128   1HB   ARG  15          2HB       ARG  15  -0.488  -1.303   7.741
  129   2HB   ARG  15          1HB       ARG  15  -2.089  -2.014   7.927
  130   1HG   ARG  15          2HG       ARG  15  -1.254  -3.681   9.185
  131   2HG   ARG  15          1HG       ARG  15  -0.103  -4.111   7.920
  132   1HD   ARG  15          2HD       ARG  15   0.906  -1.734   9.010
  133   2HD   ARG  15          1HD       ARG  15   0.347  -2.662  10.402
  134    HE   ARG  15           HE       ARG  15   1.786  -4.556   9.486
  135   1HH1  ARG  15          1HH2      ARG  15   3.394  -2.260  10.664
  136   2HH1  ARG  15          2HH2      ARG  15   4.603  -2.034   9.445
  137   1HH2  ARG  15          2HH1      ARG  15   2.883  -3.855   7.035
  138   2HH2  ARG  15          1HH1      ARG  15   4.312  -2.939   7.381
  139    H    VAL  16           H        VAL  16   0.663  -1.064   5.100
  140    HA   VAL  16           HA       VAL  16   2.955  -2.900   5.356
  141    HB   VAL  16           HB       VAL  16   1.786  -3.527   3.223
  142   1HG1  VAL  16          1HG1      VAL  16   2.714  -0.835   2.197
  143   2HG1  VAL  16          2HG1      VAL  16   1.066  -1.113   2.760
  144   3HG1  VAL  16          3HG1      VAL  16   1.690  -2.015   1.380
  145   1HG2  VAL  16          1HG2      VAL  16   3.792  -3.782   2.017
  146   2HG2  VAL  16          2HG2      VAL  16   4.355  -3.588   3.677
  147   3HG2  VAL  16          3HG2      VAL  16   4.425  -2.227   2.557
  148    H    LYS  17           H        LYS  17   4.911  -1.779   5.433
  149    HA   LYS  17           HA       LYS  17   4.676   1.188   5.387
  150   1HB   LYS  17          2HB       LYS  17   6.663   1.232   6.769
  151   2HB   LYS  17          1HB       LYS  17   5.536   0.067   7.456
  152   1HG   LYS  17          2HG       LYS  17   6.771  -1.788   6.538
  153   2HG   LYS  17          1HG       LYS  17   7.793  -0.709   5.587
  154   1HD   LYS  17          2HD       LYS  17   8.907   0.117   7.511
  155   2HD   LYS  17          1HD       LYS  17   7.668  -0.509   8.598
  156   1HE   LYS  17          2HE       LYS  17   8.762  -2.670   7.031
  157   2HE   LYS  17          1HE       LYS  17  10.066  -1.789   7.822
  158   1HZ   LYS  17          1HZ       LYS  17   9.372  -3.375   9.366
  159   2HZ   LYS  17          2HZ       LYS  17   7.724  -3.101   9.063
  160   3HZ   LYS  17          3HZ       LYS  17   8.642  -1.935   9.892
  161    H    CYS  18           H        CYS  18   6.273   2.469   4.314
  162    HA   CYS  18           HA       CYS  18   8.294   1.265   2.588
  163   1HB   CYS  18          2HB       CYS  18   7.288   2.065   0.455
  164   2HB   CYS  18          1HB       CYS  18   6.293   0.830   1.223
  165    HG   CYS  18           HG       CYS  18   5.502   3.767   0.831
  166    H    LEU  19           H        LEU  19   8.286   3.577   0.733
  167    HA   LEU  19           HA       LEU  19   8.762   5.853   2.601
  168   1HB   LEU  19          2HB       LEU  19  10.690   4.610   0.648
  169   2HB   LEU  19          1HB       LEU  19  10.808   6.324   1.040
  170    HG   LEU  19           HG       LEU  19  10.469   4.816   3.471
  171   1HD1  LEU  19          1HD1      LEU  19  12.946   3.840   3.107
  172   2HD1  LEU  19          2HD1      LEU  19  12.362   3.717   1.446
  173   3HD1  LEU  19          3HD1      LEU  19  11.507   2.891   2.752
  174   1HD2  LEU  19          1HD2      LEU  19  12.849   6.348   2.372
  175   2HD2  LEU  19          2HD2      LEU  19  12.541   5.975   4.068
  176   3HD2  LEU  19          3HD2      LEU  19  11.476   7.084   3.202
  177    H    ALA  20           H        ALA  20   8.512   7.932   1.598
  178    HA   ALA  20           HA       ALA  20   6.548   8.104  -0.468
  179   1HB   ALA  20          1HB       ALA  20   6.566  10.323   0.019
  180   2HB   ALA  20          2HB       ALA  20   8.306  10.451  -0.242
  181   3HB   ALA  20          3HB       ALA  20   7.686   9.888   1.309
  182    H    GLU  21           H        GLU  21  10.071   8.101  -0.565
  183    HA   GLU  21           HA       GLU  21  10.207   8.799  -3.408
  184   1HB   GLU  21          2HB       GLU  21  12.628   8.295  -3.154
  185   2HB   GLU  21          1HB       GLU  21  12.059   9.425  -1.929
  186   1HG   GLU  21          2HG       GLU  21  11.719   6.701  -1.002
  187   2HG   GLU  21          1HG       GLU  21  13.390   6.972  -1.494
  188    H    ASP  22           H        ASP  22   9.744   5.916  -1.553
  189    HA   ASP  22           HA       ASP  22  10.883   3.952  -3.270
  190   1HB   ASP  22          2HB       ASP  22   9.972   3.541  -0.958
  191   2HB   ASP  22          1HB       ASP  22   8.347   3.687  -1.623
  192    H    SER  23           H        SER  23   9.988   2.798  -5.042
  193    HA   SER  23           HA       SER  23   7.917   4.279  -6.524
  194   1HB   SER  23          2HB       SER  23  10.166   3.196  -7.430
  195   2HB   SER  23          1HB       SER  23   9.149   1.767  -7.578
  196    HG   SER  23           HG       SER  23   8.740   2.765  -9.431
  197    H    VAL  24           H        VAL  24   6.109   3.111  -7.561
  198    HA   VAL  24           HA       VAL  24   4.574   1.580  -5.696
  199    HB   VAL  24           HB       VAL  24   4.254   1.848  -8.702
  200   1HG1  VAL  24          1HG1      VAL  24   2.842   0.239  -6.764
  201   2HG1  VAL  24          2HG1      VAL  24   2.581   0.356  -8.504
  202   3HG1  VAL  24          3HG1      VAL  24   1.765   1.475  -7.413
  203   1HG2  VAL  24          1HG2      VAL  24   3.181   3.413  -6.342
  204   2HG2  VAL  24          2HG2      VAL  24   2.462   3.506  -7.950
  205   3HG2  VAL  24          3HG2      VAL  24   4.129   4.021  -7.699
  206    H    GLY  25           H        GLY  25   6.756   0.626  -8.319
  207   1HA   GLY  25          2HA       GLY  25   6.034  -2.128  -8.511
  208   2HA   GLY  25          1HA       GLY  25   7.630  -1.476  -8.895
  209    H    ASP  26           H        ASP  26   8.559  -0.540  -6.528
  210    HA   ASP  26           HA       ASP  26   9.314  -2.920  -5.094
  211   1HB   ASP  26          2HB       ASP  26  10.244  -0.304  -5.234
  212   2HB   ASP  26          1HB       ASP  26   9.608  -0.416  -3.594
  213    H    PHE  27           H        PHE  27   6.863  -0.428  -4.579
  214    HA   PHE  27           HA       PHE  27   6.107  -1.108  -1.907
  215   1HB   PHE  27          2HB       PHE  27   5.399   0.967  -3.103
  216   2HB   PHE  27          1HB       PHE  27   4.365  -0.013  -4.141
  217    HD1  PHE  27           HD1      PHE  27   4.863   1.292  -0.730
  218    HD2  PHE  27           HD2      PHE  27   2.330  -1.050  -3.286
  219    HE1  PHE  27           HE1      PHE  27   3.068   1.372   0.971
  220    HE2  PHE  27           HE2      PHE  27   0.533  -0.967  -1.584
  221    HZ   PHE  27           HZ       PHE  27   0.901   0.244   0.546
  222    H    LYS  28           H        LYS  28   4.902  -2.250  -5.073
  223    HA   LYS  28           HA       LYS  28   2.907  -4.026  -4.003
  224   1HB   LYS  28          2HB       LYS  28   4.342  -3.875  -6.660
  225   2HB   LYS  28          1HB       LYS  28   3.147  -5.127  -6.316
  226   1HG   LYS  28          2HG       LYS  28   1.657  -3.102  -5.548
  227   2HG   LYS  28          1HG       LYS  28   2.760  -2.156  -6.548
  228   1HD   LYS  28          2HD       LYS  28   1.909  -4.586  -7.909
  229   2HD   LYS  28          1HD       LYS  28   0.532  -3.588  -7.443
  230   1HE   LYS  28          2HE       LYS  28   2.731  -1.998  -8.531
  231   2HE   LYS  28          1HE       LYS  28   2.136  -3.195  -9.680
  232   1HZ   LYS  28          1HZ       LYS  28  -0.103  -2.380  -9.335
  233   2HZ   LYS  28          2HZ       LYS  28   0.912  -1.114  -9.836
  234   3HZ   LYS  28          3HZ       LYS  28   0.453  -1.241  -8.206
  235    H    LYS  29           H        LYS  29   6.369  -4.372  -4.593
  236    HA   LYS  29           HA       LYS  29   6.461  -7.252  -4.399
  237   1HB   LYS  29          2HB       LYS  29   8.526  -5.072  -4.048
  238   2HB   LYS  29          1HB       LYS  29   8.921  -6.773  -3.798
  239   1HG   LYS  29          2HG       LYS  29   8.093  -7.276  -6.091
  240   2HG   LYS  29          1HG       LYS  29   7.800  -5.554  -6.339
  241   1HD   LYS  29          2HD       LYS  29  10.403  -5.577  -5.425
  242   2HD   LYS  29          1HD       LYS  29  10.333  -7.047  -6.399
  243   1HE   LYS  29          2HE       LYS  29  10.100  -5.895  -8.350
  244   2HE   LYS  29          1HE       LYS  29   9.030  -4.696  -7.625
  245   1HZ   LYS  29          1HZ       LYS  29  10.845  -3.406  -7.903
  246   2HZ   LYS  29          2HZ       LYS  29  11.935  -4.708  -7.849
  247   3HZ   LYS  29          3HZ       LYS  29  11.292  -4.074  -6.410
  248    H    VAL  30           H        VAL  30   6.880  -4.623  -2.020
  249    HA   VAL  30           HA       VAL  30   7.451  -6.382   0.207
  250    HB   VAL  30           HB       VAL  30   6.345  -3.551   0.228
  251   1HG1  VAL  30          1HG1      VAL  30   6.065  -4.742   2.373
  252   2HG1  VAL  30          2HG1      VAL  30   7.288  -3.481   2.511
  253   3HG1  VAL  30          3HG1      VAL  30   7.776  -5.169   2.361
  254   1HG2  VAL  30          1HG2      VAL  30   9.190  -4.610   0.327
  255   2HG2  VAL  30          2HG2      VAL  30   8.738  -2.930   0.616
  256   3HG2  VAL  30          3HG2      VAL  30   8.476  -3.654  -0.969
  257    H    LEU  31           H        LEU  31   4.482  -4.824  -1.012
  258    HA   LEU  31           HA       LEU  31   2.756  -5.791   1.083
  259   1HB   LEU  31          2HB       LEU  31   2.203  -3.896  -0.466
  260   2HB   LEU  31          1HB       LEU  31   2.020  -5.066  -1.772
  261    HG   LEU  31           HG       LEU  31   0.294  -6.248  -0.344
  262   1HD1  LEU  31          1HD1      LEU  31   0.886  -5.387   1.843
  263   2HD1  LEU  31          2HD1      LEU  31  -0.734  -4.808   1.455
  264   3HD1  LEU  31          3HD1      LEU  31   0.648  -3.726   1.303
  265   1HD2  LEU  31          1HD2      LEU  31  -0.477  -4.855  -2.144
  266   2HD2  LEU  31          2HD2      LEU  31  -0.138  -3.384  -1.234
  267   3HD2  LEU  31          3HD2      LEU  31  -1.458  -4.444  -0.738
  268    H    SER  32           H        SER  32   3.659  -7.068  -2.111
  269    HA   SER  32           HA       SER  32   1.876  -9.238  -2.332
  270   1HB   SER  32          2HB       SER  32   3.383  -8.614  -4.146
  271   2HB   SER  32          1HB       SER  32   4.785  -9.052  -3.176
  272    HG   SER  32           HG       SER  32   4.505 -10.950  -4.031
  273    H    LEU  33           H        LEU  33   4.738  -8.922  -0.281
  274    HA   LEU  33           HA       LEU  33   5.061 -11.715   0.320
  275   1HB   LEU  33          2HB       LEU  33   5.896  -9.162   1.688
  276   2HB   LEU  33          1HB       LEU  33   6.168 -10.723   2.461
  277    HG   LEU  33           HG       LEU  33   6.989 -10.429  -0.398
  278   1HD1  LEU  33          1HD1      LEU  33   9.122  -9.424   0.228
  279   2HD1  LEU  33          2HD1      LEU  33   8.636  -9.379   1.923
  280   3HD1  LEU  33          3HD1      LEU  33   7.811  -8.361   0.743
  281   1HD2  LEU  33          1HD2      LEU  33   7.506 -12.151   1.923
  282   2HD2  LEU  33          2HD2      LEU  33   8.981 -11.670   1.086
  283   3HD2  LEU  33          3HD2      LEU  33   7.699 -12.498   0.205
  284    H    GLN  34           H        GLN  34   3.062  -9.157   1.766
  285    HA   GLN  34           HA       GLN  34   2.164 -10.886   3.956
  286   1HB   GLN  34          2HB       GLN  34   1.368  -8.122   3.024
  287   2HB   GLN  34          1HB       GLN  34   0.564  -8.940   4.364
  288   1HG   GLN  34          2HG       GLN  34   2.629  -9.087   5.609
  289   2HG   GLN  34          1HG       GLN  34   3.559  -8.504   4.228
  290   1HE2  GLN  34          1HE2      GLN  34   3.055  -6.198   3.505
  291   2HE2  GLN  34          2HE2      GLN  34   2.554  -5.081   4.682
  292    H    ILE  35           H        ILE  35   0.578  -9.442   1.067
  293    HA   ILE  35           HA       ILE  35  -1.860 -10.982   1.507
  294    HB   ILE  35           HB       ILE  35  -2.502 -10.130  -0.777
  295   1HG1  ILE  35          2HG1      ILE  35   0.144  -8.661  -0.574
  296   2HG1  ILE  35          1HG1      ILE  35  -0.178  -9.993  -1.680
  297   1HG2  ILE  35          1HG2      ILE  35  -1.496  -7.788   0.778
  298   2HG2  ILE  35          2HG2      ILE  35  -2.627  -8.889   1.564
  299   3HG2  ILE  35          3HG2      ILE  35  -3.088  -8.070   0.072
  300   1HD1  ILE  35          1HD1      ILE  35  -0.983  -7.173  -1.859
  301   2HD1  ILE  35          2HD1      ILE  35  -2.305  -8.302  -2.158
  302   3HD1  ILE  35          3HD1      ILE  35  -0.838  -8.384  -3.132
  303    H    GLY  36           H        GLY  36   1.093 -11.505  -0.326
  304   1HA   GLY  36          2HA       GLY  36   1.821 -13.415  -1.498
  305   2HA   GLY  36          1HA       GLY  36   0.453 -14.285  -0.791
  306    H    THR  37           H        THR  37   0.624 -11.435  -2.920
  307    HA   THR  37           HA       THR  37  -1.223 -12.834  -4.815
  308    HB   THR  37           HB       THR  37  -0.966  -9.838  -4.499
  309    HG1  THR  37           HG1      THR  37  -2.805 -10.044  -3.121
  310   1HG2  THR  37          1HG2      THR  37  -2.811  -9.709  -5.829
  311   2HG2  THR  37          2HG2      THR  37  -3.511 -11.193  -5.182
  312   3HG2  THR  37          3HG2      THR  37  -2.238 -11.276  -6.399
  313    H    GLN  38           H        GLN  38   1.957 -11.973  -4.546
  314    HA   GLN  38           HA       GLN  38   3.680 -11.733  -6.103
  315   1HB   GLN  38          2HB       GLN  38   1.435 -12.792  -7.724
  316   2HB   GLN  38          1HB       GLN  38   2.686 -11.945  -8.633
  317   1HG   GLN  38          2HG       GLN  38   4.316 -13.489  -8.099
  318   2HG   GLN  38          1HG       GLN  38   3.563 -13.907  -6.558
  319   1HE2  GLN  38          1HE2      GLN  38   1.435 -15.181  -6.746
  320   2HE2  GLN  38          2HE2      GLN  38   1.281 -16.274  -8.036
  321    HA   PRO  39           HA       PRO  39   3.431  -7.493  -7.222
  322   1HB   PRO  39          2HB       PRO  39   5.608  -7.346  -8.901
  323   2HB   PRO  39          1HB       PRO  39   5.724  -7.429  -7.135
  324   1HG   PRO  39          2HG       PRO  39   6.240  -9.569  -9.157
  325   2HG   PRO  39          1HG       PRO  39   6.950  -9.350  -7.549
  326   1HD   PRO  39          2HD       PRO  39   4.916 -11.184  -8.186
  327   2HD   PRO  39          1HD       PRO  39   5.340 -10.646  -6.547
  328    H    ASN  40           H        ASN  40   2.967  -9.983  -9.535
  329    HA   ASN  40           HA       ASN  40   2.400  -8.080 -11.743
  330   1HB   ASN  40          2HB       ASN  40   2.874 -11.027 -11.539
  331   2HB   ASN  40          1HB       ASN  40   1.881 -10.436 -12.873
  332   1HD2  ASN  40          1HD2      ASN  40   5.135 -10.253 -11.431
  333   2HD2  ASN  40          2HD2      ASN  40   5.885  -9.591 -12.804
  334    H    LYS  41           H        LYS  41   0.729  -9.703  -9.214
  335    HA   LYS  41           HA       LYS  41  -1.849  -9.406 -10.703
  336   1HB   LYS  41          2HB       LYS  41  -0.822 -11.648  -9.388
  337   2HB   LYS  41          1HB       LYS  41  -2.020 -10.997  -8.271
  338   1HG   LYS  41          2HG       LYS  41  -2.987 -10.933 -11.017
  339   2HG   LYS  41          1HG       LYS  41  -2.542 -12.567 -10.525
  340   1HD   LYS  41          2HD       LYS  41  -3.976 -12.435  -8.571
  341   2HD   LYS  41          1HD       LYS  41  -4.322 -10.735  -8.894
  342   1HE   LYS  41          2HE       LYS  41  -5.799 -11.214 -10.576
  343   2HE   LYS  41          1HE       LYS  41  -4.883 -12.618 -11.122
  344   1HZ   LYS  41          1HZ       LYS  41  -6.589 -13.707 -10.169
  345   2HZ   LYS  41          2HZ       LYS  41  -6.982 -12.432  -9.116
  346   3HZ   LYS  41          3HZ       LYS  41  -5.695 -13.476  -8.747
  347    H    ILE  42           H        ILE  42  -0.181  -7.482  -8.844
  348    HA   ILE  42           HA       ILE  42  -2.398  -6.887  -6.923
  349    HB   ILE  42           HB       ILE  42   0.537  -6.114  -6.842
  350   1HG1  ILE  42          2HG1      ILE  42  -1.096  -7.705  -4.848
  351   2HG1  ILE  42          1HG1      ILE  42  -0.206  -8.471  -6.164
  352   1HG2  ILE  42          1HG2      ILE  42  -1.861  -5.061  -5.431
  353   2HG2  ILE  42          2HG2      ILE  42  -0.326  -4.268  -5.782
  354   3HG2  ILE  42          3HG2      ILE  42  -0.449  -5.386  -4.425
  355   1HD1  ILE  42          1HD1      ILE  42   0.835  -7.826  -3.671
  356   2HD1  ILE  42          2HD1      ILE  42   1.416  -6.521  -4.703
  357   3HD1  ILE  42          3HD1      ILE  42   1.779  -8.196  -5.112
  358    H    VAL  43           H        VAL  43  -3.489  -4.992  -7.139
  359    HA   VAL  43           HA       VAL  43  -2.406  -2.922  -9.011
  360    HB   VAL  43           HB       VAL  43  -5.306  -3.792  -8.746
  361   1HG1  VAL  43          1HG1      VAL  43  -4.934  -1.363  -9.247
  362   2HG1  VAL  43          2HG1      VAL  43  -5.730  -2.227 -10.562
  363   3HG1  VAL  43          3HG1      VAL  43  -4.014  -1.838 -10.674
  364   1HG2  VAL  43          1HG2      VAL  43  -4.145  -5.484  -9.979
  365   2HG2  VAL  43          2HG2      VAL  43  -3.195  -4.287 -10.859
  366   3HG2  VAL  43          3HG2      VAL  43  -4.919  -4.458 -11.185
  367    H    LEU  44           H        LEU  44  -2.052  -1.097  -7.839
  368    HA   LEU  44           HA       LEU  44  -3.601  -0.672  -5.334
  369   1HB   LEU  44          2HB       LEU  44  -1.031   0.500  -6.408
  370   2HB   LEU  44          1HB       LEU  44  -1.852   1.168  -4.998
  371    HG   LEU  44           HG       LEU  44  -1.443  -1.776  -5.008
  372   1HD1  LEU  44          1HD1      LEU  44   0.706  -0.805  -5.906
  373   2HD1  LEU  44          2HD1      LEU  44   0.879  -1.631  -4.357
  374   3HD1  LEU  44          3HD1      LEU  44   0.836   0.131  -4.417
  375   1HD2  LEU  44          1HD2      LEU  44  -2.443  -0.145  -3.188
  376   2HD2  LEU  44          2HD2      LEU  44  -0.747   0.150  -2.807
  377   3HD2  LEU  44          3HD2      LEU  44  -1.407  -1.481  -2.692
  378    H    GLN  45           H        GLN  45  -4.765   1.250  -4.960
  379    HA   GLN  45           HA       GLN  45  -5.141   3.025  -7.336
  380   1HB   GLN  45          2HB       GLN  45  -7.360   2.300  -5.415
  381   2HB   GLN  45          1HB       GLN  45  -7.500   3.108  -6.973
  382   1HG   GLN  45          2HG       GLN  45  -6.222   0.425  -7.007
  383   2HG   GLN  45          1HG       GLN  45  -7.947   0.460  -6.651
  384   1HE2  GLN  45          1HE2      GLN  45  -9.342   1.682  -8.282
  385   2HE2  GLN  45          2HE2      GLN  45  -8.845   1.700  -9.905
  386    H    LYS  46           H        LYS  46  -5.255   5.220  -6.892
  387    HA   LYS  46           HA       LYS  46  -5.156   6.028  -4.014
  388   1HB   LYS  46          2HB       LYS  46  -2.891   6.103  -5.091
  389   2HB   LYS  46          1HB       LYS  46  -3.527   7.267  -6.254
  390   1HG   LYS  46          2HG       LYS  46  -3.157   8.931  -4.788
  391   2HG   LYS  46          1HG       LYS  46  -4.262   8.166  -3.646
  392   1HD   LYS  46          2HD       LYS  46  -2.161   6.589  -3.216
  393   2HD   LYS  46          1HD       LYS  46  -1.280   8.001  -3.799
  394   1HE   LYS  46          2HE       LYS  46  -1.663   9.142  -1.887
  395   2HE   LYS  46          1HE       LYS  46  -3.376   8.725  -1.899
  396   1HZ   LYS  46          1HZ       LYS  46  -2.967   6.716  -0.812
  397   2HZ   LYS  46          2HZ       LYS  46  -1.977   7.833  -0.001
  398   3HZ   LYS  46          3HZ       LYS  46  -1.301   6.762  -1.133
  399    H    GLY  47           H        GLY  47  -7.337   6.698  -4.032
  400   1HA   GLY  47          2HA       GLY  47  -9.079   8.244  -4.314
  401   2HA   GLY  47          1HA       GLY  47  -7.870   9.361  -4.945
  402    H    GLY  48           H        GLY  48  -9.122   6.215  -6.120
  403   1HA   GLY  48          2HA       GLY  48 -10.103   5.639  -8.172
  404   2HA   GLY  48          1HA       GLY  48 -10.532   7.339  -8.364
  405    H    SER  49           H        SER  49  -7.343   5.743  -8.098
  406    HA   SER  49           HA       SER  49  -6.711   6.445 -10.901
  407   1HB   SER  49          2HB       SER  49  -6.070   8.282  -8.989
  408   2HB   SER  49          1HB       SER  49  -4.621   7.281  -8.972
  409    HG   SER  49           HG       SER  49  -5.260   9.139 -10.703
  410    H    VAL  50           H        VAL  50  -5.435   4.849 -11.772
  411    HA   VAL  50           HA       VAL  50  -4.630   2.623 -10.055
  412    HB   VAL  50           HB       VAL  50  -5.549   2.278 -12.348
  413   1HG1  VAL  50          1HG1      VAL  50  -3.787   4.287 -13.078
  414   2HG1  VAL  50          2HG1      VAL  50  -4.645   3.227 -14.195
  415   3HG1  VAL  50          3HG1      VAL  50  -3.000   2.834 -13.694
  416   1HG2  VAL  50          1HG2      VAL  50  -4.479   0.319 -11.971
  417   2HG2  VAL  50          2HG2      VAL  50  -3.084   1.128 -11.259
  418   3HG2  VAL  50          3HG2      VAL  50  -3.198   0.947 -13.008
  419    H    LEU  51           H        LEU  51  -2.658   2.286  -9.187
  420    HA   LEU  51           HA       LEU  51  -0.489   4.208  -9.819
  421   1HB   LEU  51          2HB       LEU  51  -0.390   2.039  -7.712
  422   2HB   LEU  51          1HB       LEU  51   0.537   3.536  -7.780
  423    HG   LEU  51           HG       LEU  51  -2.446   3.283  -7.282
  424   1HD1  LEU  51          1HD1      LEU  51  -0.059   3.987  -5.579
  425   2HD1  LEU  51          2HD1      LEU  51  -1.328   2.806  -5.259
  426   3HD1  LEU  51          3HD1      LEU  51  -1.679   4.529  -5.147
  427   1HD2  LEU  51          1HD2      LEU  51  -2.665   5.574  -7.476
  428   2HD2  LEU  51          2HD2      LEU  51  -1.386   5.325  -8.663
  429   3HD2  LEU  51          3HD2      LEU  51  -0.985   5.877  -7.038
  430    H    LYS  52           H        LYS  52   1.419   3.574 -10.816
  431    HA   LYS  52           HA       LYS  52   1.585   0.707 -11.665
  432   1HB   LYS  52          2HB       LYS  52   1.574   3.174 -13.208
  433   2HB   LYS  52          1HB       LYS  52   3.022   2.217 -13.527
  434   1HG   LYS  52          2HG       LYS  52   1.673   0.262 -14.049
  435   2HG   LYS  52          1HG       LYS  52   0.197   1.116 -13.598
  436   1HD   LYS  52          2HD       LYS  52   1.358   2.827 -15.440
  437   2HD   LYS  52          1HD       LYS  52   1.723   1.232 -16.096
  438   1HE   LYS  52          2HE       LYS  52  -0.724   0.648 -15.744
  439   2HE   LYS  52          1HE       LYS  52  -0.998   2.351 -15.387
  440   1HZ   LYS  52          1HZ       LYS  52  -0.484   2.977 -17.528
  441   2HZ   LYS  52          2HZ       LYS  52  -1.282   1.499 -17.790
  442   3HZ   LYS  52          3HZ       LYS  52   0.415   1.577 -17.852
  443    H    ASP  53           H        ASP  53   3.674  -0.215 -11.781
  444    HA   ASP  53           HA       ASP  53   5.539   0.599  -9.796
  445   1HB   ASP  53          2HB       ASP  53   7.048  -1.095 -10.774
  446   2HB   ASP  53          1HB       ASP  53   5.410  -1.722 -10.607
  447    H    HIS  54           H        HIS  54   5.324   1.392 -13.223
  448    HA   HIS  54           HA       HIS  54   7.973   2.426 -13.566
  449   1HB   HIS  54          2HB       HIS  54   5.382   3.151 -14.963
  450   2HB   HIS  54          1HB       HIS  54   6.985   3.644 -15.510
  451    HD1  HIS  54           HD1      HIS  54   8.700   1.540 -15.936
  452    HD2  HIS  54           HD2      HIS  54   4.627   0.652 -15.894
  453    HE1  HIS  54           HE1      HIS  54   8.452  -0.732 -17.026
  454    H    ILE  55           H        ILE  55   5.188   3.751 -11.932
  455    HA   ILE  55           HA       ILE  55   6.475   6.443 -11.860
  456    HB   ILE  55           HB       ILE  55   3.653   5.570 -11.161
  457   1HG1  ILE  55          2HG1      ILE  55   3.425   7.424 -13.122
  458   2HG1  ILE  55          1HG1      ILE  55   4.993   6.741 -13.551
  459   1HG2  ILE  55          1HG2      ILE  55   4.143   7.392  -9.713
  460   2HG2  ILE  55          2HG2      ILE  55   3.328   8.126 -11.094
  461   3HG2  ILE  55          3HG2      ILE  55   5.084   8.225 -10.950
  462   1HD1  ILE  55          1HD1      ILE  55   2.317   5.552 -13.767
  463   2HD1  ILE  55          2HD1      ILE  55   3.494   4.486 -13.003
  464   3HD1  ILE  55          3HD1      ILE  55   3.805   5.131 -14.614
  465    H    SER  56           H        SER  56   7.071   7.358  -9.892
  466    HA   SER  56           HA       SER  56   7.508   5.495  -7.688
  467   1HB   SER  56          2HB       SER  56   8.926   7.617  -8.583
  468   2HB   SER  56          1HB       SER  56   8.020   8.391  -7.285
  469    HG   SER  56           HG       SER  56   9.590   7.546  -6.134
  470    H    LEU  57           H        LEU  57   6.791   5.903  -5.479
  471    HA   LEU  57           HA       LEU  57   4.000   6.442  -5.234
  472   1HB   LEU  57          2HB       LEU  57   6.229   6.304  -3.191
  473   2HB   LEU  57          1HB       LEU  57   4.545   6.559  -2.735
  474    HG   LEU  57           HG       LEU  57   5.336   4.259  -4.521
  475   1HD1  LEU  57          1HD1      LEU  57   6.686   3.812  -2.637
  476   2HD1  LEU  57          2HD1      LEU  57   5.197   2.926  -2.300
  477   3HD1  LEU  57          3HD1      LEU  57   5.499   4.479  -1.517
  478   1HD2  LEU  57          1HD2      LEU  57   2.908   5.138  -4.057
  479   2HD2  LEU  57          2HD2      LEU  57   3.112   4.351  -2.492
  480   3HD2  LEU  57          3HD2      LEU  57   3.219   3.405  -3.977
  481    H    GLU  58           H        GLU  58   6.838   8.527  -4.785
  482    HA   GLU  58           HA       GLU  58   5.592  10.734  -3.517
  483   1HB   GLU  58          2HB       GLU  58   8.092  10.360  -4.041
  484   2HB   GLU  58          1HB       GLU  58   7.732  11.039  -5.628
  485   1HG   GLU  58          2HG       GLU  58   8.444  12.885  -4.293
  486   2HG   GLU  58          1HG       GLU  58   6.688  13.021  -4.388
  487    H    ASP  59           H        ASP  59   5.673   9.805  -6.945
  488    HA   ASP  59           HA       ASP  59   4.567  12.227  -8.013
  489   1HB   ASP  59          2HB       ASP  59   4.361   9.369  -9.015
  490   2HB   ASP  59          1HB       ASP  59   3.897  10.791  -9.949
  491    H    TYR  60           H        TYR  60   3.039   9.195  -6.911
  492    HA   TYR  60           HA       TYR  60   0.330  10.145  -7.375
  493   1HB   TYR  60          2HB       TYR  60   1.426   7.820  -5.766
  494   2HB   TYR  60          1HB       TYR  60  -0.295   8.120  -6.010
  495    HD1  TYR  60           HD1      TYR  60   2.422   6.303  -7.223
  496    HD2  TYR  60           HD2      TYR  60  -0.889   8.665  -8.611
  497    HE1  TYR  60           HE1      TYR  60   2.530   5.166  -9.424
  498    HE2  TYR  60           HE2      TYR  60  -0.778   7.529 -10.811
  499    HH   TYR  60           HH       TYR  60   1.157   6.298 -12.149
  500    H    GLU  61           H        GLU  61   2.655  10.643  -4.888
  501    HA   GLU  61           HA       GLU  61   2.552  12.024  -3.007
  502   1HB   GLU  61          2HB       GLU  61   0.353  12.882  -4.420
  503   2HB   GLU  61          1HB       GLU  61  -0.377  12.343  -2.909
  504   1HG   GLU  61          2HG       GLU  61   0.225  14.656  -2.615
  505   2HG   GLU  61          1HG       GLU  61   1.381  13.699  -1.689
  506    H    VAL  62           H        VAL  62   3.017   9.695  -2.281
  507    HA   VAL  62           HA       VAL  62   0.847   8.702  -0.476
  508    HB   VAL  62           HB       VAL  62   3.313   7.259  -1.513
  509   1HG1  VAL  62          1HG1      VAL  62   0.922   6.043  -0.125
  510   2HG1  VAL  62          2HG1      VAL  62   2.317   6.619   0.785
  511   3HG1  VAL  62          3HG1      VAL  62   2.511   5.328  -0.400
  512   1HG2  VAL  62          1HG2      VAL  62   1.969   7.249  -3.387
  513   2HG2  VAL  62          2HG2      VAL  62   0.490   7.482  -2.456
  514   3HG2  VAL  62          3HG2      VAL  62   1.238   5.888  -2.536
  515    H    HIS  63           H        HIS  63   1.135   9.394   1.587
  516    HA   HIS  63           HA       HIS  63   3.940   9.664   2.604
  517   1HB   HIS  63          2HB       HIS  63   1.486  11.352   3.138
  518   2HB   HIS  63          1HB       HIS  63   2.915  11.410   4.171
  519    HD1  HIS  63           HD1      HIS  63   1.701  12.309   0.737
  520    HD2  HIS  63           HD2      HIS  63   5.214  12.595   2.964
  521    HE1  HIS  63           HE1      HIS  63   3.251  13.835  -0.562
  522    H    ASP  64           H        ASP  64   3.590   9.881   5.253
  523    HA   ASP  64           HA       ASP  64   2.931   7.207   6.086
  524   1HB   ASP  64          2HB       ASP  64   3.402   8.002   8.354
  525   2HB   ASP  64          1HB       ASP  64   4.620   8.617   7.239
  526    H    GLN  65           H        GLN  65   1.184   6.445   7.292
  527    HA   GLN  65           HA       GLN  65  -1.048   6.263   7.942
  528   1HB   GLN  65          2HB       GLN  65  -0.768   9.245   8.435
  529   2HB   GLN  65          1HB       GLN  65  -2.022   8.198   9.098
  530   1HG   GLN  65          2HG       GLN  65   0.946   7.805   9.583
  531   2HG   GLN  65          1HG       GLN  65  -0.136   8.637  10.700
  532   1HE2  GLN  65          1HE2      GLN  65   0.954   5.508   9.636
  533   2HE2  GLN  65          2HE2      GLN  65  -0.085   4.586  10.611
  534    H    THR  66           H        THR  66  -0.570   6.609   5.136
  535    HA   THR  66           HA       THR  66  -2.828   8.351   4.264
  536    HB   THR  66           HB       THR  66  -0.516   8.497   3.164
  537    HG1  THR  66           HG1      THR  66  -1.785   9.372   1.764
  538   1HG2  THR  66          1HG2      THR  66  -1.451   5.866   1.985
  539   2HG2  THR  66          2HG2      THR  66  -0.057   6.090   3.040
  540   3HG2  THR  66          3HG2      THR  66  -0.063   6.797   1.424
  541    H    ASN  67           H        ASN  67  -4.394   7.432   2.709
  542    HA   ASN  67           HA       ASN  67  -4.925   4.564   3.317
  543   1HB   ASN  67          2HB       ASN  67  -6.629   6.538   3.661
  544   2HB   ASN  67          1HB       ASN  67  -6.889   6.360   1.925
  545   1HD2  ASN  67          1HD2      ASN  67  -7.150   4.648   5.045
  546   2HD2  ASN  67          2HD2      ASN  67  -8.179   3.425   4.475
  547    H    LEU  68           H        LEU  68  -4.788   3.042   1.750
  548    HA   LEU  68           HA       LEU  68  -4.638   3.932  -1.105
  549   1HB   LEU  68          2HB       LEU  68  -2.745   2.288   0.495
  550   2HB   LEU  68          1HB       LEU  68  -3.092   1.707  -1.133
  551    HG   LEU  68           HG       LEU  68  -2.572   4.618  -0.892
  552   1HD1  LEU  68          1HD1      LEU  68  -0.014   3.790  -1.110
  553   2HD1  LEU  68          2HD1      LEU  68  -0.630   2.530  -0.041
  554   3HD1  LEU  68          3HD1      LEU  68  -0.743   4.224   0.436
  555   1HD2  LEU  68          1HD2      LEU  68  -2.521   4.192  -3.113
  556   2HD2  LEU  68          2HD2      LEU  68  -2.415   2.451  -2.845
  557   3HD2  LEU  68          3HD2      LEU  68  -0.952   3.436  -2.838
  558    H    GLU  69           H        GLU  69  -5.516   2.421  -2.627
  559    HA   GLU  69           HA       GLU  69  -7.385   0.447  -1.396
  560   1HB   GLU  69          2HB       GLU  69  -7.752   2.390  -3.388
  561   2HB   GLU  69          1HB       GLU  69  -7.722   0.854  -4.254
  562   1HG   GLU  69          2HG       GLU  69  -9.270   0.654  -1.795
  563   2HG   GLU  69          1HG       GLU  69  -9.895   1.922  -2.850
  564    H    LEU  70           H        LEU  70  -7.529  -1.693  -2.320
  565    HA   LEU  70           HA       LEU  70  -5.101  -2.507  -3.866
  566   1HB   LEU  70          2HB       LEU  70  -5.142  -3.237  -1.434
  567   2HB   LEU  70          1HB       LEU  70  -6.546  -4.223  -1.833
  568    HG   LEU  70           HG       LEU  70  -5.224  -5.430  -3.532
  569   1HD1  LEU  70          1HD1      LEU  70  -3.413  -4.392  -4.383
  570   2HD1  LEU  70          2HD1      LEU  70  -2.576  -4.766  -2.876
  571   3HD1  LEU  70          3HD1      LEU  70  -3.398  -3.218  -3.067
  572   1HD2  LEU  70          1HD2      LEU  70  -3.831  -5.302  -0.838
  573   2HD2  LEU  70          2HD2      LEU  70  -3.753  -6.643  -1.982
  574   3HD2  LEU  70          3HD2      LEU  70  -5.277  -6.249  -1.187
  575    H    TYR  71           H        TYR  71  -5.390  -4.126  -5.425
  576    HA   TYR  71           HA       TYR  71  -8.107  -5.179  -5.936
  577   1HB   TYR  71          2HB       TYR  71  -6.842  -3.025  -7.478
  578   2HB   TYR  71          1HB       TYR  71  -7.308  -4.398  -8.478
  579    HD1  TYR  71           HD1      TYR  71  -8.446  -1.380  -7.116
  580    HD2  TYR  71           HD2      TYR  71  -9.722  -5.419  -7.831
  581    HE1  TYR  71           HE1      TYR  71 -10.812  -0.649  -7.023
  582    HE2  TYR  71           HE2      TYR  71 -12.089  -4.687  -7.735
  583    HH   TYR  71           HH       TYR  71 -13.095  -1.888  -6.434
  584    H    TYR  72           H        TYR  72  -8.045  -7.106  -7.209
  585    HA   TYR  72           HA       TYR  72  -5.293  -8.220  -7.540
  586   1HB   TYR  72          2HB       TYR  72  -7.952  -9.651  -7.255
  587   2HB   TYR  72          1HB       TYR  72  -6.383 -10.438  -7.428
  588    HD1  TYR  72           HD1      TYR  72  -4.625  -8.769  -5.771
  589    HD2  TYR  72           HD2      TYR  72  -8.652 -10.079  -5.044
  590    HE1  TYR  72           HE1      TYR  72  -4.253  -8.556  -3.331
  591    HE2  TYR  72           HE2      TYR  72  -8.278  -9.867  -2.602
  592    HH   TYR  72           HH       TYR  72  -5.685  -9.914  -1.129
  593    H    LEU  73           HN       LEU  73  -4.622  -7.967  -9.596
  594    HA   LEU  73           HA       LEU  73  -6.171  -9.161 -11.774
  595   1HB   LEU  73          2HB       LEU  73  -6.767  -6.553 -11.315
  596   2HB   LEU  73          1HB       LEU  73  -5.387  -6.365 -12.398
  597    HG   LEU  73           HG       LEU  73  -6.993  -8.443 -13.477
  598   1HD1  LEU  73          1HD1      LEU  73  -9.139  -7.280 -13.803
  599   2HD1  LEU  73          2HD1      LEU  73  -8.586  -5.958 -12.775
  600   3HD1  LEU  73          3HD1      LEU  73  -8.840  -7.563 -12.089
  601   1HD2  LEU  73          1HD2      LEU  73  -7.450  -6.253 -15.063
  602   2HD2  LEU  73          2HD2      LEU  73  -5.994  -7.243 -15.136
  603   3HD2  LEU  73          3HD2      LEU  73  -5.999  -5.753 -14.194
  Start of MODEL    2
    1    H    MET   1           1H       MET   1  10.665   6.567   6.887
    2    HA   MET   1           HA       MET   1   9.475   4.960   4.690
    3   1HB   MET   1          2HB       MET   1  11.196   4.106   6.705
    4   2HB   MET   1          1HB       MET   1   9.593   3.776   7.365
    5   1HG   MET   1          2HG       MET   1   9.175   2.135   5.850
    6   2HG   MET   1          1HG       MET   1   9.895   3.049   4.524
    7   1HE   MET   1          1HE       MET   1  11.312  -0.620   5.178
    8   2HE   MET   1          2HE       MET   1  11.229   0.356   3.716
    9   3HE   MET   1          3HE       MET   1   9.833   0.269   4.787
   10    H    ILE   2           H        ILE   2   7.266   4.837   4.789
   11    HA   ILE   2           HA       ILE   2   5.916   6.096   7.149
   12    HB   ILE   2           HB       ILE   2   4.132   6.825   5.581
   13   1HG1  ILE   2          2HG1      ILE   2   6.018   6.091   3.335
   14   2HG1  ILE   2          1HG1      ILE   2   4.754   4.985   3.874
   15   1HG2  ILE   2          1HG2      ILE   2   6.647   7.879   4.365
   16   2HG2  ILE   2          2HG2      ILE   2   6.439   8.078   6.105
   17   3HG2  ILE   2          3HG2      ILE   2   5.250   8.753   4.992
   18   1HD1  ILE   2          1HD1      ILE   2   4.231   7.850   3.039
   19   2HD1  ILE   2          2HD1      ILE   2   3.031   6.601   3.368
   20   3HD1  ILE   2          3HD1      ILE   2   4.073   6.470   1.951
   21    H    GLU   3           H        GLU   3   3.691   5.270   7.531
   22    HA   GLU   3           HA       GLU   3   3.485   2.378   6.791
   23   1HB   GLU   3          2HB       GLU   3   3.779   2.715   9.193
   24   2HB   GLU   3          1HB       GLU   3   2.448   3.869   9.223
   25   1HG   GLU   3          2HG       GLU   3   1.714   1.651  10.023
   26   2HG   GLU   3          1HG       GLU   3   0.879   2.095   8.536
   27    H    VAL   4           H        VAL   4   2.068   2.236   5.104
   28    HA   VAL   4           HA       VAL   4  -0.428   3.884   5.237
   29    HB   VAL   4           HB       VAL   4  -0.563   3.650   2.793
   30   1HG1  VAL   4          1HG1      VAL   4   0.959   5.312   2.377
   31   2HG1  VAL   4          2HG1      VAL   4   2.286   4.431   3.132
   32   3HG1  VAL   4          3HG1      VAL   4   1.115   5.291   4.133
   33   1HG2  VAL   4          1HG2      VAL   4   0.502   1.412   2.641
   34   2HG2  VAL   4          2HG2      VAL   4   2.056   2.138   3.048
   35   3HG2  VAL   4          3HG2      VAL   4   1.249   2.567   1.540
   36    H    VAL   5           H        VAL   5  -2.410   2.813   4.471
   37    HA   VAL   5           HA       VAL   5  -2.318  -0.160   4.830
   38    HB   VAL   5           HB       VAL   5  -4.636   0.052   5.789
   39   1HG1  VAL   5          1HG1      VAL   5  -2.559   1.650   7.311
   40   2HG1  VAL   5          2HG1      VAL   5  -2.532  -0.108   7.176
   41   3HG1  VAL   5          3HG1      VAL   5  -3.876   0.693   7.988
   42   1HG2  VAL   5          1HG2      VAL   5  -4.318   2.843   6.571
   43   2HG2  VAL   5          2HG2      VAL   5  -5.713   2.039   5.850
   44   3HG2  VAL   5          3HG2      VAL   5  -4.434   2.676   4.819
   45    H    VAL   6           H        VAL   6  -3.569  -1.385   3.400
   46    HA   VAL   6           HA       VAL   6  -4.900   0.152   1.203
   47    HB   VAL   6           HB       VAL   6  -4.347  -1.781  -0.281
   48   1HG1  VAL   6          1HG1      VAL   6  -2.895   0.181  -0.268
   49   2HG1  VAL   6          2HG1      VAL   6  -1.915  -1.275  -0.437
   50   3HG1  VAL   6          3HG1      VAL   6  -2.009  -0.452   1.120
   51   1HG2  VAL   6          1HG2      VAL   6  -2.763  -2.697   2.145
   52   2HG2  VAL   6          2HG2      VAL   6  -2.599  -3.379   0.528
   53   3HG2  VAL   6          3HG2      VAL   6  -4.121  -3.543   1.402
   54    H    ASN   7           H        ASN   7  -7.027  -0.282   0.881
   55    HA   ASN   7           HA       ASN   7  -8.203  -2.622   2.328
   56   1HB   ASN   7          2HB       ASN   7  -9.220   0.144   1.725
   57   2HB   ASN   7          1HB       ASN   7 -10.368  -1.174   1.957
   58   1HD2  ASN   7          1HD2      ASN   7  -7.597   0.459   3.581
   59   2HD2  ASN   7          2HD2      ASN   7  -8.107   0.082   5.155
   60    H    ASP   8           H        ASP   8  -8.702  -4.257   0.963
   61    HA   ASP   8           HA       ASP   8  -8.957  -3.841  -1.910
   62   1HB   ASP   8          2HB       ASP   8  -8.105  -5.946  -0.544
   63   2HB   ASP   8          1HB       ASP   8  -9.812  -6.385  -0.569
   64    H    ARG   9           H        ARG   9 -10.842  -3.892  -3.143
   65    HA   ARG   9           HA       ARG   9 -13.284  -3.014  -1.932
   66   1HB   ARG   9          2HB       ARG   9 -12.565  -2.651  -4.343
   67   2HB   ARG   9          1HB       ARG   9 -13.031  -4.322  -4.654
   68   1HG   ARG   9          2HG       ARG   9 -14.942  -3.009  -5.230
   69   2HG   ARG   9          1HG       ARG   9 -15.316  -3.718  -3.660
   70   1HD   ARG   9          2HD       ARG   9 -15.899  -1.326  -3.686
   71   2HD   ARG   9          1HD       ARG   9 -14.589  -1.633  -2.547
   72    HE   ARG   9           HE       ARG   9 -13.820  -0.773  -5.275
   73   1HH1  ARG   9          1HH2      ARG   9 -12.591  -0.742  -2.288
   74   2HH1  ARG   9          2HH2      ARG   9 -12.363   0.968  -2.140
   75   1HH2  ARG   9          2HH1      ARG   9 -14.264   1.734  -4.951
   76   2HH2  ARG   9          1HH1      ARG   9 -13.315   2.376  -3.653
   77    H    LEU  10           H        LEU  10 -12.139  -6.235  -2.910
   78    HA   LEU  10           HA       LEU  10 -14.635  -7.618  -2.573
   79   1HB   LEU  10          2HB       LEU  10 -11.756  -8.387  -2.721
   80   2HB   LEU  10          1HB       LEU  10 -12.859  -9.556  -1.998
   81    HG   LEU  10           HG       LEU  10 -14.101  -8.492  -4.351
   82   1HD1  LEU  10          1HD1      LEU  10 -12.358  -8.137  -5.734
   83   2HD1  LEU  10          2HD1      LEU  10 -12.027  -9.867  -5.647
   84   3HD1  LEU  10          3HD1      LEU  10 -11.210  -8.755  -4.544
   85   1HD2  LEU  10          1HD2      LEU  10 -14.795 -10.627  -3.873
   86   2HD2  LEU  10          2HD2      LEU  10 -13.224 -11.104  -3.227
   87   3HD2  LEU  10          3HD2      LEU  10 -13.483 -11.057  -4.972
   88    H    GLY  11           H        GLY  11 -11.873  -7.133  -0.343
   89   1HA   GLY  11          2HA       GLY  11 -12.960  -6.513   2.011
   90   2HA   GLY  11          1HA       GLY  11 -13.495  -8.190   1.905
   91    H    LYS  12           H        LYS  12 -10.483  -6.279   1.524
   92    HA   LYS  12           HA       LYS  12  -9.090  -8.222   3.274
   93   1HB   LYS  12          2HB       LYS  12  -8.826  -8.212   0.415
   94   2HB   LYS  12          1HB       LYS  12  -7.304  -7.664   1.119
   95   1HG   LYS  12          2HG       LYS  12  -6.891  -9.676   2.143
   96   2HG   LYS  12          1HG       LYS  12  -8.601 -10.008   2.416
   97   1HD   LYS  12          2HD       LYS  12  -7.765  -9.931  -0.424
   98   2HD   LYS  12          1HD       LYS  12  -7.109 -11.269   0.519
   99   1HE   LYS  12          2HE       LYS  12  -9.080 -12.313   0.162
  100   2HE   LYS  12          1HE       LYS  12  -9.776 -11.168   1.309
  101   1HZ   LYS  12          1HZ       LYS  12 -10.192  -9.652  -0.555
  102   2HZ   LYS  12          2HZ       LYS  12 -11.003 -11.133  -0.748
  103   3HZ   LYS  12          3HZ       LYS  12  -9.589 -10.813  -1.634
  104    H    LYS  13           H        LYS  13  -8.508  -6.750   4.830
  105    HA   LYS  13           HA       LYS  13  -7.341  -4.144   3.985
  106   1HB   LYS  13          2HB       LYS  13  -9.211  -4.417   5.785
  107   2HB   LYS  13          1HB       LYS  13  -7.897  -4.943   6.838
  108   1HG   LYS  13          2HG       LYS  13  -7.155  -2.549   5.369
  109   2HG   LYS  13          1HG       LYS  13  -8.639  -2.292   6.286
  110   1HD   LYS  13          2HD       LYS  13  -7.549  -2.347   8.269
  111   2HD   LYS  13          1HD       LYS  13  -6.615  -3.769   7.805
  112   1HE   LYS  13          2HE       LYS  13  -5.653  -1.633   6.213
  113   2HE   LYS  13          1HE       LYS  13  -5.784  -1.009   7.856
  114   1HZ   LYS  13          1HZ       LYS  13  -3.643  -2.186   7.209
  115   2HZ   LYS  13          2HZ       LYS  13  -4.535  -3.630   7.294
  116   3HZ   LYS  13          3HZ       LYS  13  -4.368  -2.648   8.671
  117    H    VAL  14           H        VAL  14  -5.163  -4.164   3.747
  118    HA   VAL  14           HA       VAL  14  -3.536  -5.746   5.704
  119    HB   VAL  14           HB       VAL  14  -2.820  -5.280   2.792
  120   1HG1  VAL  14          1HG1      VAL  14  -1.705  -7.321   4.725
  121   2HG1  VAL  14          2HG1      VAL  14  -1.010  -5.708   4.566
  122   3HG1  VAL  14          3HG1      VAL  14  -1.029  -6.800   3.182
  123   1HG2  VAL  14          1HG2      VAL  14  -4.059  -7.697   4.148
  124   2HG2  VAL  14          2HG2      VAL  14  -3.371  -7.715   2.524
  125   3HG2  VAL  14          3HG2      VAL  14  -4.785  -6.720   2.871
  126    H    ARG  15           H        ARG  15  -1.666  -4.726   6.469
  127    HA   ARG  15           HA       ARG  15  -1.395  -1.836   5.753
  128   1HB   ARG  15          2HB       ARG  15  -0.373  -1.530   7.961
  129   2HB   ARG  15          1HB       ARG  15  -1.947  -2.303   8.132
  130   1HG   ARG  15          2HG       ARG  15  -0.285  -4.478   7.855
  131   2HG   ARG  15          1HG       ARG  15   0.736  -3.352   8.749
  132   1HD   ARG  15          2HD       ARG  15  -0.438  -3.692  10.633
  133   2HD   ARG  15          1HD       ARG  15  -1.952  -3.312   9.814
  134    HE   ARG  15           HE       ARG  15  -0.788  -6.025  10.130
  135   1HH1  ARG  15          1HH2      ARG  15  -3.558  -5.119  11.048
  136   2HH1  ARG  15          2HH2      ARG  15  -4.561  -5.852   9.842
  137   1HH2  ARG  15          2HH1      ARG  15  -1.942  -6.476   7.654
  138   2HH2  ARG  15          1HH1      ARG  15  -3.647  -6.618   7.919
  139    H    VAL  16           H        VAL  16   0.555  -1.104   4.973
  140    HA   VAL  16           HA       VAL  16   2.943  -2.852   5.147
  141    HB   VAL  16           HB       VAL  16   1.827  -3.537   3.066
  142   1HG1  VAL  16          1HG1      VAL  16   0.567  -1.941   2.072
  143   2HG1  VAL  16          2HG1      VAL  16   2.072  -1.454   1.292
  144   3HG1  VAL  16          3HG1      VAL  16   1.527  -0.627   2.750
  145   1HG2  VAL  16          1HG2      VAL  16   4.299  -3.469   3.138
  146   2HG2  VAL  16          2HG2      VAL  16   4.266  -1.810   2.539
  147   3HG2  VAL  16          3HG2      VAL  16   3.693  -3.128   1.517
  148    H    LYS  17           H        LYS  17   4.850  -1.674   5.244
  149    HA   LYS  17           HA       LYS  17   4.559   1.297   5.065
  150   1HB   LYS  17          2HB       LYS  17   6.453   1.437   6.635
  151   2HB   LYS  17          1HB       LYS  17   5.144   0.480   7.319
  152   1HG   LYS  17          2HG       LYS  17   6.628  -1.446   6.023
  153   2HG   LYS  17          1HG       LYS  17   7.878  -0.333   6.573
  154   1HD   LYS  17          2HD       LYS  17   6.835  -0.409   8.867
  155   2HD   LYS  17          1HD       LYS  17   5.767  -1.681   8.277
  156   1HE   LYS  17          2HE       LYS  17   7.871  -2.952   7.586
  157   2HE   LYS  17          1HE       LYS  17   8.783  -1.763   8.513
  158   1HZ   LYS  17          1HZ       LYS  17   6.500  -3.079   9.800
  159   2HZ   LYS  17          2HZ       LYS  17   7.948  -2.508  10.482
  160   3HZ   LYS  17          3HZ       LYS  17   7.933  -3.967   9.611
  161    H    CYS  18           H        CYS  18   5.935   2.464   3.770
  162    HA   CYS  18           HA       CYS  18   8.355   1.242   2.624
  163   1HB   CYS  18          2HB       CYS  18   5.876   1.157   1.198
  164   2HB   CYS  18          1HB       CYS  18   6.930   2.315   0.387
  165    HG   CYS  18           HG       CYS  18   7.250  -0.614   0.162
  166    H    LEU  19           H        LEU  19   9.576   2.891   1.294
  167    HA   LEU  19           HA       LEU  19   9.382   5.533   2.553
  168   1HB   LEU  19          2HB       LEU  19  11.363   4.031   0.995
  169   2HB   LEU  19          1HB       LEU  19  11.270   5.725   0.521
  170    HG   LEU  19           HG       LEU  19  11.237   5.287   3.438
  171   1HD1  LEU  19          1HD1      LEU  19  13.363   4.139   1.710
  172   2HD1  LEU  19          2HD1      LEU  19  12.882   3.695   3.346
  173   3HD1  LEU  19          3HD1      LEU  19  13.920   5.096   3.082
  174   1HD2  LEU  19          1HD2      LEU  19  12.052   7.258   1.472
  175   2HD2  LEU  19          2HD2      LEU  19  13.366   6.946   2.606
  176   3HD2  LEU  19          3HD2      LEU  19  11.791   7.465   3.204
  177    H    ALA  20           H        ALA  20   8.844   7.469   1.475
  178    HA   ALA  20           HA       ALA  20   6.889   7.310  -0.617
  179   1HB   ALA  20          1HB       ALA  20   8.520   9.733   0.205
  180   2HB   ALA  20          2HB       ALA  20   7.065   9.185   1.038
  181   3HB   ALA  20          3HB       ALA  20   6.968   9.744  -0.632
  182    H    GLU  21           H        GLU  21  10.367   7.485  -0.693
  183    HA   GLU  21           HA       GLU  21  10.513   8.434  -3.463
  184   1HB   GLU  21          2HB       GLU  21  12.938   7.971  -3.239
  185   2HB   GLU  21          1HB       GLU  21  12.342   8.951  -1.901
  186   1HG   GLU  21          2HG       GLU  21  13.291   7.414  -0.538
  187   2HG   GLU  21          1HG       GLU  21  11.965   6.349  -0.998
  188    H    ASP  22           H        ASP  22  10.194   5.370  -1.838
  189    HA   ASP  22           HA       ASP  22  11.340   3.663  -3.820
  190   1HB   ASP  22          2HB       ASP  22   9.498   3.345  -1.525
  191   2HB   ASP  22          1HB       ASP  22   9.333   2.127  -2.789
  192    H    SER  23           H        SER  23  10.316   2.478  -5.519
  193    HA   SER  23           HA       SER  23   8.227   3.991  -6.901
  194   1HB   SER  23          2HB       SER  23   8.576   2.359  -8.720
  195   2HB   SER  23          1HB       SER  23  10.107   3.027  -8.165
  196    HG   SER  23           HG       SER  23  10.031   0.685  -8.411
  197    H    VAL  24           H        VAL  24   6.296   2.849  -7.823
  198    HA   VAL  24           HA       VAL  24   4.721   1.610  -5.781
  199    HB   VAL  24           HB       VAL  24   4.340   1.591  -8.794
  200   1HG1  VAL  24          1HG1      VAL  24   1.932   1.486  -7.167
  201   2HG1  VAL  24          2HG1      VAL  24   2.977   0.105  -6.841
  202   3HG1  VAL  24          3HG1      VAL  24   2.432   0.427  -8.487
  203   1HG2  VAL  24          1HG2      VAL  24   2.528   3.305  -7.412
  204   2HG2  VAL  24          2HG2      VAL  24   3.796   3.763  -8.547
  205   3HG2  VAL  24          3HG2      VAL  24   4.151   3.668  -6.822
  206    H    GLY  25           H        GLY  25   6.746   0.286  -8.372
  207   1HA   GLY  25          2HA       GLY  25   5.922  -2.438  -8.250
  208   2HA   GLY  25          1HA       GLY  25   7.532  -1.896  -8.735
  209    H    ASP  26           H        ASP  26   8.390  -0.652  -6.384
  210    HA   ASP  26           HA       ASP  26   9.220  -2.904  -4.778
  211   1HB   ASP  26          2HB       ASP  26  10.293  -0.488  -5.151
  212   2HB   ASP  26          1HB       ASP  26   9.356  -0.108  -3.706
  213    H    PHE  27           H        PHE  27   6.746  -0.392  -4.427
  214    HA   PHE  27           HA       PHE  27   5.955  -0.952  -1.736
  215   1HB   PHE  27          2HB       PHE  27   5.272   1.059  -3.084
  216   2HB   PHE  27          1HB       PHE  27   4.212   0.014  -4.027
  217    HD1  PHE  27           HD1      PHE  27   4.903   1.214  -0.560
  218    HD2  PHE  27           HD2      PHE  27   2.071  -0.590  -3.235
  219    HE1  PHE  27           HE1      PHE  27   3.134   1.441   1.159
  220    HE2  PHE  27           HE2      PHE  27   0.300  -0.362  -1.516
  221    HZ   PHE  27           HZ       PHE  27   0.831   0.654   0.680
  222    H    LYS  28           H        LYS  28   4.806  -2.220  -4.867
  223    HA   LYS  28           HA       LYS  28   2.824  -3.998  -3.756
  224   1HB   LYS  28          2HB       LYS  28   4.266  -3.890  -6.414
  225   2HB   LYS  28          1HB       LYS  28   3.077  -5.141  -6.044
  226   1HG   LYS  28          2HG       LYS  28   1.497  -3.211  -5.409
  227   2HG   LYS  28          1HG       LYS  28   2.653  -2.156  -6.221
  228   1HD   LYS  28          2HD       LYS  28   2.248  -4.321  -7.979
  229   2HD   LYS  28          1HD       LYS  28   0.646  -3.891  -7.385
  230   1HE   LYS  28          2HE       LYS  28   0.634  -1.920  -8.504
  231   2HE   LYS  28          1HE       LYS  28   2.299  -1.559  -8.057
  232   1HZ   LYS  28          1HZ       LYS  28   3.117  -2.574  -9.896
  233   2HZ   LYS  28          2HZ       LYS  28   1.605  -2.121 -10.526
  234   3HZ   LYS  28          3HZ       LYS  28   1.862  -3.711  -9.985
  235    H    LYS  29           H        LYS  29   6.273  -4.302  -4.484
  236    HA   LYS  29           HA       LYS  29   6.524  -7.133  -4.232
  237   1HB   LYS  29          2HB       LYS  29   8.401  -4.810  -3.877
  238   2HB   LYS  29          1HB       LYS  29   8.926  -6.432  -3.427
  239   1HG   LYS  29          2HG       LYS  29   7.628  -6.610  -5.967
  240   2HG   LYS  29          1HG       LYS  29   8.790  -5.285  -6.045
  241   1HD   LYS  29          2HD       LYS  29  10.335  -6.905  -6.418
  242   2HD   LYS  29          1HD       LYS  29  10.212  -7.213  -4.687
  243   1HE   LYS  29          2HE       LYS  29   8.107  -8.511  -6.293
  244   2HE   LYS  29          1HE       LYS  29   9.735  -9.094  -6.630
  245   1HZ   LYS  29          1HZ       LYS  29   9.942  -9.210  -4.091
  246   2HZ   LYS  29          2HZ       LYS  29   9.036 -10.412  -4.878
  247   3HZ   LYS  29          3HZ       LYS  29   8.248  -9.134  -4.082
  248    H    VAL  30           H        VAL  30   6.753  -4.531  -1.787
  249    HA   VAL  30           HA       VAL  30   7.356  -6.252   0.433
  250    HB   VAL  30           HB       VAL  30   5.849  -3.616   0.535
  251   1HG1  VAL  30          1HG1      VAL  30   6.090  -3.748   2.780
  252   2HG1  VAL  30          2HG1      VAL  30   7.780  -4.226   2.640
  253   3HG1  VAL  30          3HG1      VAL  30   6.509  -5.444   2.540
  254   1HG2  VAL  30          1HG2      VAL  30   7.733  -2.763  -0.415
  255   2HG2  VAL  30          2HG2      VAL  30   8.646  -4.250  -0.152
  256   3HG2  VAL  30          3HG2      VAL  30   8.482  -3.073   1.152
  257    H    LEU  31           H        LEU  31   4.282  -5.096  -0.958
  258    HA   LEU  31           HA       LEU  31   2.569  -6.264   1.043
  259   1HB   LEU  31          2HB       LEU  31   2.203  -5.252  -1.757
  260   2HB   LEU  31          1HB       LEU  31   0.918  -6.221  -1.036
  261    HG   LEU  31           HG       LEU  31   2.096  -3.971   0.560
  262   1HD1  LEU  31          1HD1      LEU  31   0.577  -3.721  -1.962
  263   2HD1  LEU  31          2HD1      LEU  31   1.583  -2.536  -1.130
  264   3HD1  LEU  31          3HD1      LEU  31  -0.082  -2.798  -0.611
  265   1HD2  LEU  31          1HD2      LEU  31   0.115  -4.131   1.756
  266   2HD2  LEU  31          2HD2      LEU  31   0.249  -5.794   1.187
  267   3HD2  LEU  31          3HD2      LEU  31  -0.812  -4.659   0.352
  268    H    SER  32           H        SER  32   3.969  -7.489  -1.977
  269    HA   SER  32           HA       SER  32   2.482  -9.920  -2.161
  270   1HB   SER  32          2HB       SER  32   5.329  -9.356  -3.052
  271   2HB   SER  32          1HB       SER  32   4.343 -10.714  -3.584
  272    HG   SER  32           HG       SER  32   4.432  -8.286  -4.593
  273    H    LEU  33           H        LEU  33   5.383  -9.079  -0.300
  274    HA   LEU  33           HA       LEU  33   6.035 -11.779   0.486
  275   1HB   LEU  33          2HB       LEU  33   6.699  -9.071   1.663
  276   2HB   LEU  33          1HB       LEU  33   7.288 -10.578   2.365
  277    HG   LEU  33           HG       LEU  33   7.666 -10.224  -0.570
  278   1HD1  LEU  33          1HD1      LEU  33   8.355  -8.036   0.104
  279   2HD1  LEU  33          2HD1      LEU  33   9.836  -8.983  -0.040
  280   3HD1  LEU  33          3HD1      LEU  33   9.148  -8.656   1.552
  281   1HD2  LEU  33          1HD2      LEU  33   8.406 -12.260   0.603
  282   2HD2  LEU  33          2HD2      LEU  33   9.387 -11.283   1.697
  283   3HD2  LEU  33          3HD2      LEU  33   9.797 -11.369  -0.017
  284    H    GLN  34           H        GLN  34   3.747  -9.394   1.676
  285    HA   GLN  34           HA       GLN  34   3.290 -10.781   4.214
  286   1HB   GLN  34          2HB       GLN  34   1.894  -8.473   2.841
  287   2HB   GLN  34          1HB       GLN  34   1.390  -9.116   4.404
  288   1HG   GLN  34          2HG       GLN  34   3.679  -8.693   5.287
  289   2HG   GLN  34          1HG       GLN  34   4.119  -7.970   3.738
  290   1HE2  GLN  34          1HE2      GLN  34   2.622  -6.066   3.041
  291   2HE2  GLN  34          2HE2      GLN  34   2.067  -5.040   4.273
  292    H    ILE  35           H        ILE  35   1.435 -10.376   1.154
  293    HA   ILE  35           HA       ILE  35  -0.396 -12.523   2.132
  294    HB   ILE  35           HB       ILE  35  -2.010 -11.704   0.458
  295   1HG1  ILE  35          2HG1      ILE  35   0.103  -9.595  -0.123
  296   2HG1  ILE  35          1HG1      ILE  35  -0.390 -10.878  -1.226
  297   1HG2  ILE  35          1HG2      ILE  35  -0.865  -9.444   2.124
  298   2HG2  ILE  35          2HG2      ILE  35  -1.889 -10.729   2.763
  299   3HG2  ILE  35          3HG2      ILE  35  -2.531  -9.604   1.567
  300   1HD1  ILE  35          1HD1      ILE  35  -2.692  -9.400  -0.234
  301   2HD1  ILE  35          2HD1      ILE  35  -2.200  -9.714  -1.897
  302   3HD1  ILE  35          3HD1      ILE  35  -1.534  -8.332  -1.028
  303    H    GLY  36           H        GLY  36   1.435 -11.555  -0.801
  304   1HA   GLY  36          2HA       GLY  36   2.695 -13.272  -2.032
  305   2HA   GLY  36          1HA       GLY  36   1.463 -14.443  -1.568
  306    H    THR  37           H        THR  37   1.368 -11.212  -3.121
  307    HA   THR  37           HA       THR  37  -0.457 -12.376  -5.185
  308    HB   THR  37           HB       THR  37  -0.623  -9.640  -5.498
  309    HG1  THR  37           HG1      THR  37   0.567  -9.342  -3.566
  310   1HG2  THR  37          1HG2      THR  37  -2.313 -11.385  -3.690
  311   2HG2  THR  37          2HG2      THR  37  -2.472 -11.279  -5.444
  312   3HG2  THR  37          3HG2      THR  37  -2.815  -9.871  -4.442
  313    H    GLN  38           H        GLN  38   2.688 -11.072  -4.719
  314    HA   GLN  38           HA       GLN  38   4.451 -10.713  -6.208
  315   1HB   GLN  38          2HB       GLN  38   2.465 -12.076  -8.014
  316   2HB   GLN  38          1HB       GLN  38   3.933 -11.375  -8.687
  317   1HG   GLN  38          2HG       GLN  38   4.835 -13.404  -8.177
  318   2HG   GLN  38          1HG       GLN  38   4.958 -12.721  -6.553
  319   1HE2  GLN  38          1HE2      GLN  38   3.046 -14.919  -8.597
  320   2HE2  GLN  38          2HE2      GLN  38   2.197 -15.644  -7.318
  321    HA   PRO  39           HA       PRO  39   3.647  -6.727  -7.896
  322   1HB   PRO  39          2HB       PRO  39   5.883  -6.464  -9.484
  323   2HB   PRO  39          1HB       PRO  39   5.917  -6.332  -7.717
  324   1HG   PRO  39          2HG       PRO  39   6.837  -8.580  -9.451
  325   2HG   PRO  39          1HG       PRO  39   7.406  -8.093  -7.846
  326   1HD   PRO  39          2HD       PRO  39   5.668 -10.250  -8.387
  327   2HD   PRO  39          1HD       PRO  39   5.950  -9.520  -6.793
  328    H    ASN  40           H        ASN  40   1.878  -8.161  -9.126
  329    HA   ASN  40           HA       ASN  40   1.864  -7.305 -11.901
  330   1HB   ASN  40          2HB       ASN  40   3.200  -9.652 -11.576
  331   2HB   ASN  40          1HB       ASN  40   1.552 -10.257 -11.742
  332   1HD2  ASN  40          1HD2      ASN  40   4.137  -8.492 -13.428
  333   2HD2  ASN  40          2HD2      ASN  40   3.424  -8.576 -14.967
  334    H    LYS  41           H        LYS  41   0.451  -9.538  -9.491
  335    HA   LYS  41           HA       LYS  41  -2.239  -9.133 -10.667
  336   1HB   LYS  41          2HB       LYS  41  -0.958 -11.220  -9.197
  337   2HB   LYS  41          1HB       LYS  41  -2.327 -10.649  -8.242
  338   1HG   LYS  41          2HG       LYS  41  -3.864 -11.044 -10.024
  339   2HG   LYS  41          1HG       LYS  41  -2.562 -11.275 -11.190
  340   1HD   LYS  41          2HD       LYS  41  -3.214 -13.480 -10.699
  341   2HD   LYS  41          1HD       LYS  41  -1.830 -13.235  -9.634
  342   1HE   LYS  41          2HE       LYS  41  -4.331 -12.342  -8.413
  343   2HE   LYS  41          1HE       LYS  41  -4.371 -14.052  -8.834
  344   1HZ   LYS  41          1HZ       LYS  41  -2.036 -14.060  -7.747
  345   2HZ   LYS  41          2HZ       LYS  41  -3.418 -14.088  -6.759
  346   3HZ   LYS  41          3HZ       LYS  41  -2.567 -12.636  -6.994
  347    H    ILE  42           H        ILE  42  -0.389  -7.291  -8.699
  348    HA   ILE  42           HA       ILE  42  -2.540  -6.667  -6.742
  349    HB   ILE  42           HB       ILE  42   0.285  -5.568  -6.905
  350   1HG1  ILE  42          2HG1      ILE  42  -0.795  -7.588  -4.929
  351   2HG1  ILE  42          1HG1      ILE  42   0.021  -8.075  -6.416
  352   1HG2  ILE  42          1HG2      ILE  42  -0.940  -4.008  -5.659
  353   2HG2  ILE  42          2HG2      ILE  42  -0.374  -5.110  -4.403
  354   3HG2  ILE  42          3HG2      ILE  42  -2.025  -5.236  -5.009
  355   1HD1  ILE  42          1HD1      ILE  42   1.305  -6.080  -4.560
  356   2HD1  ILE  42          2HD1      ILE  42   2.068  -7.132  -5.752
  357   3HD1  ILE  42          3HD1      ILE  42   1.448  -7.810  -4.249
  358    H    VAL  43           H        VAL  43  -3.828  -4.922  -7.040
  359    HA   VAL  43           HA       VAL  43  -2.968  -2.831  -9.007
  360    HB   VAL  43           HB       VAL  43  -5.789  -3.803  -8.431
  361   1HG1  VAL  43          1HG1      VAL  43  -6.512  -1.938  -9.463
  362   2HG1  VAL  43          2HG1      VAL  43  -5.449  -2.240 -10.837
  363   3HG1  VAL  43          3HG1      VAL  43  -4.856  -1.335  -9.445
  364   1HG2  VAL  43          1HG2      VAL  43  -4.588  -4.011 -11.140
  365   2HG2  VAL  43          2HG2      VAL  43  -5.671  -5.121 -10.300
  366   3HG2  VAL  43          3HG2      VAL  43  -3.948  -5.121  -9.929
  367    H    LEU  44           H        LEU  44  -2.381  -1.110  -7.746
  368    HA   LEU  44           HA       LEU  44  -3.923  -0.554  -5.263
  369   1HB   LEU  44          2HB       LEU  44  -1.192   0.136  -6.258
  370   2HB   LEU  44          1HB       LEU  44  -1.971   1.267  -5.152
  371    HG   LEU  44           HG       LEU  44  -2.302  -1.493  -4.273
  372   1HD1  LEU  44          1HD1      LEU  44   0.522  -0.542  -4.021
  373   2HD1  LEU  44          2HD1      LEU  44   0.040  -1.314  -5.531
  374   3HD1  LEU  44          3HD1      LEU  44  -0.112  -2.187  -4.007
  375   1HD2  LEU  44          1HD2      LEU  44  -0.939   0.909  -3.011
  376   2HD2  LEU  44          2HD2      LEU  44  -1.519  -0.526  -2.166
  377   3HD2  LEU  44          3HD2      LEU  44  -2.669   0.577  -2.921
  378    H    GLN  45           H        GLN  45  -5.077   1.355  -4.978
  379    HA   GLN  45           HA       GLN  45  -5.200   3.208  -7.325
  380   1HB   GLN  45          2HB       GLN  45  -7.564   2.676  -5.526
  381   2HB   GLN  45          1HB       GLN  45  -7.551   3.405  -7.127
  382   1HG   GLN  45          2HG       GLN  45  -6.432   0.689  -7.096
  383   2HG   GLN  45          1HG       GLN  45  -8.118   0.750  -6.586
  384   1HE2  GLN  45          1HE2      GLN  45  -9.722   1.255  -8.186
  385   2HE2  GLN  45          2HE2      GLN  45  -9.343   1.505  -9.822
  386    H    LYS  46           H        LYS  46  -4.793   5.311  -6.804
  387    HA   LYS  46           HA       LYS  46  -5.006   6.098  -3.925
  388   1HB   LYS  46          2HB       LYS  46  -2.682   5.976  -5.396
  389   2HB   LYS  46          1HB       LYS  46  -3.146   7.666  -5.587
  390   1HG   LYS  46          2HG       LYS  46  -3.504   6.735  -2.841
  391   2HG   LYS  46          1HG       LYS  46  -1.835   6.567  -3.385
  392   1HD   LYS  46          2HD       LYS  46  -1.553   8.843  -3.682
  393   2HD   LYS  46          1HD       LYS  46  -3.266   9.120  -4.001
  394   1HE   LYS  46          2HE       LYS  46  -2.523   8.128  -1.285
  395   2HE   LYS  46          1HE       LYS  46  -2.140   9.806  -1.666
  396   1HZ   LYS  46          1HZ       LYS  46  -4.778   8.483  -1.601
  397   2HZ   LYS  46          2HZ       LYS  46  -4.545   9.904  -2.502
  398   3HZ   LYS  46          3HZ       LYS  46  -4.282   9.908  -0.824
  399    H    GLY  47           H        GLY  47  -7.034   7.057  -4.061
  400   1HA   GLY  47          2HA       GLY  47  -8.534   8.821  -4.422
  401   2HA   GLY  47          1HA       GLY  47  -7.184   9.744  -5.079
  402    H    GLY  48           H        GLY  48  -8.776   6.712  -6.163
  403   1HA   GLY  48          2HA       GLY  48  -9.780   6.174  -8.217
  404   2HA   GLY  48          1HA       GLY  48 -10.058   7.900  -8.448
  405    H    SER  49           H        SER  49  -7.037   6.009  -8.142
  406    HA   SER  49           HA       SER  49  -6.330   6.570 -10.950
  407   1HB   SER  49          2HB       SER  49  -5.251   8.096  -8.677
  408   2HB   SER  49          1HB       SER  49  -4.002   7.367  -9.683
  409    HG   SER  49           HG       SER  49  -4.523   9.334 -10.574
  410    H    VAL  50           H        VAL  50  -5.133   4.869 -11.733
  411    HA   VAL  50           HA       VAL  50  -4.474   2.683  -9.906
  412    HB   VAL  50           HB       VAL  50  -5.358   2.286 -12.210
  413   1HG1  VAL  50          1HG1      VAL  50  -2.646   3.374 -13.025
  414   2HG1  VAL  50          2HG1      VAL  50  -4.222   4.051 -13.432
  415   3HG1  VAL  50          3HG1      VAL  50  -3.730   2.498 -14.106
  416   1HG2  VAL  50          1HG2      VAL  50  -4.400   0.296 -11.711
  417   2HG2  VAL  50          2HG2      VAL  50  -2.973   1.064 -11.018
  418   3HG2  VAL  50          3HG2      VAL  50  -3.077   0.804 -12.759
  419    H    LEU  51           H        LEU  51  -2.460   2.095  -9.182
  420    HA   LEU  51           HA       LEU  51  -0.254   4.024  -9.687
  421   1HB   LEU  51          2HB       LEU  51  -0.313   1.823  -7.608
  422   2HB   LEU  51          1HB       LEU  51   0.726   3.245  -7.644
  423    HG   LEU  51           HG       LEU  51  -2.280   3.216  -7.221
  424   1HD1  LEU  51          1HD1      LEU  51  -1.751   3.092  -5.040
  425   2HD1  LEU  51          2HD1      LEU  51  -0.831   4.589  -5.189
  426   3HD1  LEU  51          3HD1      LEU  51  -0.035   3.036  -5.442
  427   1HD2  LEU  51          1HD2      LEU  51  -2.230   5.588  -7.177
  428   2HD2  LEU  51          2HD2      LEU  51  -1.271   5.164  -8.593
  429   3HD2  LEU  51          3HD2      LEU  51  -0.469   5.632  -7.094
  430    H    LYS  52           H        LYS  52   1.256   3.452 -11.149
  431    HA   LYS  52           HA       LYS  52   1.593   0.561 -11.806
  432   1HB   LYS  52          2HB       LYS  52   1.914   3.109 -13.329
  433   2HB   LYS  52          1HB       LYS  52   2.968   1.762 -13.760
  434   1HG   LYS  52          2HG       LYS  52   0.026   1.271 -13.419
  435   2HG   LYS  52          1HG       LYS  52   0.609   2.001 -14.915
  436   1HD   LYS  52          2HD       LYS  52   1.130  -0.069 -15.639
  437   2HD   LYS  52          1HD       LYS  52   2.373  -0.137 -14.390
  438   1HE   LYS  52          2HE       LYS  52   0.595  -0.926 -12.778
  439   2HE   LYS  52          1HE       LYS  52  -0.503  -1.052 -14.152
  440   1HZ   LYS  52          1HZ       LYS  52   0.481  -3.170 -13.794
  441   2HZ   LYS  52          2HZ       LYS  52   2.048  -2.513 -13.760
  442   3HZ   LYS  52          3HZ       LYS  52   1.159  -2.534 -15.210
  443    H    ASP  53           H        ASP  53   3.663  -0.368 -11.830
  444    HA   ASP  53           HA       ASP  53   5.515   0.479  -9.847
  445   1HB   ASP  53          2HB       ASP  53   7.024  -1.235 -10.794
  446   2HB   ASP  53          1HB       ASP  53   5.379  -1.850 -10.636
  447    H    HIS  54           H        HIS  54   5.279   1.305 -13.253
  448    HA   HIS  54           HA       HIS  54   7.958   2.281 -13.616
  449   1HB   HIS  54          2HB       HIS  54   5.357   2.962 -15.013
  450   2HB   HIS  54          1HB       HIS  54   6.932   3.555 -15.539
  451    HD1  HIS  54           HD1      HIS  54   4.759   0.550 -15.563
  452    HD2  HIS  54           HD2      HIS  54   8.726   1.459 -16.462
  453    HE1  HIS  54           HE1      HIS  54   5.671  -1.425 -16.861
  454    H    ILE  55           H        ILE  55   5.259   3.596 -11.883
  455    HA   ILE  55           HA       ILE  55   6.523   6.302 -11.884
  456    HB   ILE  55           HB       ILE  55   3.735   5.442 -11.038
  457   1HG1  ILE  55          2HG1      ILE  55   3.395   7.211 -13.058
  458   2HG1  ILE  55          1HG1      ILE  55   4.935   6.509 -13.547
  459   1HG2  ILE  55          1HG2      ILE  55   5.150   8.117 -11.052
  460   2HG2  ILE  55          2HG2      ILE  55   4.345   7.326  -9.697
  461   3HG2  ILE  55          3HG2      ILE  55   3.392   7.978 -11.028
  462   1HD1  ILE  55          1HD1      ILE  55   2.466   4.892 -12.856
  463   2HD1  ILE  55          2HD1      ILE  55   3.988   4.267 -13.492
  464   3HD1  ILE  55          3HD1      ILE  55   2.966   5.293 -14.499
  465    H    SER  56           H        SER  56   7.003   7.302  -9.874
  466    HA   SER  56           HA       SER  56   7.595   5.403  -7.710
  467   1HB   SER  56          2HB       SER  56   8.816   7.285  -6.696
  468   2HB   SER  56          1HB       SER  56   9.286   7.068  -8.378
  469    HG   SER  56           HG       SER  56   8.855   9.258  -7.890
  470    H    LEU  57           H        LEU  57   6.944   5.771  -5.490
  471    HA   LEU  57           HA       LEU  57   4.169   6.346  -5.136
  472   1HB   LEU  57          2HB       LEU  57   6.445   6.229  -3.133
  473   2HB   LEU  57          1HB       LEU  57   4.747   6.368  -2.676
  474    HG   LEU  57           HG       LEU  57   5.693   4.164  -4.509
  475   1HD1  LEU  57          1HD1      LEU  57   7.013   4.142  -2.365
  476   2HD1  LEU  57          2HD1      LEU  57   5.996   2.720  -2.587
  477   3HD1  LEU  57          3HD1      LEU  57   5.490   4.002  -1.488
  478   1HD2  LEU  57          1HD2      LEU  57   3.457   3.812  -4.510
  479   2HD2  LEU  57          2HD2      LEU  57   3.206   4.979  -3.213
  480   3HD2  LEU  57          3HD2      LEU  57   3.626   3.311  -2.827
  481    H    GLU  58           H        GLU  58   7.064   8.356  -4.807
  482    HA   GLU  58           HA       GLU  58   5.873  10.613  -3.517
  483   1HB   GLU  58          2HB       GLU  58   8.387   9.960  -4.781
  484   2HB   GLU  58          1HB       GLU  58   7.858  11.557  -5.308
  485   1HG   GLU  58          2HG       GLU  58   7.544  10.980  -2.414
  486   2HG   GLU  58          1HG       GLU  58   9.201  11.136  -2.993
  487    H    ASP  59           H        ASP  59   6.060   9.649  -6.931
  488    HA   ASP  59           HA       ASP  59   5.060  12.087  -8.065
  489   1HB   ASP  59          2HB       ASP  59   5.475   9.304  -8.957
  490   2HB   ASP  59          1HB       ASP  59   4.149  10.132  -9.773
  491    H    TYR  60           H        TYR  60   3.407   9.112  -6.978
  492    HA   TYR  60           HA       TYR  60   0.750  10.091  -7.623
  493   1HB   TYR  60          2HB       TYR  60   1.800   7.794  -5.966
  494   2HB   TYR  60          1HB       TYR  60   0.077   8.157  -6.049
  495    HD1  TYR  60           HD1      TYR  60   2.580   6.196  -7.468
  496    HD2  TYR  60           HD2      TYR  60  -0.735   8.686  -8.600
  497    HE1  TYR  60           HE1      TYR  60   2.426   5.007  -9.639
  498    HE2  TYR  60           HE2      TYR  60  -0.887   7.498 -10.770
  499    HH   TYR  60           HH       TYR  60   0.703   6.168 -12.254
  500    H    GLU  61           H        GLU  61   2.940  10.656  -5.019
  501    HA   GLU  61           HA       GLU  61   2.759  12.045  -3.153
  502   1HB   GLU  61          2HB       GLU  61   0.976  13.182  -4.800
  503   2HB   GLU  61          1HB       GLU  61  -0.150  12.576  -3.586
  504   1HG   GLU  61          2HG       GLU  61   2.318  14.145  -2.821
  505   2HG   GLU  61          1HG       GLU  61   0.797  14.944  -3.217
  506    H    VAL  62           H        VAL  62   2.973   9.894  -2.112
  507    HA   VAL  62           HA       VAL  62   0.461   8.938  -0.812
  508    HB   VAL  62           HB       VAL  62   3.191   7.636  -1.098
  509   1HG1  VAL  62          1HG1      VAL  62   1.890   5.621  -0.171
  510   2HG1  VAL  62          2HG1      VAL  62   0.683   6.789   0.365
  511   3HG1  VAL  62          3HG1      VAL  62   2.331   6.875   0.989
  512   1HG2  VAL  62          1HG2      VAL  62   1.914   7.607  -3.170
  513   2HG2  VAL  62          2HG2      VAL  62   0.470   7.061  -2.313
  514   3HG2  VAL  62          3HG2      VAL  62   1.866   5.992  -2.459
  515    H    HIS  63           H        HIS  63   0.121   9.679   1.215
  516    HA   HIS  63           HA       HIS  63   2.398  10.803   2.755
  517   1HB   HIS  63          2HB       HIS  63  -0.366  11.480   2.458
  518   2HB   HIS  63          1HB       HIS  63  -0.087  11.068   4.149
  519    HD1  HIS  63           HD1      HIS  63   1.318  13.330   1.436
  520    HD2  HIS  63           HD2      HIS  63   1.277  13.019   5.591
  521    HE1  HIS  63           HE1      HIS  63   2.412  15.435   2.324
  522    H    ASP  64           H        ASP  64   2.369  10.367   5.171
  523    HA   ASP  64           HA       ASP  64   2.435   7.504   5.636
  524   1HB   ASP  64          2HB       ASP  64   3.113   8.095   7.923
  525   2HB   ASP  64          1HB       ASP  64   4.016   9.056   6.755
  526    H    GLN  65           H        GLN  65   0.994   6.244   6.822
  527    HA   GLN  65           HA       GLN  65  -1.052   5.586   7.742
  528   1HB   GLN  65          2HB       GLN  65  -0.341   8.043   9.032
  529   2HB   GLN  65          1HB       GLN  65  -2.082   8.054   8.755
  530   1HG   GLN  65          2HG       GLN  65  -1.583   7.001  10.913
  531   2HG   GLN  65          1HG       GLN  65  -2.245   5.806   9.798
  532   1HE2  GLN  65          1HE2      GLN  65   1.028   7.129  10.634
  533   2HE2  GLN  65          2HE2      GLN  65   1.797   5.616  10.609
  534    H    THR  66           H        THR  66  -0.912   6.612   4.970
  535    HA   THR  66           HA       THR  66  -3.498   7.991   4.584
  536    HB   THR  66           HB       THR  66  -1.394   8.533   3.241
  537    HG1  THR  66           HG1      THR  66  -2.816   9.300   1.936
  538   1HG2  THR  66          1HG2      THR  66  -0.741   6.144   2.880
  539   2HG2  THR  66          2HG2      THR  66  -0.830   7.074   1.384
  540   3HG2  THR  66          3HG2      THR  66  -2.132   5.965   1.812
  541    H    ASN  67           H        ASN  67  -5.186   7.054   3.225
  542    HA   ASN  67           HA       ASN  67  -5.314   4.094   3.511
  543   1HB   ASN  67          2HB       ASN  67  -7.160   5.857   4.254
  544   2HB   ASN  67          1HB       ASN  67  -7.640   5.725   2.562
  545   1HD2  ASN  67          1HD2      ASN  67  -7.324   3.900   5.598
  546   2HD2  ASN  67          2HD2      ASN  67  -8.236   2.563   5.088
  547    H    LEU  68           H        LEU  68  -4.940   2.856   1.760
  548    HA   LEU  68           HA       LEU  68  -5.238   4.084  -0.954
  549   1HB   LEU  68          2HB       LEU  68  -3.277   2.129   0.202
  550   2HB   LEU  68          1HB       LEU  68  -3.663   2.031  -1.515
  551    HG   LEU  68           HG       LEU  68  -3.175   4.779  -0.619
  552   1HD1  LEU  68          1HD1      LEU  68  -0.855   4.606  -0.130
  553   2HD1  LEU  68          2HD1      LEU  68  -0.790   2.922  -0.651
  554   3HD1  LEU  68          3HD1      LEU  68  -1.615   3.350   0.847
  555   1HD2  LEU  68          1HD2      LEU  68  -2.016   2.972  -2.767
  556   2HD2  LEU  68          2HD2      LEU  68  -1.664   4.694  -2.620
  557   3HD2  LEU  68          3HD2      LEU  68  -3.305   4.157  -2.974
  558    H    GLU  69           H        GLU  69  -5.930   2.542  -2.671
  559    HA   GLU  69           HA       GLU  69  -7.935   0.609  -1.599
  560   1HB   GLU  69          2HB       GLU  69  -8.201   2.601  -3.490
  561   2HB   GLU  69          1HB       GLU  69  -7.965   1.167  -4.488
  562   1HG   GLU  69          2HG       GLU  69  -9.836   0.865  -2.198
  563   2HG   GLU  69          1HG       GLU  69 -10.382   1.903  -3.515
  564    H    LEU  70           H        LEU  70  -7.794  -1.563  -2.113
  565    HA   LEU  70           HA       LEU  70  -5.439  -2.392  -3.762
  566   1HB   LEU  70          2HB       LEU  70  -5.412  -3.009  -1.309
  567   2HB   LEU  70          1HB       LEU  70  -6.827  -4.016  -1.610
  568    HG   LEU  70           HG       LEU  70  -5.543  -5.294  -3.305
  569   1HD1  LEU  70          1HD1      LEU  70  -3.010  -4.926  -3.254
  570   2HD1  LEU  70          2HD1      LEU  70  -3.349  -3.384  -2.468
  571   3HD1  LEU  70          3HD1      LEU  70  -3.954  -3.697  -4.096
  572   1HD2  LEU  70          1HD2      LEU  70  -4.236  -6.555  -1.743
  573   2HD2  LEU  70          2HD2      LEU  70  -5.576  -5.880  -0.817
  574   3HD2  LEU  70          3HD2      LEU  70  -3.976  -5.143  -0.717
  575    H    TYR  71           H        TYR  71  -5.741  -3.964  -5.342
  576    HA   TYR  71           HA       TYR  71  -8.422  -5.171  -5.701
  577   1HB   TYR  71          2HB       TYR  71  -7.451  -2.921  -7.239
  578   2HB   TYR  71          1HB       TYR  71  -7.629  -4.327  -8.287
  579    HD1  TYR  71           HD1      TYR  71  -9.316  -1.544  -7.154
  580    HD2  TYR  71           HD2      TYR  71  -9.872  -5.784  -7.576
  581    HE1  TYR  71           HE1      TYR  71 -11.773  -1.219  -7.177
  582    HE2  TYR  71           HE2      TYR  71 -12.330  -5.459  -7.597
  583    HH   TYR  71           HH       TYR  71 -13.794  -2.422  -6.798
  584    H    TYR  72           H        TYR  72  -8.337  -7.093  -6.986
  585    HA   TYR  72           HA       TYR  72  -5.558  -8.103  -7.422
  586   1HB   TYR  72          2HB       TYR  72  -8.165  -9.599  -7.001
  587   2HB   TYR  72          1HB       TYR  72  -6.612 -10.369  -7.331
  588    HD1  TYR  72           HD1      TYR  72  -4.635  -9.115  -5.787
  589    HD2  TYR  72           HD2      TYR  72  -8.762  -9.716  -4.747
  590    HE1  TYR  72           HE1      TYR  72  -4.051  -8.964  -3.382
  591    HE2  TYR  72           HE2      TYR  72  -8.176  -9.567  -2.342
  592    HH   TYR  72           HH       TYR  72  -5.851  -8.257  -1.092
  593    H    LEU  73           HN       LEU  73  -4.907  -8.528  -9.472
  594    HA   LEU  73           HA       LEU  73  -6.648  -7.892 -11.712
  595   1HB   LEU  73          2HB       LEU  73  -3.894  -7.996 -11.307
  596   2HB   LEU  73          1HB       LEU  73  -4.202  -9.342 -12.403
  597    HG   LEU  73           HG       LEU  73  -5.763  -7.062 -13.228
  598   1HD1  LEU  73          1HD1      LEU  73  -3.988  -5.775 -12.043
  599   2HD1  LEU  73          2HD1      LEU  73  -3.958  -5.510 -13.785
  600   3HD1  LEU  73          3HD1      LEU  73  -2.772  -6.580 -13.034
  601   1HD2  LEU  73          1HD2      LEU  73  -5.207  -8.811 -14.767
  602   2HD2  LEU  73          2HD2      LEU  73  -3.486  -8.681 -14.401
  603   3HD2  LEU  73          3HD2      LEU  73  -4.296  -7.397 -15.298
  Start of MODEL    3
    1    H    MET   1           1H       MET   1  10.207   7.101   5.671
    2    HA   MET   1           HA       MET   1   9.476   5.022   4.731
    3   1HB   MET   1          2HB       MET   1  11.086   3.845   6.546
    4   2HB   MET   1          1HB       MET   1   9.546   3.684   7.391
    5   1HG   MET   1          2HG       MET   1   8.597   2.387   5.681
    6   2HG   MET   1          1HG       MET   1   9.761   2.946   4.481
    7   1HE   MET   1          1HE       MET   1   9.755   0.452   3.807
    8   2HE   MET   1          2HE       MET   1  11.261  -0.378   4.191
    9   3HE   MET   1          3HE       MET   1  11.305   1.266   3.560
   10    H    ILE   2           H        ILE   2   7.257   4.912   4.666
   11    HA   ILE   2           HA       ILE   2   5.772   6.007   7.025
   12    HB   ILE   2           HB       ILE   2   4.077   6.829   5.417
   13   1HG1  ILE   2          2HG1      ILE   2   5.998   6.315   3.164
   14   2HG1  ILE   2          1HG1      ILE   2   4.910   5.022   3.669
   15   1HG2  ILE   2          1HG2      ILE   2   6.809   7.801   4.562
   16   2HG2  ILE   2          2HG2      ILE   2   6.134   8.179   6.146
   17   3HG2  ILE   2          3HG2      ILE   2   5.314   8.728   4.685
   18   1HD1  ILE   2          1HD1      ILE   2   4.163   6.779   1.825
   19   2HD1  ILE   2          2HD1      ILE   2   3.764   7.754   3.239
   20   3HD1  ILE   2          3HD1      ILE   2   3.010   6.175   3.015
   21    H    GLU   3           H        GLU   3   3.538   5.167   7.251
   22    HA   GLU   3           HA       GLU   3   3.349   2.326   6.322
   23   1HB   GLU   3          2HB       GLU   3   1.826   2.038   8.339
   24   2HB   GLU   3          1HB       GLU   3   3.520   2.344   8.717
   25   1HG   GLU   3          2HG       GLU   3   2.051   4.841   8.447
   26   2HG   GLU   3          1HG       GLU   3   1.304   3.796   9.653
   27    H    VAL   4           H        VAL   4   1.601   1.791   5.082
   28    HA   VAL   4           HA       VAL   4  -0.684   3.720   4.983
   29    HB   VAL   4           HB       VAL   4  -0.816   3.355   2.536
   30   1HG1  VAL   4          1HG1      VAL   4   1.997   4.187   3.274
   31   2HG1  VAL   4          2HG1      VAL   4   0.594   5.197   3.618
   32   3HG1  VAL   4          3HG1      VAL   4   0.998   4.789   1.951
   33   1HG2  VAL   4          1HG2      VAL   4   1.006   2.203   1.373
   34   2HG2  VAL   4          2HG2      VAL   4   0.254   1.104   2.528
   35   3HG2  VAL   4          3HG2      VAL   4   1.801   1.861   2.908
   36    H    VAL   5           H        VAL   5  -2.721   2.757   4.258
   37    HA   VAL   5           HA       VAL   5  -2.836  -0.187   4.808
   38    HB   VAL   5           HB       VAL   5  -5.217   0.250   5.507
   39   1HG1  VAL   5          1HG1      VAL   5  -2.929   0.430   6.956
   40   2HG1  VAL   5          2HG1      VAL   5  -4.538   0.581   7.663
   41   3HG1  VAL   5          3HG1      VAL   5  -3.612   2.027   7.259
   42   1HG2  VAL   5          1HG2      VAL   5  -4.723   2.765   4.339
   43   2HG2  VAL   5          2HG2      VAL   5  -4.815   3.072   6.072
   44   3HG2  VAL   5          3HG2      VAL   5  -6.158   2.286   5.242
   45    H    VAL   6           H        VAL   6  -3.843  -1.480   3.290
   46    HA   VAL   6           HA       VAL   6  -5.072  -0.087   0.941
   47    HB   VAL   6           HB       VAL   6  -4.229  -1.978  -0.459
   48   1HG1  VAL   6          1HG1      VAL   6  -1.653  -1.209   0.444
   49   2HG1  VAL   6          2HG1      VAL   6  -2.723   0.163   0.737
   50   3HG1  VAL   6          3HG1      VAL   6  -2.581  -0.514  -0.885
   51   1HG2  VAL   6          1HG2      VAL   6  -3.604  -3.846   0.658
   52   2HG2  VAL   6          2HG2      VAL   6  -3.459  -2.977   2.185
   53   3HG2  VAL   6          3HG2      VAL   6  -2.114  -2.988   1.047
   54    H    ASN   7           H        ASN   7  -7.179  -0.571   0.704
   55    HA   ASN   7           HA       ASN   7  -8.206  -3.111   1.907
   56   1HB   ASN   7          2HB       ASN   7 -10.452  -1.937   1.806
   57   2HB   ASN   7          1HB       ASN   7  -9.287  -1.214   2.913
   58   1HD2  ASN   7          1HD2      ASN   7  -8.457   0.908   2.397
   59   2HD2  ASN   7          2HD2      ASN   7  -9.070   1.835   1.114
   60    H    ASP   8           H        ASP   8  -9.436  -4.518   0.643
   61    HA   ASP   8           HA       ASP   8  -9.066  -4.297  -2.241
   62   1HB   ASP   8          2HB       ASP   8 -10.074  -6.359  -0.347
   63   2HB   ASP   8          1HB       ASP   8 -10.679  -6.445  -2.002
   64    H    ARG   9           H        ARG   9 -12.131  -5.151  -0.594
   65    HA   ARG   9           HA       ARG   9 -13.590  -2.839  -1.478
   66   1HB   ARG   9          2HB       ARG   9 -13.086  -4.069  -3.683
   67   2HB   ARG   9          1HB       ARG   9 -14.213  -5.302  -3.117
   68   1HG   ARG   9          2HG       ARG   9 -15.742  -3.969  -4.185
   69   2HG   ARG   9          1HG       ARG   9 -15.703  -3.096  -2.654
   70   1HD   ARG   9          2HD       ARG   9 -13.530  -2.079  -4.093
   71   2HD   ARG   9          1HD       ARG   9 -14.821  -2.225  -5.285
   72    HE   ARG   9           HE       ARG   9 -16.232  -0.849  -3.704
   73   1HH1  ARG   9          1HH2      ARG   9 -14.346  -0.965  -1.356
   74   2HH1  ARG   9          2HH2      ARG   9 -13.558   0.574  -1.450
   75   1HH2  ARG   9          2HH1      ARG   9 -14.545   1.180  -4.730
   76   2HH2  ARG   9          1HH1      ARG   9 -13.670   1.791  -3.367
   77    H    LEU  10           H        LEU  10 -14.091  -6.389  -1.118
   78    HA   LEU  10           HA       LEU  10 -16.686  -6.097   0.109
   79   1HB   LEU  10          2HB       LEU  10 -14.996  -8.249  -0.721
   80   2HB   LEU  10          1HB       LEU  10 -15.435  -8.534   0.963
   81    HG   LEU  10           HG       LEU  10 -17.749  -7.595  -0.475
   82   1HD1  LEU  10          1HD1      LEU  10 -16.756 -10.214  -1.567
   83   2HD1  LEU  10          2HD1      LEU  10 -16.271  -8.706  -2.342
   84   3HD1  LEU  10          3HD1      LEU  10 -17.980  -9.126  -2.224
   85   1HD2  LEU  10          1HD2      LEU  10 -17.037 -10.268   0.774
   86   2HD2  LEU  10          2HD2      LEU  10 -18.666  -9.742   0.349
   87   3HD2  LEU  10          3HD2      LEU  10 -17.770  -8.902   1.614
   88    H    GLY  11           H        GLY  11 -13.712  -7.363   1.667
   89   1HA   GLY  11          2HA       GLY  11 -13.778  -5.489   3.853
   90   2HA   GLY  11          1HA       GLY  11 -14.541  -7.008   4.333
   91    H    LYS  12           H        LYS  12 -11.651  -6.104   2.413
   92    HA   LYS  12           HA       LYS  12 -10.000  -7.801   4.222
   93   1HB   LYS  12          2HB       LYS  12 -10.816  -8.947   2.004
   94   2HB   LYS  12          1HB       LYS  12  -9.591  -7.933   1.245
   95   1HG   LYS  12          2HG       LYS  12  -8.341  -9.037   3.514
   96   2HG   LYS  12          1HG       LYS  12  -9.244 -10.364   2.785
   97   1HD   LYS  12          2HD       LYS  12  -7.789 -10.504   1.069
   98   2HD   LYS  12          1HD       LYS  12  -7.929  -8.776   0.741
   99   1HE   LYS  12          2HE       LYS  12  -6.445  -8.685   3.000
  100   2HE   LYS  12          1HE       LYS  12  -5.912 -10.240   2.361
  101   1HZ   LYS  12          1HZ       LYS  12  -5.486  -7.566   1.328
  102   2HZ   LYS  12          2HZ       LYS  12  -5.860  -8.740   0.160
  103   3HZ   LYS  12          3HZ       LYS  12  -4.523  -8.953   1.185
  104    H    LYS  13           H        LYS  13  -8.633  -6.269   5.037
  105    HA   LYS  13           HA       LYS  13  -7.222  -4.504   3.080
  106   1HB   LYS  13          2HB       LYS  13  -7.172  -2.724   4.760
  107   2HB   LYS  13          1HB       LYS  13  -8.835  -3.199   4.425
  108   1HG   LYS  13          2HG       LYS  13  -8.676  -4.745   6.437
  109   2HG   LYS  13          1HG       LYS  13  -7.153  -3.943   6.826
  110   1HD   LYS  13          2HD       LYS  13  -9.446  -2.148   6.249
  111   2HD   LYS  13          1HD       LYS  13  -9.557  -3.089   7.737
  112   1HE   LYS  13          2HE       LYS  13  -7.657  -2.103   8.666
  113   2HE   LYS  13          1HE       LYS  13  -6.996  -1.664   7.093
  114   1HZ   LYS  13          1HZ       LYS  13  -8.946  -0.104   6.904
  115   2HZ   LYS  13          2HZ       LYS  13  -7.766   0.312   8.051
  116   3HZ   LYS  13          3HZ       LYS  13  -9.231  -0.388   8.554
  117    H    VAL  14           H        VAL  14  -5.022  -3.928   3.678
  118    HA   VAL  14           HA       VAL  14  -3.785  -5.595   5.819
  119    HB   VAL  14           HB       VAL  14  -1.911  -5.544   3.699
  120   1HG1  VAL  14          1HG1      VAL  14  -1.993  -7.915   3.918
  121   2HG1  VAL  14          2HG1      VAL  14  -3.665  -7.880   4.478
  122   3HG1  VAL  14          3HG1      VAL  14  -2.374  -7.276   5.517
  123   1HG2  VAL  14          1HG2      VAL  14  -4.086  -5.114   2.323
  124   2HG2  VAL  14          2HG2      VAL  14  -4.462  -6.797   2.690
  125   3HG2  VAL  14          3HG2      VAL  14  -2.999  -6.396   1.791
  126    H    ARG  15           H        ARG  15  -1.633  -4.804   6.454
  127    HA   ARG  15           HA       ARG  15  -1.345  -1.868   5.947
  128   1HB   ARG  15          2HB       ARG  15  -0.922  -3.614   8.322
  129   2HB   ARG  15          1HB       ARG  15   0.221  -2.292   8.106
  130   1HG   ARG  15          2HG       ARG  15  -1.497  -1.307   9.379
  131   2HG   ARG  15          1HG       ARG  15  -1.890  -0.818   7.732
  132   1HD   ARG  15          2HD       ARG  15  -3.921  -1.616   8.789
  133   2HD   ARG  15          1HD       ARG  15  -3.425  -2.806   7.584
  134    HE   ARG  15           HE       ARG  15  -2.241  -3.812   9.814
  135   1HH1  ARG  15          1HH2      ARG  15  -5.238  -4.129   8.561
  136   2HH1  ARG  15          2HH2      ARG  15  -6.074  -4.413  10.052
  137   1HH2  ARG  15          2HH1      ARG  15  -3.384  -3.488  12.051
  138   2HH2  ARG  15          1HH1      ARG  15  -5.035  -4.031  12.027
  139    H    VAL  16           H        VAL  16   0.530  -1.138   5.012
  140    HA   VAL  16           HA       VAL  16   2.920  -2.892   4.954
  141    HB   VAL  16           HB       VAL  16   1.611  -3.430   2.903
  142   1HG1  VAL  16          1HG1      VAL  16   1.432  -1.684   1.136
  143   2HG1  VAL  16          2HG1      VAL  16   2.006  -0.488   2.297
  144   3HG1  VAL  16          3HG1      VAL  16   0.468  -1.308   2.564
  145   1HG2  VAL  16          1HG2      VAL  16   3.544  -2.494   1.284
  146   2HG2  VAL  16          2HG2      VAL  16   3.821  -3.818   2.414
  147   3HG2  VAL  16          3HG2      VAL  16   4.316  -2.181   2.839
  148    H    LYS  17           H        LYS  17   4.828  -1.712   4.988
  149    HA   LYS  17           HA       LYS  17   4.523   1.262   4.919
  150   1HB   LYS  17          2HB       LYS  17   6.496   1.332   6.451
  151   2HB   LYS  17          1HB       LYS  17   5.104   0.515   7.153
  152   1HG   LYS  17          2HG       LYS  17   6.368  -1.594   5.971
  153   2HG   LYS  17          1HG       LYS  17   7.749  -0.582   6.389
  154   1HD   LYS  17          2HD       LYS  17   7.385  -0.771   8.656
  155   2HD   LYS  17          1HD       LYS  17   5.637  -0.931   8.467
  156   1HE   LYS  17          2HE       LYS  17   6.614  -3.193   7.190
  157   2HE   LYS  17          1HE       LYS  17   7.692  -3.015   8.578
  158   1HZ   LYS  17          1HZ       LYS  17   5.936  -4.231   9.422
  159   2HZ   LYS  17          2HZ       LYS  17   4.766  -3.372   8.539
  160   3HZ   LYS  17          3HZ       LYS  17   5.524  -2.649   9.877
  161    H    CYS  18           H        CYS  18   5.843   2.435   3.610
  162    HA   CYS  18           HA       CYS  18   8.272   1.245   2.428
  163   1HB   CYS  18          2HB       CYS  18   5.745   1.364   1.015
  164   2HB   CYS  18          1HB       CYS  18   6.942   2.383   0.214
  165    HG   CYS  18           HG       CYS  18   7.001  -0.661   0.325
  166    H    LEU  19           H        LEU  19   9.602   2.900   1.350
  167    HA   LEU  19           HA       LEU  19   9.347   5.517   2.624
  168   1HB   LEU  19          2HB       LEU  19  11.385   4.041   1.115
  169   2HB   LEU  19          1HB       LEU  19  11.328   5.749   0.692
  170    HG   LEU  19           HG       LEU  19  11.188   5.125   3.593
  171   1HD1  LEU  19          1HD1      LEU  19  12.940   3.655   3.369
  172   2HD1  LEU  19          2HD1      LEU  19  13.870   5.154   3.329
  173   3HD1  LEU  19          3HD1      LEU  19  13.455   4.335   1.824
  174   1HD2  LEU  19          1HD2      LEU  19  12.717   7.119   1.884
  175   2HD2  LEU  19          2HD2      LEU  19  12.713   7.101   3.647
  176   3HD2  LEU  19          3HD2      LEU  19  11.223   7.437   2.765
  177    H    ALA  20           H        ALA  20   8.814   7.470   1.604
  178    HA   ALA  20           HA       ALA  20   6.981   7.397  -0.589
  179   1HB   ALA  20          1HB       ALA  20   7.024   9.217   1.089
  180   2HB   ALA  20          2HB       ALA  20   7.140   9.854  -0.551
  181   3HB   ALA  20          3HB       ALA  20   8.582   9.753   0.459
  182    H    GLU  21           H        GLU  21  10.459   7.525  -0.515
  183    HA   GLU  21           HA       GLU  21  10.741   8.597  -3.225
  184   1HB   GLU  21          2HB       GLU  21  13.141   8.052  -2.932
  185   2HB   GLU  21          1HB       GLU  21  12.518   8.982  -1.571
  186   1HG   GLU  21          2HG       GLU  21  13.367   7.354  -0.249
  187   2HG   GLU  21          1HG       GLU  21  12.035   6.350  -0.815
  188    H    ASP  22           H        ASP  22  10.299   5.463  -1.765
  189    HA   ASP  22           HA       ASP  22  11.447   3.843  -3.825
  190   1HB   ASP  22          2HB       ASP  22   9.517   3.425  -1.599
  191   2HB   ASP  22          1HB       ASP  22   9.476   2.244  -2.907
  192    H    SER  23           H        SER  23  10.355   2.699  -5.548
  193    HA   SER  23           HA       SER  23   8.272   4.339  -6.826
  194   1HB   SER  23          2HB       SER  23   8.641   2.852  -8.775
  195   2HB   SER  23          1HB       SER  23  10.149   3.546  -8.189
  196    HG   SER  23           HG       SER  23   9.846   1.099  -8.607
  197    H    VAL  24           H        VAL  24   6.402   3.166  -7.908
  198    HA   VAL  24           HA       VAL  24   4.804   1.801  -5.972
  199    HB   VAL  24           HB       VAL  24   4.534   1.897  -8.995
  200   1HG1  VAL  24          1HG1      VAL  24   2.500   0.851  -8.833
  201   2HG1  VAL  24          2HG1      VAL  24   2.171   1.514  -7.233
  202   3HG1  VAL  24          3HG1      VAL  24   3.240   0.124  -7.408
  203   1HG2  VAL  24          1HG2      VAL  24   4.498   4.104  -7.862
  204   2HG2  VAL  24          2HG2      VAL  24   3.212   3.527  -6.802
  205   3HG2  VAL  24          3HG2      VAL  24   2.920   3.695  -8.532
  206    H    GLY  25           H        GLY  25   6.955   0.626  -8.536
  207   1HA   GLY  25          2HA       GLY  25   6.218  -2.119  -8.552
  208   2HA   GLY  25          1HA       GLY  25   7.836  -1.518  -8.920
  209    H    ASP  26           H        ASP  26   8.566  -0.370  -6.497
  210    HA   ASP  26           HA       ASP  26   9.330  -2.664  -4.921
  211   1HB   ASP  26          2HB       ASP  26  10.617  -0.489  -5.080
  212   2HB   ASP  26          1HB       ASP  26   9.374   0.249  -4.070
  213    H    PHE  27           H        PHE  27   6.812  -0.183  -4.612
  214    HA   PHE  27           HA       PHE  27   5.879  -0.836  -1.994
  215   1HB   PHE  27          2HB       PHE  27   5.227   1.195  -3.330
  216   2HB   PHE  27          1HB       PHE  27   4.237   0.154  -4.350
  217    HD1  PHE  27           HD1      PHE  27   4.811   0.483  -0.643
  218    HD2  PHE  27           HD2      PHE  27   1.975   0.309  -3.864
  219    HE1  PHE  27           HE1      PHE  27   2.951   0.654   0.984
  220    HE2  PHE  27           HE2      PHE  27   0.115   0.478  -2.236
  221    HZ   PHE  27           HZ       PHE  27   0.602   0.650   0.188
  222    H    LYS  28           H        LYS  28   5.043  -2.134  -5.203
  223    HA   LYS  28           HA       LYS  28   2.994  -3.946  -4.240
  224   1HB   LYS  28          2HB       LYS  28   4.596  -3.780  -6.802
  225   2HB   LYS  28          1HB       LYS  28   3.420  -5.063  -6.513
  226   1HG   LYS  28          2HG       LYS  28   1.623  -3.484  -6.305
  227   2HG   LYS  28          1HG       LYS  28   2.743  -2.122  -6.269
  228   1HD   LYS  28          2HD       LYS  28   3.444  -2.637  -8.583
  229   2HD   LYS  28          1HD       LYS  28   2.314  -3.991  -8.621
  230   1HE   LYS  28          2HE       LYS  28   0.425  -2.568  -8.530
  231   2HE   LYS  28          1HE       LYS  28   1.380  -1.194  -7.978
  232   1HZ   LYS  28          1HZ       LYS  28   1.534  -2.464 -10.659
  233   2HZ   LYS  28          2HZ       LYS  28   2.505  -1.175 -10.129
  234   3HZ   LYS  28          3HZ       LYS  28   0.829  -0.963 -10.304
  235    H    LYS  29           H        LYS  29   6.493  -4.161  -4.726
  236    HA   LYS  29           HA       LYS  29   6.743  -7.010  -4.472
  237   1HB   LYS  29          2HB       LYS  29   8.621  -4.689  -4.080
  238   2HB   LYS  29          1HB       LYS  29   9.128  -6.325  -3.657
  239   1HG   LYS  29          2HG       LYS  29   8.550  -7.078  -5.951
  240   2HG   LYS  29          1HG       LYS  29   8.114  -5.420  -6.367
  241   1HD   LYS  29          2HD       LYS  29  10.636  -5.143  -5.243
  242   2HD   LYS  29          1HD       LYS  29  10.766  -6.644  -6.157
  243   1HE   LYS  29          2HE       LYS  29  10.802  -5.524  -8.110
  244   2HE   LYS  29          1HE       LYS  29   9.317  -4.668  -7.695
  245   1HZ   LYS  29          1HZ       LYS  29  11.000  -3.380  -6.136
  246   2HZ   LYS  29          2HZ       LYS  29  10.733  -2.923  -7.750
  247   3HZ   LYS  29          3HZ       LYS  29  12.096  -3.852  -7.342
  248    H    VAL  30           H        VAL  30   6.833  -4.373  -2.064
  249    HA   VAL  30           HA       VAL  30   7.410  -6.101   0.180
  250    HB   VAL  30           HB       VAL  30   6.053  -3.381   0.159
  251   1HG1  VAL  30          1HG1      VAL  30   7.263  -3.424   2.506
  252   2HG1  VAL  30          2HG1      VAL  30   7.154  -5.172   2.304
  253   3HG1  VAL  30          3HG1      VAL  30   5.687  -4.193   2.313
  254   1HG2  VAL  30          1HG2      VAL  30   8.141  -2.396   0.121
  255   2HG2  VAL  30          2HG2      VAL  30   8.515  -3.841  -0.817
  256   3HG2  VAL  30          3HG2      VAL  30   8.922  -3.774   0.897
  257    H    LEU  31           H        LEU  31   4.418  -4.960  -1.351
  258    HA   LEU  31           HA       LEU  31   2.641  -6.021   0.674
  259   1HB   LEU  31          2HB       LEU  31   2.369  -4.891  -2.068
  260   2HB   LEU  31          1HB       LEU  31   1.066  -5.944  -1.517
  261    HG   LEU  31           HG       LEU  31   2.023  -3.905   0.425
  262   1HD1  LEU  31          1HD1      LEU  31   1.534  -3.078  -2.185
  263   2HD1  LEU  31          2HD1      LEU  31   1.456  -2.061  -0.747
  264   3HD1  LEU  31          3HD1      LEU  31  -0.009  -2.817  -1.373
  265   1HD2  LEU  31          1HD2      LEU  31  -0.424  -5.431  -0.264
  266   2HD2  LEU  31          2HD2      LEU  31  -0.700  -3.787   0.310
  267   3HD2  LEU  31          3HD2      LEU  31   0.185  -4.934   1.314
  268    H    SER  32           H        SER  32   3.652  -7.215  -2.552
  269    HA   SER  32           HA       SER  32   2.204  -9.627  -2.601
  270   1HB   SER  32          2HB       SER  32   3.977 -10.462  -4.131
  271   2HB   SER  32          1HB       SER  32   3.456  -8.832  -4.539
  272    HG   SER  32           HG       SER  32   5.792  -9.221  -4.449
  273    H    LEU  33           H        LEU  33   4.925  -8.818  -0.574
  274    HA   LEU  33           HA       LEU  33   5.747 -11.555  -0.051
  275   1HB   LEU  33          2HB       LEU  33   6.556  -8.883   0.766
  276   2HB   LEU  33          1HB       LEU  33   6.510  -9.978   2.146
  277    HG   LEU  33           HG       LEU  33   8.726  -9.994   1.033
  278   1HD1  LEU  33          1HD1      LEU  33   8.083 -12.017   2.176
  279   2HD1  LEU  33          2HD1      LEU  33   8.833 -12.490   0.651
  280   3HD1  LEU  33          3HD1      LEU  33   7.077 -12.528   0.820
  281   1HD2  LEU  33          1HD2      LEU  33   8.964 -10.151  -1.211
  282   2HD2  LEU  33          2HD2      LEU  33   7.226  -9.870  -1.311
  283   3HD2  LEU  33          3HD2      LEU  33   7.854 -11.519  -1.308
  284    H    GLN  34           H        GLN  34   3.612  -9.217   1.620
  285    HA   GLN  34           HA       GLN  34   3.043 -11.128   3.768
  286   1HB   GLN  34          2HB       GLN  34   1.558  -9.410   4.660
  287   2HB   GLN  34          1HB       GLN  34   3.102  -8.691   4.210
  288   1HG   GLN  34          2HG       GLN  34   2.073  -8.008   2.021
  289   2HG   GLN  34          1HG       GLN  34   0.520  -8.587   2.623
  290   1HE2  GLN  34          1HE2      GLN  34   2.952  -6.043   2.960
  291   2HE2  GLN  34          2HE2      GLN  34   2.029  -5.049   3.980
  292    H    ILE  35           H        ILE  35   1.365 -10.021   0.822
  293    HA   ILE  35           HA       ILE  35  -0.983 -11.693   1.527
  294    HB   ILE  35           HB       ILE  35  -1.761 -10.859  -0.834
  295   1HG1  ILE  35          2HG1      ILE  35   0.304  -8.746  -0.167
  296   2HG1  ILE  35          1HG1      ILE  35   0.525  -9.963  -1.422
  297   1HG2  ILE  35          1HG2      ILE  35  -2.722  -8.901   0.186
  298   2HG2  ILE  35          2HG2      ILE  35  -1.452  -8.854   1.410
  299   3HG2  ILE  35          3HG2      ILE  35  -2.635 -10.163   1.415
  300   1HD1  ILE  35          1HD1      ILE  35  -0.331  -7.833  -2.355
  301   2HD1  ILE  35          2HD1      ILE  35  -1.745  -7.952  -1.310
  302   3HD1  ILE  35          3HD1      ILE  35  -1.486  -9.144  -2.581
  303    H    GLY  36           H        GLY  36   1.851 -11.827  -0.518
  304   1HA   GLY  36          2HA       GLY  36   2.701 -13.626  -1.777
  305   2HA   GLY  36          1HA       GLY  36   1.419 -14.632  -1.094
  306    H    THR  37           H        THR  37   1.209 -11.647  -3.022
  307    HA   THR  37           HA       THR  37  -0.429 -13.154  -5.023
  308    HB   THR  37           HB       THR  37  -0.644 -10.177  -4.685
  309    HG1  THR  37           HG1      THR  37  -1.944 -12.116  -3.068
  310   1HG2  THR  37          1HG2      THR  37  -3.136 -11.486  -4.968
  311   2HG2  THR  37          2HG2      THR  37  -2.021 -12.282  -6.079
  312   3HG2  THR  37          3HG2      THR  37  -2.274 -10.539  -6.181
  313    H    GLN  38           H        GLN  38   2.588 -11.870  -4.642
  314    HA   GLN  38           HA       GLN  38   4.275 -11.285  -6.146
  315   1HB   GLN  38          2HB       GLN  38   2.161 -12.277  -8.060
  316   2HB   GLN  38          1HB       GLN  38   3.676 -11.596  -8.649
  317   1HG   GLN  38          2HG       GLN  38   4.835 -13.454  -8.097
  318   2HG   GLN  38          1HG       GLN  38   4.098 -13.526  -6.496
  319   1HE2  GLN  38          1HE2      GLN  38   2.037 -14.703  -6.282
  320   2HE2  GLN  38          2HE2      GLN  38   1.539 -15.804  -7.474
  321    HA   PRO  39           HA       PRO  39   3.429  -7.066  -7.046
  322   1HB   PRO  39          2HB       PRO  39   5.599  -6.516  -8.652
  323   2HB   PRO  39          1HB       PRO  39   5.688  -6.670  -6.889
  324   1HG   PRO  39          2HG       PRO  39   6.563  -8.602  -8.992
  325   2HG   PRO  39          1HG       PRO  39   7.189  -8.369  -7.352
  326   1HD   PRO  39          2HD       PRO  39   5.462 -10.441  -8.153
  327   2HD   PRO  39          1HD       PRO  39   5.767  -9.944  -6.475
  328    H    ASN  40           H        ASN  40   3.619  -9.448  -9.563
  329    HA   ASN  40           HA       ASN  40   2.797  -7.607 -11.706
  330   1HB   ASN  40          2HB       ASN  40   3.646 -10.441 -11.492
  331   2HB   ASN  40          1HB       ASN  40   2.480 -10.089 -12.768
  332   1HD2  ASN  40          1HD2      ASN  40   5.785  -9.496 -11.670
  333   2HD2  ASN  40          2HD2      ASN  40   6.303  -8.706 -13.080
  334    H    LYS  41           H        LYS  41   1.248  -9.561  -9.292
  335    HA   LYS  41           HA       LYS  41  -1.332  -9.456 -10.799
  336   1HB   LYS  41          2HB       LYS  41  -0.095 -11.464  -9.153
  337   2HB   LYS  41          1HB       LYS  41  -1.613 -10.965  -8.408
  338   1HG   LYS  41          2HG       LYS  41  -2.568 -11.179 -10.840
  339   2HG   LYS  41          1HG       LYS  41  -1.148 -12.194 -11.108
  340   1HD   LYS  41          2HD       LYS  41  -2.097 -13.111  -8.676
  341   2HD   LYS  41          1HD       LYS  41  -3.581 -12.763  -9.564
  342   1HE   LYS  41          2HE       LYS  41  -3.285 -14.529 -10.936
  343   2HE   LYS  41          1HE       LYS  41  -1.604 -14.096 -11.244
  344   1HZ   LYS  41          1HZ       LYS  41  -2.312 -16.260  -9.898
  345   2HZ   LYS  41          2HZ       LYS  41  -2.201 -15.167  -8.603
  346   3HZ   LYS  41          3HZ       LYS  41  -0.860 -15.435  -9.610
  347    H    ILE  42           H        ILE  42   0.281  -7.592  -8.586
  348    HA   ILE  42           HA       ILE  42  -2.140  -7.042  -6.940
  349    HB   ILE  42           HB       ILE  42   0.766  -6.244  -6.613
  350   1HG1  ILE  42          2HG1      ILE  42  -1.045  -7.699  -4.677
  351   2HG1  ILE  42          1HG1      ILE  42  -0.150  -8.564  -5.927
  352   1HG2  ILE  42          1HG2      ILE  42  -1.584  -5.463  -4.862
  353   2HG2  ILE  42          2HG2      ILE  42  -0.790  -4.372  -5.995
  354   3HG2  ILE  42          3HG2      ILE  42   0.104  -5.016  -4.619
  355   1HD1  ILE  42          1HD1      ILE  42   1.054  -8.442  -3.721
  356   2HD1  ILE  42          2HD1      ILE  42   1.136  -6.692  -3.921
  357   3HD1  ILE  42          3HD1      ILE  42   1.962  -7.751  -5.065
  358    H    VAL  43           H        VAL  43  -3.415  -5.392  -7.518
  359    HA   VAL  43           HA       VAL  43  -2.280  -3.190  -9.205
  360    HB   VAL  43           HB       VAL  43  -5.165  -4.130  -8.967
  361   1HG1  VAL  43          1HG1      VAL  43  -4.183  -1.645  -9.738
  362   2HG1  VAL  43          2HG1      VAL  43  -5.765  -2.303 -10.156
  363   3HG1  VAL  43          3HG1      VAL  43  -4.410  -2.488 -11.270
  364   1HG2  VAL  43          1HG2      VAL  43  -4.171  -5.813 -10.242
  365   2HG2  VAL  43          2HG2      VAL  43  -2.956  -4.726 -10.917
  366   3HG2  VAL  43          3HG2      VAL  43  -4.620  -4.657 -11.496
  367    H    LEU  44           H        LEU  44  -1.753  -1.599  -7.710
  368    HA   LEU  44           HA       LEU  44  -3.641  -1.079  -5.469
  369   1HB   LEU  44          2HB       LEU  44  -0.805  -0.160  -5.996
  370   2HB   LEU  44          1HB       LEU  44  -1.776   0.418  -4.642
  371    HG   LEU  44           HG       LEU  44  -1.662  -2.531  -5.006
  372   1HD1  LEU  44          1HD1      LEU  44   0.576  -2.717  -4.927
  373   2HD1  LEU  44          2HD1      LEU  44   0.588  -1.813  -3.413
  374   3HD1  LEU  44          3HD1      LEU  44   0.739  -0.962  -4.950
  375   1HD2  LEU  44          1HD2      LEU  44  -2.873  -1.332  -3.154
  376   2HD2  LEU  44          2HD2      LEU  44  -1.313  -0.749  -2.574
  377   3HD2  LEU  44          3HD2      LEU  44  -1.663  -2.477  -2.577
  378    H    GLN  45           H        GLN  45  -4.564   0.975  -5.124
  379    HA   GLN  45           HA       GLN  45  -4.250   2.978  -7.320
  380   1HB   GLN  45          2HB       GLN  45  -6.957   2.662  -6.114
  381   2HB   GLN  45          1HB       GLN  45  -6.508   3.108  -7.756
  382   1HG   GLN  45          2HG       GLN  45  -5.730   0.677  -8.039
  383   2HG   GLN  45          1HG       GLN  45  -6.585   0.343  -6.532
  384   1HE2  GLN  45          1HE2      GLN  45  -6.994   0.573  -9.916
  385   2HE2  GLN  45          2HE2      GLN  45  -8.691   0.634  -9.944
  386    H    LYS  46           H        LYS  46  -4.015   5.053  -6.556
  387    HA   LYS  46           HA       LYS  46  -4.333   5.463  -3.620
  388   1HB   LYS  46          2HB       LYS  46  -2.194   6.038  -5.179
  389   2HB   LYS  46          1HB       LYS  46  -3.063   7.567  -5.297
  390   1HG   LYS  46          2HG       LYS  46  -3.165   6.756  -2.570
  391   2HG   LYS  46          1HG       LYS  46  -1.496   6.569  -3.106
  392   1HD   LYS  46          2HD       LYS  46  -1.188   8.813  -3.348
  393   2HD   LYS  46          1HD       LYS  46  -2.803   9.057  -4.015
  394   1HE   LYS  46          2HE       LYS  46  -3.267   8.310  -1.364
  395   2HE   LYS  46          1HE       LYS  46  -1.876   9.388  -1.271
  396   1HZ   LYS  46          1HZ       LYS  46  -3.832  10.702  -1.151
  397   2HZ   LYS  46          2HZ       LYS  46  -4.506   9.953  -2.518
  398   3HZ   LYS  46          3HZ       LYS  46  -3.150  10.964  -2.680
  399    H    GLY  47           H        GLY  47  -6.523   5.956  -3.410
  400   1HA   GLY  47          2HA       GLY  47  -8.337   7.457  -3.308
  401   2HA   GLY  47          1HA       GLY  47  -7.354   8.636  -4.177
  402    H    GLY  48           H        GLY  48  -7.332   8.567  -6.498
  403   1HA   GLY  48          2HA       GLY  48  -9.323   6.757  -7.785
  404   2HA   GLY  48          1HA       GLY  48  -9.458   8.498  -8.040
  405    H    SER  49           H        SER  49  -6.620   6.317  -7.934
  406    HA   SER  49           HA       SER  49  -6.092   6.774 -10.798
  407   1HB   SER  49          2HB       SER  49  -3.810   7.682 -10.358
  408   2HB   SER  49          1HB       SER  49  -5.082   8.768  -9.806
  409    HG   SER  49           HG       SER  49  -3.328   8.372  -8.283
  410    H    VAL  50           H        VAL  50  -4.903   5.087 -11.668
  411    HA   VAL  50           HA       VAL  50  -4.380   2.781  -9.935
  412    HB   VAL  50           HB       VAL  50  -3.785   3.156 -12.891
  413   1HG1  VAL  50          1HG1      VAL  50  -4.109   0.541 -12.661
  414   2HG1  VAL  50          2HG1      VAL  50  -3.660   0.844 -10.982
  415   3HG1  VAL  50          3HG1      VAL  50  -2.551   1.278 -12.283
  416   1HG2  VAL  50          1HG2      VAL  50  -5.903   1.800 -13.153
  417   2HG2  VAL  50          2HG2      VAL  50  -6.163   3.425 -12.521
  418   3HG2  VAL  50          3HG2      VAL  50  -6.198   2.039 -11.431
  419    H    LEU  51           H        LEU  51  -2.428   2.264  -9.061
  420    HA   LEU  51           HA       LEU  51  -0.150   4.072  -9.528
  421   1HB   LEU  51          2HB       LEU  51  -0.297   1.648  -7.711
  422   2HB   LEU  51          1HB       LEU  51   0.890   2.951  -7.648
  423    HG   LEU  51           HG       LEU  51  -2.086   3.207  -7.113
  424   1HD1  LEU  51          1HD1      LEU  51  -0.097   4.032  -5.097
  425   2HD1  LEU  51          2HD1      LEU  51  -0.120   2.301  -5.432
  426   3HD1  LEU  51          3HD1      LEU  51  -1.590   3.115  -4.899
  427   1HD2  LEU  51          1HD2      LEU  51  -0.927   5.178  -8.283
  428   2HD2  LEU  51          2HD2      LEU  51   0.032   5.349  -6.813
  429   3HD2  LEU  51          3HD2      LEU  51  -1.720   5.539  -6.751
  430    H    LYS  52           H        LYS  52   1.486   3.626 -10.900
  431    HA   LYS  52           HA       LYS  52   1.775   0.816 -11.889
  432   1HB   LYS  52          2HB       LYS  52   1.098   2.867 -13.455
  433   2HB   LYS  52          1HB       LYS  52   2.840   3.131 -13.454
  434   1HG   LYS  52          2HG       LYS  52   2.471   1.689 -15.295
  435   2HG   LYS  52          1HG       LYS  52   3.052   0.627 -14.013
  436   1HD   LYS  52          2HD       LYS  52   0.186   0.924 -13.829
  437   2HD   LYS  52          1HD       LYS  52   0.637   0.391 -15.449
  438   1HE   LYS  52          2HE       LYS  52   1.745  -1.540 -14.631
  439   2HE   LYS  52          1HE       LYS  52   1.813  -0.908 -12.986
  440   1HZ   LYS  52          1HZ       LYS  52  -0.716  -1.570 -14.393
  441   2HZ   LYS  52          2HZ       LYS  52  -0.534  -1.151 -12.758
  442   3HZ   LYS  52          3HZ       LYS  52   0.082  -2.628 -13.336
  443    H    ASP  53           H        ASP  53   3.854  -0.054 -11.973
  444    HA   ASP  53           HA       ASP  53   5.785   0.800 -10.083
  445   1HB   ASP  53          2HB       ASP  53   7.296  -0.824 -11.160
  446   2HB   ASP  53          1HB       ASP  53   5.679  -1.502 -10.975
  447    H    HIS  54           H        HIS  54   5.315   1.770 -13.421
  448    HA   HIS  54           HA       HIS  54   7.937   2.849 -13.899
  449   1HB   HIS  54          2HB       HIS  54   5.238   3.506 -15.112
  450   2HB   HIS  54          1HB       HIS  54   6.767   4.147 -15.713
  451    HD1  HIS  54           HD1      HIS  54   4.669   1.078 -15.666
  452    HD2  HIS  54           HD2      HIS  54   8.519   2.142 -16.857
  453    HE1  HIS  54           HE1      HIS  54   5.532  -0.832 -17.086
  454    H    ILE  55           H        ILE  55   5.321   3.990 -11.938
  455    HA   ILE  55           HA       ILE  55   6.516   6.732 -11.886
  456    HB   ILE  55           HB       ILE  55   3.772   5.791 -10.986
  457   1HG1  ILE  55          2HG1      ILE  55   3.357   7.642 -12.933
  458   2HG1  ILE  55          1HG1      ILE  55   4.866   6.928 -13.502
  459   1HG2  ILE  55          1HG2      ILE  55   3.381   8.315 -10.871
  460   2HG2  ILE  55          2HG2      ILE  55   5.134   8.493 -10.954
  461   3HG2  ILE  55          3HG2      ILE  55   4.397   7.636  -9.600
  462   1HD1  ILE  55          1HD1      ILE  55   3.648   5.234 -14.350
  463   2HD1  ILE  55          2HD1      ILE  55   2.186   5.821 -13.557
  464   3HD1  ILE  55          3HD1      ILE  55   3.289   4.749 -12.694
  465    H    SER  56           H        SER  56   6.989   7.668  -9.819
  466    HA   SER  56           HA       SER  56   7.685   5.674  -7.767
  467   1HB   SER  56          2HB       SER  56   9.002   7.870  -8.642
  468   2HB   SER  56          1HB       SER  56   8.165   8.554  -7.252
  469    HG   SER  56           HG       SER  56  10.289   7.535  -6.876
  470    H    LEU  57           H        LEU  57   7.105   5.993  -5.488
  471    HA   LEU  57           HA       LEU  57   4.313   6.455  -5.071
  472   1HB   LEU  57          2HB       LEU  57   6.646   6.301  -3.142
  473   2HB   LEU  57          1HB       LEU  57   4.975   6.474  -2.606
  474    HG   LEU  57           HG       LEU  57   5.763   4.276  -4.515
  475   1HD1  LEU  57          1HD1      LEU  57   5.527   3.166  -1.943
  476   2HD1  LEU  57          2HD1      LEU  57   6.569   4.573  -1.741
  477   3HD1  LEU  57          3HD1      LEU  57   7.004   3.314  -2.896
  478   1HD2  LEU  57          1HD2      LEU  57   3.342   4.930  -4.049
  479   2HD2  LEU  57          2HD2      LEU  57   3.604   4.393  -2.390
  480   3HD2  LEU  57          3HD2      LEU  57   3.741   3.244  -3.721
  481    H    GLU  58           H        GLU  58   7.150   8.543  -4.621
  482    HA   GLU  58           HA       GLU  58   5.855  10.695  -3.266
  483   1HB   GLU  58          2HB       GLU  58   7.738  12.083  -4.084
  484   2HB   GLU  58          1HB       GLU  58   8.302  10.545  -3.437
  485   1HG   GLU  58          2HG       GLU  58   8.254   9.654  -5.822
  486   2HG   GLU  58          1HG       GLU  58   7.993  11.315  -6.350
  487    H    ASP  59           H        ASP  59   5.970   9.824  -6.689
  488    HA   ASP  59           HA       ASP  59   4.971  12.324  -7.722
  489   1HB   ASP  59          2HB       ASP  59   4.896   9.494  -8.807
  490   2HB   ASP  59          1HB       ASP  59   4.298  10.885  -9.709
  491    H    TYR  60           H        TYR  60   3.373   9.280  -6.752
  492    HA   TYR  60           HA       TYR  60   0.697  10.219  -7.350
  493   1HB   TYR  60          2HB       TYR  60   1.788   7.913  -5.729
  494   2HB   TYR  60          1HB       TYR  60   0.058   8.240  -5.831
  495    HD1  TYR  60           HD1      TYR  60  -0.825   8.688  -8.318
  496    HD2  TYR  60           HD2      TYR  60   2.724   6.483  -7.314
  497    HE1  TYR  60           HE1      TYR  60  -0.910   7.548 -10.518
  498    HE2  TYR  60           HE2      TYR  60   2.637   5.345  -9.514
  499    HH   TYR  60           HH       TYR  60   0.002   5.225 -11.423
  500    H    GLU  61           H        GLU  61   2.878  10.790  -4.742
  501    HA   GLU  61           HA       GLU  61   2.664  12.199  -2.892
  502   1HB   GLU  61          2HB       GLU  61   0.622  13.072  -4.528
  503   2HB   GLU  61          1HB       GLU  61  -0.244  12.631  -3.056
  504   1HG   GLU  61          2HG       GLU  61   0.393  14.890  -2.714
  505   2HG   GLU  61          1HG       GLU  61   1.577  13.956  -1.800
  506    H    VAL  62           H        VAL  62   2.797   9.636  -2.317
  507    HA   VAL  62           HA       VAL  62   0.470   8.729  -0.752
  508    HB   VAL  62           HB       VAL  62   3.256   7.543  -1.015
  509   1HG1  VAL  62          1HG1      VAL  62   0.709   6.189  -0.097
  510   2HG1  VAL  62          2HG1      VAL  62   1.860   6.908   1.028
  511   3HG1  VAL  62          3HG1      VAL  62   2.357   5.569  -0.005
  512   1HG2  VAL  62          1HG2      VAL  62   0.863   7.495  -2.726
  513   2HG2  VAL  62          2HG2      VAL  62   1.470   5.889  -2.325
  514   3HG2  VAL  62          3HG2      VAL  62   2.527   7.060  -3.112
  515    H    HIS  63           H        HIS  63   0.156   9.594   1.245
  516    HA   HIS  63           HA       HIS  63   2.503  10.637   2.750
  517   1HB   HIS  63          2HB       HIS  63  -0.476  11.100   2.984
  518   2HB   HIS  63          1HB       HIS  63   0.663  11.651   4.214
  519    HD1  HIS  63           HD1      HIS  63  -0.636  12.457   0.848
  520    HD2  HIS  63           HD2      HIS  63   2.594  13.606   3.219
  521    HE1  HIS  63           HE1      HIS  63   0.313  14.557  -0.202
  522    H    ASP  64           H        ASP  64   2.205  10.393   5.244
  523    HA   ASP  64           HA       ASP  64   2.289   7.580   5.875
  524   1HB   ASP  64          2HB       ASP  64   3.436   9.635   7.056
  525   2HB   ASP  64          1HB       ASP  64   1.935   9.699   7.980
  526    H    GLN  65           H        GLN  65   0.747   6.275   6.789
  527    HA   GLN  65           HA       GLN  65  -1.372   5.507   7.387
  528   1HB   GLN  65          2HB       GLN  65  -1.458   8.308   8.534
  529   2HB   GLN  65          1HB       GLN  65  -2.757   7.140   8.771
  530   1HG   GLN  65          2HG       GLN  65   0.116   6.469   9.423
  531   2HG   GLN  65          1HG       GLN  65  -0.943   7.248  10.598
  532   1HE2  GLN  65          1HE2      GLN  65  -0.482   4.259   8.706
  533   2HE2  GLN  65          2HE2      GLN  65  -1.541   3.312   9.633
  534    H    THR  66           H        THR  66  -1.073   6.418   4.721
  535    HA   THR  66           HA       THR  66  -3.521   7.961   4.098
  536    HB   THR  66           HB       THR  66  -1.314   8.340   2.892
  537    HG1  THR  66           HG1      THR  66  -2.700   9.137   1.560
  538   1HG2  THR  66          1HG2      THR  66  -1.248   5.616   2.663
  539   2HG2  THR  66          2HG2      THR  66  -0.322   6.720   1.647
  540   3HG2  THR  66          3HG2      THR  66  -1.862   6.080   1.076
  541    H    ASN  67           H        ASN  67  -5.129   7.067   2.581
  542    HA   ASN  67           HA       ASN  67  -5.509   4.152   3.034
  543   1HB   ASN  67          2HB       ASN  67  -7.291   6.474   2.653
  544   2HB   ASN  67          1HB       ASN  67  -7.800   5.016   1.802
  545   1HD2  ASN  67          1HD2      ASN  67  -8.293   3.091   3.106
  546   2HD2  ASN  67          2HD2      ASN  67  -8.561   3.215   4.777
  547    H    LEU  68           H        LEU  68  -5.248   2.725   1.407
  548    HA   LEU  68           HA       LEU  68  -5.157   3.756  -1.404
  549   1HB   LEU  68          2HB       LEU  68  -3.274   1.990   0.111
  550   2HB   LEU  68          1HB       LEU  68  -3.517   1.664  -1.604
  551    HG   LEU  68           HG       LEU  68  -3.112   4.514  -0.932
  552   1HD1  LEU  68          1HD1      LEU  68  -0.891   2.469  -0.625
  553   2HD1  LEU  68          2HD1      LEU  68  -1.532   3.508   0.647
  554   3HD1  LEU  68          3HD1      LEU  68  -0.649   4.214  -0.707
  555   1HD2  LEU  68          1HD2      LEU  68  -1.274   3.549  -2.846
  556   2HD2  LEU  68          2HD2      LEU  68  -2.776   4.415  -3.160
  557   3HD2  LEU  68          3HD2      LEU  68  -2.769   2.653  -3.125
  558    H    GLU  69           H        GLU  69  -5.637   2.048  -3.035
  559    HA   GLU  69           HA       GLU  69  -7.681   0.135  -1.992
  560   1HB   GLU  69          2HB       GLU  69  -7.281   1.369  -4.732
  561   2HB   GLU  69          1HB       GLU  69  -8.452   0.093  -4.403
  562   1HG   GLU  69          2HG       GLU  69  -9.881   1.787  -3.914
  563   2HG   GLU  69          1HG       GLU  69  -8.993   1.901  -2.394
  564    H    LEU  70           H        LEU  70  -7.567  -2.063  -2.627
  565    HA   LEU  70           HA       LEU  70  -5.045  -2.876  -4.015
  566   1HB   LEU  70          2HB       LEU  70  -4.869  -3.342  -1.606
  567   2HB   LEU  70          1HB       LEU  70  -6.390  -4.233  -1.655
  568    HG   LEU  70           HG       LEU  70  -5.411  -5.880  -3.183
  569   1HD1  LEU  70          1HD1      LEU  70  -2.947  -4.123  -2.973
  570   2HD1  LEU  70          2HD1      LEU  70  -3.877  -4.476  -4.430
  571   3HD1  LEU  70          3HD1      LEU  70  -2.942  -5.750  -3.651
  572   1HD2  LEU  70          1HD2      LEU  70  -3.230  -6.206  -1.457
  573   2HD2  LEU  70          2HD2      LEU  70  -4.847  -6.869  -1.231
  574   3HD2  LEU  70          3HD2      LEU  70  -4.418  -5.324  -0.499
  575    H    TYR  71           H        TYR  71  -5.383  -4.160  -5.754
  576    HA   TYR  71           HA       TYR  71  -7.918  -5.725  -5.931
  577   1HB   TYR  71          2HB       TYR  71  -6.815  -3.726  -7.896
  578   2HB   TYR  71          1HB       TYR  71  -7.796  -5.077  -8.464
  579    HD1  TYR  71           HD1      TYR  71  -7.788  -1.881  -6.729
  580    HD2  TYR  71           HD2      TYR  71 -10.132  -5.372  -7.605
  581    HE1  TYR  71           HE1      TYR  71  -9.842  -0.668  -6.061
  582    HE2  TYR  71           HE2      TYR  71 -12.188  -4.159  -6.935
  583    HH   TYR  71           HH       TYR  71 -12.120  -1.218  -5.248
  584    H    TYR  72           H        TYR  72  -7.728  -7.649  -7.214
  585    HA   TYR  72           HA       TYR  72  -4.895  -8.461  -7.720
  586   1HB   TYR  72          2HB       TYR  72  -7.330 -10.203  -7.220
  587   2HB   TYR  72          1HB       TYR  72  -5.679 -10.780  -7.450
  588    HD1  TYR  72           HD1      TYR  72  -3.990  -9.073  -5.905
  589    HD2  TYR  72           HD2      TYR  72  -7.966 -10.421  -4.987
  590    HE1  TYR  72           HE1      TYR  72  -3.543  -8.748  -3.488
  591    HE2  TYR  72           HE2      TYR  72  -7.516 -10.096  -2.570
  592    HH   TYR  72           HH       TYR  72  -4.687  -9.942  -1.233
  593    H    LEU  73           HN       LEU  73  -4.322  -8.617  -9.802
  594    HA   LEU  73           HA       LEU  73  -4.405  -9.087 -12.092
  595   1HB   LEU  73          2HB       LEU  73  -6.395 -10.761 -11.051
  596   2HB   LEU  73          1HB       LEU  73  -7.195  -9.882 -12.354
  597    HG   LEU  73           HG       LEU  73  -4.785 -10.471 -13.513
  598   1HD1  LEU  73          1HD1      LEU  73  -4.494 -12.949 -13.019
  599   2HD1  LEU  73          2HD1      LEU  73  -5.518 -12.705 -11.603
  600   3HD1  LEU  73          3HD1      LEU  73  -3.976 -11.859 -11.733
  601   1HD2  LEU  73          1HD2      LEU  73  -7.325 -12.132 -13.459
  602   2HD2  LEU  73          2HD2      LEU  73  -6.046 -12.308 -14.659
  603   3HD2  LEU  73          3HD2      LEU  73  -6.960 -10.805 -14.561
  Start of MODEL    4
    1    H    MET   1           1H       MET   1  10.083   7.342   4.964
    2    HA   MET   1           HA       MET   1   9.483   5.033   4.676
    3   1HB   MET   1          2HB       MET   1  11.136   4.745   6.982
    4   2HB   MET   1          1HB       MET   1   9.516   4.203   7.422
    5   1HG   MET   1          2HG       MET   1   9.463   2.600   5.659
    6   2HG   MET   1          1HG       MET   1  10.872   3.309   4.872
    7   1HE   MET   1          1HE       MET   1  11.858   0.515   4.921
    8   2HE   MET   1          2HE       MET   1  13.371   0.935   5.723
    9   3HE   MET   1          3HE       MET   1  12.597   2.099   4.650
   10    H    ILE   2           H        ILE   2   7.288   5.001   4.644
   11    HA   ILE   2           HA       ILE   2   5.828   6.334   6.890
   12    HB   ILE   2           HB       ILE   2   4.110   7.019   5.224
   13   1HG1  ILE   2          2HG1      ILE   2   6.055   6.448   3.013
   14   2HG1  ILE   2          1HG1      ILE   2   5.040   5.129   3.595
   15   1HG2  ILE   2          1HG2      ILE   2   6.054   8.452   3.867
   16   2HG2  ILE   2          2HG2      ILE   2   6.870   8.003   5.364
   17   3HG2  ILE   2          3HG2      ILE   2   5.353   8.900   5.422
   18   1HD1  ILE   2          1HD1      ILE   2   4.310   7.152   1.773
   19   2HD1  ILE   2          2HD1      ILE   2   3.460   7.530   3.271
   20   3HD1  ILE   2          3HD1      ILE   2   3.249   5.952   2.511
   21    H    GLU   3           H        GLU   3   3.590   5.509   7.180
   22    HA   GLU   3           HA       GLU   3   3.407   2.607   6.458
   23   1HB   GLU   3          2HB       GLU   3   3.496   3.697   8.974
   24   2HB   GLU   3          1HB       GLU   3   1.757   3.606   8.698
   25   1HG   GLU   3          2HG       GLU   3   3.481   1.238   8.028
   26   2HG   GLU   3          1HG       GLU   3   3.027   1.532   9.706
   27    H    VAL   4           H        VAL   4   1.622   1.993   5.279
   28    HA   VAL   4           HA       VAL   4  -0.663   3.920   5.123
   29    HB   VAL   4           HB       VAL   4  -0.859   3.419   2.705
   30   1HG1  VAL   4          1HG1      VAL   4   0.440   5.380   3.425
   31   2HG1  VAL   4          2HG1      VAL   4   1.156   4.663   1.981
   32   3HG1  VAL   4          3HG1      VAL   4   1.888   4.383   3.561
   33   1HG2  VAL   4          1HG2      VAL   4   0.555   1.977   1.572
   34   2HG2  VAL   4          2HG2      VAL   4   0.488   1.163   3.134
   35   3HG2  VAL   4          3HG2      VAL   4   1.869   2.183   2.730
   36    H    VAL   5           H        VAL   5  -2.721   2.949   4.593
   37    HA   VAL   5           HA       VAL   5  -2.867   0.067   5.370
   38    HB   VAL   5           HB       VAL   5  -5.272   0.569   5.895
   39   1HG1  VAL   5          1HG1      VAL   5  -2.903   1.606   7.266
   40   2HG1  VAL   5          2HG1      VAL   5  -4.287   0.731   7.920
   41   3HG1  VAL   5          3HG1      VAL   5  -4.373   2.479   7.699
   42   1HG2  VAL   5          1HG2      VAL   5  -4.722   2.929   4.428
   43   2HG2  VAL   5          2HG2      VAL   5  -4.973   3.442   6.096
   44   3HG2  VAL   5          3HG2      VAL   5  -6.221   2.517   5.260
   45    H    VAL   6           H        VAL   6  -3.328  -1.342   3.758
   46    HA   VAL   6           HA       VAL   6  -4.458  -0.263   1.217
   47    HB   VAL   6           HB       VAL   6  -3.300  -3.029   1.583
   48   1HG1  VAL   6          1HG1      VAL   6  -3.064  -1.305  -0.857
   49   2HG1  VAL   6          2HG1      VAL   6  -4.623  -2.045  -0.496
   50   3HG1  VAL   6          3HG1      VAL   6  -3.199  -3.060  -0.735
   51   1HG2  VAL   6          1HG2      VAL   6  -1.855  -0.720   2.130
   52   2HG2  VAL   6          2HG2      VAL   6  -1.506  -1.008   0.426
   53   3HG2  VAL   6          3HG2      VAL   6  -1.163  -2.259   1.621
   54    H    ASN   7           H        ASN   7  -6.591  -0.580   0.891
   55    HA   ASN   7           HA       ASN   7  -7.914  -2.870   2.286
   56   1HB   ASN   7          2HB       ASN   7  -8.977  -0.193   1.355
   57   2HB   ASN   7          1HB       ASN   7 -10.027  -1.513   1.875
   58   1HD2  ASN   7          1HD2      ASN   7  -7.440   0.684   3.009
   59   2HD2  ASN   7          2HD2      ASN   7  -7.777   0.485   4.661
   60    H    ASP   8           H        ASP   8  -8.273  -4.546   0.930
   61    HA   ASP   8           HA       ASP   8  -8.340  -4.208  -1.965
   62   1HB   ASP   8          2HB       ASP   8  -7.480  -6.256  -0.652
   63   2HB   ASP   8          1HB       ASP   8  -9.178  -6.693  -0.464
   64    H    ARG   9           H        ARG   9 -10.150  -4.344  -3.315
   65    HA   ARG   9           HA       ARG   9 -12.643  -3.385  -2.312
   66   1HB   ARG   9          2HB       ARG   9 -11.566  -3.614  -4.802
   67   2HB   ARG   9          1HB       ARG   9 -12.739  -4.929  -4.838
   68   1HG   ARG   9          2HG       ARG   9 -14.360  -3.131  -3.804
   69   2HG   ARG   9          1HG       ARG   9 -13.213  -1.983  -4.492
   70   1HD   ARG   9          2HD       ARG   9 -14.256  -2.244  -6.471
   71   2HD   ARG   9          1HD       ARG   9 -13.645  -3.895  -6.506
   72    HE   ARG   9           HE       ARG   9 -16.353  -3.079  -5.603
   73   1HH1  ARG   9          1HH2      ARG   9 -16.148  -4.923  -7.863
   74   2HH1  ARG   9          2HH2      ARG   9 -16.313  -6.481  -7.126
   75   1HH2  ARG   9          2HH1      ARG   9 -15.612  -5.321  -3.917
   76   2HH2  ARG   9          1HH1      ARG   9 -16.004  -6.714  -4.868
   77    H    LEU  10           H        LEU  10 -11.545  -6.702  -3.032
   78    HA   LEU  10           HA       LEU  10 -14.093  -7.975  -2.712
   79   1HB   LEU  10          2HB       LEU  10 -11.338  -8.796  -3.032
   80   2HB   LEU  10          1HB       LEU  10 -12.108  -9.763  -1.775
   81    HG   LEU  10           HG       LEU  10 -14.031  -9.562  -3.815
   82   1HD1  LEU  10          1HD1      LEU  10 -11.255 -10.081  -4.920
   83   2HD1  LEU  10          2HD1      LEU  10 -12.364  -8.794  -5.397
   84   3HD1  LEU  10          3HD1      LEU  10 -12.747 -10.474  -5.773
   85   1HD2  LEU  10          1HD2      LEU  10 -13.773 -11.948  -3.932
   86   2HD2  LEU  10          2HD2      LEU  10 -13.409 -11.491  -2.268
   87   3HD2  LEU  10          3HD2      LEU  10 -12.097 -11.858  -3.390
   88    H    GLY  11           H        GLY  11 -11.436  -7.442  -0.365
   89   1HA   GLY  11          2HA       GLY  11 -12.674  -6.640   1.872
   90   2HA   GLY  11          1HA       GLY  11 -13.195  -8.325   1.849
   91    H    LYS  12           H        LYS  12 -10.164  -6.459   1.436
   92    HA   LYS  12           HA       LYS  12  -8.846  -8.326   3.347
   93   1HB   LYS  12          2HB       LYS  12  -8.498  -8.761   0.730
   94   2HB   LYS  12          1HB       LYS  12  -7.306  -7.478   0.932
   95   1HG   LYS  12          2HG       LYS  12  -5.880  -9.006   1.751
   96   2HG   LYS  12          1HG       LYS  12  -6.951  -9.195   3.140
   97   1HD   LYS  12          2HD       LYS  12  -7.920 -11.114   2.310
   98   2HD   LYS  12          1HD       LYS  12  -7.706 -10.618   0.631
   99   1HE   LYS  12          2HE       LYS  12  -5.115 -10.862   1.350
  100   2HE   LYS  12          1HE       LYS  12  -5.829 -12.054   2.434
  101   1HZ   LYS  12          1HZ       LYS  12  -5.513 -12.128  -0.423
  102   2HZ   LYS  12          2HZ       LYS  12  -7.075 -12.555   0.089
  103   3HZ   LYS  12          3HZ       LYS  12  -5.722 -13.400   0.677
  104    H    LYS  13           H        LYS  13  -8.151  -6.982   4.945
  105    HA   LYS  13           HA       LYS  13  -7.128  -4.281   4.185
  106   1HB   LYS  13          2HB       LYS  13  -9.033  -4.824   6.007
  107   2HB   LYS  13          1HB       LYS  13  -7.613  -4.982   7.042
  108   1HG   LYS  13          2HG       LYS  13  -7.248  -2.667   5.409
  109   2HG   LYS  13          1HG       LYS  13  -8.864  -2.583   6.111
  110   1HD   LYS  13          2HD       LYS  13  -7.729  -1.692   7.891
  111   2HD   LYS  13          1HD       LYS  13  -7.469  -3.393   8.284
  112   1HE   LYS  13          2HE       LYS  13  -5.447  -2.786   6.442
  113   2HE   LYS  13          1HE       LYS  13  -5.530  -1.370   7.488
  114   1HZ   LYS  13          1HZ       LYS  13  -4.550  -3.981   8.060
  115   2HZ   LYS  13          2HZ       LYS  13  -5.731  -3.514   9.185
  116   3HZ   LYS  13          3HZ       LYS  13  -4.361  -2.544   8.937
  117    H    VAL  14           H        VAL  14  -4.945  -4.282   3.981
  118    HA   VAL  14           HA       VAL  14  -3.343  -5.811   5.997
  119    HB   VAL  14           HB       VAL  14  -2.592  -5.380   3.089
  120   1HG1  VAL  14          1HG1      VAL  14  -0.630  -5.663   4.427
  121   2HG1  VAL  14          2HG1      VAL  14  -0.949  -7.239   3.703
  122   3HG1  VAL  14          3HG1      VAL  14  -1.382  -6.938   5.386
  123   1HG2  VAL  14          1HG2      VAL  14  -4.365  -6.913   2.945
  124   2HG2  VAL  14          2HG2      VAL  14  -3.997  -7.634   4.513
  125   3HG2  VAL  14          3HG2      VAL  14  -2.968  -7.975   3.121
  126    H    ARG  15           H        ARG  15  -1.459  -4.793   6.743
  127    HA   ARG  15           HA       ARG  15  -1.248  -1.876   6.124
  128   1HB   ARG  15          2HB       ARG  15  -0.536  -3.553   8.530
  129   2HB   ARG  15          1HB       ARG  15   0.176  -1.957   8.296
  130   1HG   ARG  15          2HG       ARG  15  -2.558  -1.597   7.796
  131   2HG   ARG  15          1HG       ARG  15  -2.491  -2.659   9.202
  132   1HD   ARG  15          2HD       ARG  15  -0.616  -0.952   9.979
  133   2HD   ARG  15          1HD       ARG  15  -1.474   0.132   8.886
  134    HE   ARG  15           HE       ARG  15  -3.079  -1.304  10.926
  135   1HH1  ARG  15          2HH1      ARG  15  -1.227   0.901  11.998
  136   2HH1  ARG  15          1HH1      ARG  15  -2.295   2.263  11.988
  137   1HH2  ARG  15          1HH2      ARG  15  -4.639   0.740   9.910
  138   2HH2  ARG  15          2HH2      ARG  15  -4.240   2.174  10.797
  139    H    VAL  16           H        VAL  16   0.563  -1.172   5.058
  140    HA   VAL  16           HA       VAL  16   3.027  -2.833   5.185
  141    HB   VAL  16           HB       VAL  16   1.742  -3.469   3.134
  142   1HG1  VAL  16          1HG1      VAL  16   2.412  -0.949   1.754
  143   2HG1  VAL  16          2HG1      VAL  16   1.130  -0.802   2.956
  144   3HG1  VAL  16          3HG1      VAL  16   0.968  -1.953   1.631
  145   1HG2  VAL  16          1HG2      VAL  16   3.640  -3.500   1.730
  146   2HG2  VAL  16          2HG2      VAL  16   4.324  -3.373   3.351
  147   3HG2  VAL  16          3HG2      VAL  16   4.217  -1.943   2.324
  148    H    LYS  17           H        LYS  17   4.913  -1.624   5.185
  149    HA   LYS  17           HA       LYS  17   4.563   1.343   5.019
  150   1HB   LYS  17          2HB       LYS  17   6.481   1.530   6.538
  151   2HB   LYS  17          1HB       LYS  17   5.225   0.524   7.256
  152   1HG   LYS  17          2HG       LYS  17   6.811  -1.051   7.567
  153   2HG   LYS  17          1HG       LYS  17   6.819  -1.279   5.819
  154   1HD   LYS  17          2HD       LYS  17   8.428   0.812   5.852
  155   2HD   LYS  17          1HD       LYS  17   8.692   0.330   7.528
  156   1HE   LYS  17          2HE       LYS  17  10.288  -1.025   6.613
  157   2HE   LYS  17          1HE       LYS  17   8.914  -2.082   6.296
  158   1HZ   LYS  17          1HZ       LYS  17  10.542  -1.350   4.392
  159   2HZ   LYS  17          2HZ       LYS  17   9.522   0.008   4.336
  160   3HZ   LYS  17          3HZ       LYS  17   8.883  -1.549   4.101
  161    H    CYS  18           H        CYS  18   5.986   2.548   3.766
  162    HA   CYS  18           HA       CYS  18   8.316   1.288   2.486
  163   1HB   CYS  18          2HB       CYS  18   5.737   1.574   1.114
  164   2HB   CYS  18          1HB       CYS  18   7.060   2.362   0.255
  165    HG   CYS  18           HG       CYS  18   7.107  -0.117  -0.503
  166    H    LEU  19           H        LEU  19   9.508   2.940   1.126
  167    HA   LEU  19           HA       LEU  19   9.396   5.566   2.460
  168   1HB   LEU  19          2HB       LEU  19  11.332   4.106   0.727
  169   2HB   LEU  19          1HB       LEU  19  11.368   5.866   0.652
  170    HG   LEU  19           HG       LEU  19  11.159   5.014   3.402
  171   1HD1  LEU  19          1HD1      LEU  19  13.396   3.925   3.558
  172   2HD1  LEU  19          2HD1      LEU  19  13.465   3.871   1.795
  173   3HD1  LEU  19          3HD1      LEU  19  12.236   2.947   2.658
  174   1HD2  LEU  19          1HD2      LEU  19  12.495   6.828   3.616
  175   2HD2  LEU  19          2HD2      LEU  19  12.347   7.028   1.871
  176   3HD2  LEU  19          3HD2      LEU  19  13.715   6.139   2.544
  177    H    ALA  20           H        ALA  20   9.124   7.558   1.317
  178    HA   ALA  20           HA       ALA  20   7.160   7.511  -0.795
  179   1HB   ALA  20          1HB       ALA  20   7.070   9.450   0.524
  180   2HB   ALA  20          2HB       ALA  20   7.869  10.028  -0.939
  181   3HB   ALA  20          3HB       ALA  20   8.821   9.664   0.500
  182    H    GLU  21           H        GLU  21  10.644   7.459  -0.768
  183    HA   GLU  21           HA       GLU  21  10.960   8.378  -3.526
  184   1HB   GLU  21          2HB       GLU  21  13.325   7.697  -3.223
  185   2HB   GLU  21          1HB       GLU  21  12.773   8.728  -1.905
  186   1HG   GLU  21          2HG       GLU  21  13.513   7.117  -0.502
  187   2HG   GLU  21          1HG       GLU  21  12.138   6.154  -1.037
  188    H    ASP  22           H        ASP  22  10.298   5.354  -1.934
  189    HA   ASP  22           HA       ASP  22  11.331   3.589  -3.950
  190   1HB   ASP  22          2HB       ASP  22   9.473   3.354  -1.638
  191   2HB   ASP  22          1HB       ASP  22   9.308   2.134  -2.900
  192    H    SER  23           H        SER  23  10.160   2.482  -5.622
  193    HA   SER  23           HA       SER  23   8.090   4.161  -6.865
  194   1HB   SER  23          2HB       SER  23   8.365   2.656  -8.803
  195   2HB   SER  23          1HB       SER  23   9.917   3.277  -8.253
  196    HG   SER  23           HG       SER  23   9.830   0.962  -8.653
  197    H    VAL  24           H        VAL  24   6.144   3.064  -7.849
  198    HA   VAL  24           HA       VAL  24   4.562   1.767  -5.858
  199    HB   VAL  24           HB       VAL  24   4.211   1.843  -8.872
  200   1HG1  VAL  24          1HG1      VAL  24   2.124   1.290  -6.744
  201   2HG1  VAL  24          2HG1      VAL  24   2.912   0.028  -7.692
  202   3HG1  VAL  24          3HG1      VAL  24   1.905   1.233  -8.494
  203   1HG2  VAL  24          1HG2      VAL  24   2.344   3.490  -7.565
  204   2HG2  VAL  24          2HG2      VAL  24   3.745   4.019  -8.495
  205   3HG2  VAL  24          3HG2      VAL  24   3.877   3.798  -6.750
  206    H    GLY  25           H        GLY  25   6.647   0.500  -8.418
  207   1HA   GLY  25          2HA       GLY  25   5.788  -2.220  -8.397
  208   2HA   GLY  25          1HA       GLY  25   7.412  -1.679  -8.832
  209    H    ASP  26           H        ASP  26   8.342  -0.557  -6.515
  210    HA   ASP  26           HA       ASP  26   9.095  -2.807  -4.912
  211   1HB   ASP  26          2HB       ASP  26  10.301  -0.544  -5.148
  212   2HB   ASP  26          1HB       ASP  26   9.143   0.069  -3.967
  213    H    PHE  27           H        PHE  27   6.592  -0.316  -4.523
  214    HA   PHE  27           HA       PHE  27   5.743  -0.986  -1.883
  215   1HB   PHE  27          2HB       PHE  27   5.038   1.050  -3.204
  216   2HB   PHE  27          1HB       PHE  27   3.993   0.000  -4.159
  217    HD1  PHE  27           HD1      PHE  27   4.424   1.741  -0.992
  218    HD2  PHE  27           HD2      PHE  27   2.131  -1.255  -3.045
  219    HE1  PHE  27           HE1      PHE  27   2.666   1.889   0.748
  220    HE2  PHE  27           HE2      PHE  27   0.375  -1.105  -1.305
  221    HZ   PHE  27           HZ       PHE  27   0.643   0.465   0.591
  222    H    LYS  28           H        LYS  28   4.680  -2.187  -5.072
  223    HA   LYS  28           HA       LYS  28   2.713  -4.032  -4.052
  224   1HB   LYS  28          2HB       LYS  28   4.225  -3.866  -6.671
  225   2HB   LYS  28          1HB       LYS  28   3.015  -5.110  -6.352
  226   1HG   LYS  28          2HG       LYS  28   1.292  -3.456  -6.037
  227   2HG   LYS  28          1HG       LYS  28   2.469  -2.144  -6.080
  228   1HD   LYS  28          2HD       LYS  28   2.958  -2.569  -8.409
  229   2HD   LYS  28          1HD       LYS  28   1.977  -4.034  -8.395
  230   1HE   LYS  28          2HE       LYS  28  -0.042  -2.829  -8.235
  231   2HE   LYS  28          1HE       LYS  28   0.770  -1.366  -7.680
  232   1HZ   LYS  28          1HZ       LYS  28  -0.016  -1.608 -10.144
  233   2HZ   LYS  28          2HZ       LYS  28   1.455  -2.439 -10.323
  234   3HZ   LYS  28          3HZ       LYS  28   1.447  -0.830  -9.777
  235    H    LYS  29           H        LYS  29   6.193  -4.206  -4.531
  236    HA   LYS  29           HA       LYS  29   6.439  -7.078  -4.378
  237   1HB   LYS  29          2HB       LYS  29   8.406  -4.846  -3.786
  238   2HB   LYS  29          1HB       LYS  29   8.835  -6.557  -3.808
  239   1HG   LYS  29          2HG       LYS  29   7.488  -6.268  -6.198
  240   2HG   LYS  29          1HG       LYS  29   8.335  -4.728  -6.055
  241   1HD   LYS  29          2HD       LYS  29  10.161  -5.802  -6.827
  242   2HD   LYS  29          1HD       LYS  29  10.236  -6.588  -5.254
  243   1HE   LYS  29          2HE       LYS  29   8.348  -7.753  -7.232
  244   2HE   LYS  29          1HE       LYS  29  10.066  -7.986  -7.546
  245   1HZ   LYS  29          1HZ       LYS  29  10.357  -9.043  -5.485
  246   2HZ   LYS  29          2HZ       LYS  29   8.946  -9.725  -6.141
  247   3HZ   LYS  29          3HZ       LYS  29   8.835  -8.557  -4.913
  248    H    VAL  30           H        VAL  30   6.750  -4.473  -1.940
  249    HA   VAL  30           HA       VAL  30   7.294  -6.254   0.269
  250    HB   VAL  30           HB       VAL  30   6.112  -3.455   0.328
  251   1HG1  VAL  30          1HG1      VAL  30   7.851  -4.561   2.489
  252   2HG1  VAL  30          2HG1      VAL  30   6.188  -5.143   2.411
  253   3HG1  VAL  30          3HG1      VAL  30   6.511  -3.419   2.598
  254   1HG2  VAL  30          1HG2      VAL  30   8.531  -2.824   0.796
  255   2HG2  VAL  30          2HG2      VAL  30   8.208  -3.358  -0.853
  256   3HG2  VAL  30          3HG2      VAL  30   8.973  -4.456   0.295
  257    H    LEU  31           H        LEU  31   4.323  -4.789  -1.030
  258    HA   LEU  31           HA       LEU  31   2.577  -5.791   1.037
  259   1HB   LEU  31          2HB       LEU  31   1.997  -3.904  -0.496
  260   2HB   LEU  31          1HB       LEU  31   1.893  -5.055  -1.828
  261    HG   LEU  31           HG       LEU  31   0.159  -6.316  -0.488
  262   1HD1  LEU  31          1HD1      LEU  31   0.947  -5.154   1.689
  263   2HD1  LEU  31          2HD1      LEU  31  -0.787  -5.370   1.462
  264   3HD1  LEU  31          3HD1      LEU  31  -0.048  -3.797   1.163
  265   1HD2  LEU  31          1HD2      LEU  31  -0.750  -5.000  -2.205
  266   2HD2  LEU  31          2HD2      LEU  31  -0.226  -3.491  -1.457
  267   3HD2  LEU  31          3HD2      LEU  31  -1.587  -4.385  -0.779
  268    H    SER  32           H        SER  32   3.504  -7.013  -2.179
  269    HA   SER  32           HA       SER  32   1.788  -9.229  -2.411
  270   1HB   SER  32          2HB       SER  32   3.336  -8.500  -4.190
  271   2HB   SER  32          1HB       SER  32   4.704  -9.051  -3.231
  272    HG   SER  32           HG       SER  32   4.350 -10.917  -4.113
  273    H    LEU  33           H        LEU  33   4.673  -8.881  -0.387
  274    HA   LEU  33           HA       LEU  33   5.024 -11.675   0.203
  275   1HB   LEU  33          2HB       LEU  33   5.831  -9.143   1.644
  276   2HB   LEU  33          1HB       LEU  33   6.218 -10.743   2.276
  277    HG   LEU  33           HG       LEU  33   6.868 -10.168  -0.587
  278   1HD1  LEU  33          1HD1      LEU  33   8.826  -9.424   1.573
  279   2HD1  LEU  33          2HD1      LEU  33   7.642  -8.241   1.013
  280   3HD1  LEU  33          3HD1      LEU  33   8.801  -8.933  -0.122
  281   1HD2  LEU  33          1HD2      LEU  33   8.931 -11.539   0.277
  282   2HD2  LEU  33          2HD2      LEU  33   7.392 -12.368   0.042
  283   3HD2  LEU  33          3HD2      LEU  33   7.896 -11.886   1.663
  284    H    GLN  34           H        GLN  34   3.020  -9.137   1.668
  285    HA   GLN  34           HA       GLN  34   2.187 -10.858   3.891
  286   1HB   GLN  34          2HB       GLN  34   1.272  -8.133   2.938
  287   2HB   GLN  34          1HB       GLN  34   0.585  -8.950   4.344
  288   1HG   GLN  34          2HG       GLN  34   2.755  -9.009   5.437
  289   2HG   GLN  34          1HG       GLN  34   3.537  -8.346   4.002
  290   1HE2  GLN  34          1HE2      GLN  34   2.868  -6.072   3.367
  291   2HE2  GLN  34          2HE2      GLN  34   2.351  -5.009   4.585
  292    H    ILE  35           H        ILE  35   0.506  -9.435   1.045
  293    HA   ILE  35           HA       ILE  35  -1.891 -11.013   1.508
  294    HB   ILE  35           HB       ILE  35  -2.533 -10.236  -0.811
  295   1HG1  ILE  35          2HG1      ILE  35   0.068  -8.686  -0.610
  296   2HG1  ILE  35          1HG1      ILE  35  -0.193 -10.060  -1.681
  297   1HG2  ILE  35          1HG2      ILE  35  -3.251  -8.251   0.046
  298   2HG2  ILE  35          2HG2      ILE  35  -1.643  -7.787   0.604
  299   3HG2  ILE  35          3HG2      ILE  35  -2.611  -8.921   1.546
  300   1HD1  ILE  35          1HD1      ILE  35  -2.345  -8.540  -2.330
  301   2HD1  ILE  35          2HD1      ILE  35  -0.794  -8.427  -3.163
  302   3HD1  ILE  35          3HD1      ILE  35  -1.196  -7.276  -1.889
  303    H    GLY  36           H        GLY  36   1.082 -11.571  -0.270
  304   1HA   GLY  36          2HA       GLY  36   1.829 -13.492  -1.406
  305   2HA   GLY  36          1HA       GLY  36   0.479 -14.360  -0.667
  306    H    THR  37           H        THR  37   0.572 -11.571  -2.883
  307    HA   THR  37           HA       THR  37  -1.252 -13.075  -4.717
  308    HB   THR  37           HB       THR  37  -1.046 -10.066  -4.495
  309    HG1  THR  37           HG1      THR  37  -3.029 -10.405  -3.198
  310   1HG2  THR  37          1HG2      THR  37  -3.633 -11.184  -5.119
  311   2HG2  THR  37          2HG2      THR  37  -2.412 -11.813  -6.225
  312   3HG2  THR  37          3HG2      THR  37  -2.643 -10.072  -6.065
  313    H    GLN  38           H        GLN  38   1.910 -12.244  -4.526
  314    HA   GLN  38           HA       GLN  38   3.603 -12.080  -6.130
  315   1HB   GLN  38          2HB       GLN  38   1.387 -13.275  -7.531
  316   2HB   GLN  38          1HB       GLN  38   2.210 -12.146  -8.606
  317   1HG   GLN  38          2HG       GLN  38   4.313 -13.435  -7.349
  318   2HG   GLN  38          1HG       GLN  38   3.127 -14.725  -7.551
  319   1HE2  GLN  38          1HE2      GLN  38   2.212 -14.961  -9.851
  320   2HE2  GLN  38          2HE2      GLN  38   3.237 -14.589 -11.150
  321    HA   PRO  39           HA       PRO  39   3.480  -7.808  -7.171
  322   1HB   PRO  39          2HB       PRO  39   5.718  -7.709  -8.772
  323   2HB   PRO  39          1HB       PRO  39   5.771  -7.813  -7.004
  324   1HG   PRO  39          2HG       PRO  39   6.303  -9.943  -9.029
  325   2HG   PRO  39          1HG       PRO  39   6.950  -9.766  -7.390
  326   1HD   PRO  39          2HD       PRO  39   4.882 -11.523  -8.151
  327   2HD   PRO  39          1HD       PRO  39   5.271 -11.044  -6.484
  328    H    ASN  40           H        ASN  40   2.966 -10.263  -9.496
  329    HA   ASN  40           HA       ASN  40   2.513  -8.310 -11.697
  330   1HB   ASN  40          2HB       ASN  40   2.725 -11.329 -11.633
  331   2HB   ASN  40          1HB       ASN  40   2.205 -10.439 -13.064
  332   1HD2  ASN  40          1HD2      ASN  40   3.811  -9.075 -14.160
  333   2HD2  ASN  40          2HD2      ASN  40   5.468  -9.228 -13.824
  334    H    LYS  41           H        LYS  41   0.753  -9.714  -9.191
  335    HA   LYS  41           HA       LYS  41  -1.776  -9.550 -10.788
  336   1HB   LYS  41          2HB       LYS  41  -0.733 -11.682  -9.119
  337   2HB   LYS  41          1HB       LYS  41  -2.287 -11.117  -8.509
  338   1HG   LYS  41          2HG       LYS  41  -3.283 -12.329 -10.121
  339   2HG   LYS  41          1HG       LYS  41  -2.586 -11.220 -11.303
  340   1HD   LYS  41          2HD       LYS  41  -0.478 -12.936 -10.600
  341   2HD   LYS  41          1HD       LYS  41  -1.883 -13.988 -10.756
  342   1HE   LYS  41          2HE       LYS  41  -2.196 -13.469 -13.002
  343   2HE   LYS  41          1HE       LYS  41  -1.398 -11.904 -12.857
  344   1HZ   LYS  41          1HZ       LYS  41   0.464 -13.880 -12.200
  345   2HZ   LYS  41          2HZ       LYS  41   0.466 -12.845 -13.547
  346   3HZ   LYS  41          3HZ       LYS  41  -0.292 -14.364 -13.637
  347    H    ILE  42           H        ILE  42  -0.203  -7.580  -8.950
  348    HA   ILE  42           HA       ILE  42  -2.458  -7.007  -7.068
  349    HB   ILE  42           HB       ILE  42   0.479  -6.263  -6.876
  350   1HG1  ILE  42          2HG1      ILE  42  -1.187  -7.901  -4.956
  351   2HG1  ILE  42          1HG1      ILE  42  -0.324  -8.644  -6.301
  352   1HG2  ILE  42          1HG2      ILE  42  -0.089  -4.640  -5.421
  353   2HG2  ILE  42          2HG2      ILE  42  -1.059  -5.776  -4.485
  354   3HG2  ILE  42          3HG2      ILE  42  -1.782  -4.901  -5.834
  355   1HD1  ILE  42          1HD1      ILE  42   0.980  -8.634  -4.150
  356   2HD1  ILE  42          2HD1      ILE  42   0.991  -6.872  -4.224
  357   3HD1  ILE  42          3HD1      ILE  42   1.800  -7.811  -5.478
  358    H    VAL  43           H        VAL  43  -3.546  -5.130  -7.350
  359    HA   VAL  43           HA       VAL  43  -2.366  -3.048  -9.149
  360    HB   VAL  43           HB       VAL  43  -5.284  -3.875  -8.926
  361   1HG1  VAL  43          1HG1      VAL  43  -3.852  -1.629 -10.321
  362   2HG1  VAL  43          2HG1      VAL  43  -5.372  -1.594  -9.427
  363   3HG1  VAL  43          3HG1      VAL  43  -5.315  -2.308 -11.039
  364   1HG2  VAL  43          1HG2      VAL  43  -3.113  -4.882 -10.519
  365   2HG2  VAL  43          2HG2      VAL  43  -4.251  -4.050 -11.579
  366   3HG2  VAL  43          3HG2      VAL  43  -4.809  -5.367 -10.547
  367    H    LEU  44           H        LEU  44  -1.852  -1.367  -7.818
  368    HA   LEU  44           HA       LEU  44  -3.532  -0.867  -5.416
  369   1HB   LEU  44          2HB       LEU  44  -0.724  -0.279  -6.198
  370   2HB   LEU  44          1HB       LEU  44  -1.518   0.901  -5.155
  371    HG   LEU  44           HG       LEU  44  -2.060  -1.834  -4.301
  372   1HD1  LEU  44          1HD1      LEU  44   0.347  -2.055  -3.373
  373   2HD1  LEU  44          2HD1      LEU  44   0.793  -0.916  -4.644
  374   3HD1  LEU  44          3HD1      LEU  44   0.081  -2.473  -5.065
  375   1HD2  LEU  44          1HD2      LEU  44  -1.479  -0.912  -2.144
  376   2HD2  LEU  44          2HD2      LEU  44  -2.383   0.324  -3.021
  377   3HD2  LEU  44          3HD2      LEU  44  -0.628   0.439  -2.894
  378    H    GLN  45           H        GLN  45  -4.648   1.053  -5.107
  379    HA   GLN  45           HA       GLN  45  -4.535   3.061  -7.321
  380   1HB   GLN  45          2HB       GLN  45  -7.113   2.542  -5.875
  381   2HB   GLN  45          1HB       GLN  45  -6.856   3.179  -7.495
  382   1HG   GLN  45          2HG       GLN  45  -5.755   0.534  -7.391
  383   2HG   GLN  45          1HG       GLN  45  -7.390   0.481  -6.736
  384   1HE2  GLN  45          1HE2      GLN  45  -9.082   1.712  -8.169
  385   2HE2  GLN  45          2HE2      GLN  45  -8.891   1.568  -9.849
  386    H    LYS  46           H        LYS  46  -4.940   5.248  -6.664
  387    HA   LYS  46           HA       LYS  46  -5.032   5.702  -3.714
  388   1HB   LYS  46          2HB       LYS  46  -2.800   6.153  -5.417
  389   2HB   LYS  46          1HB       LYS  46  -3.446   7.735  -4.984
  390   1HG   LYS  46          2HG       LYS  46  -3.566   6.401  -2.581
  391   2HG   LYS  46          1HG       LYS  46  -2.096   5.736  -3.294
  392   1HD   LYS  46          2HD       LYS  46  -0.973   7.649  -2.897
  393   2HD   LYS  46          1HD       LYS  46  -2.205   8.591  -3.736
  394   1HE   LYS  46          2HE       LYS  46  -3.610   8.309  -1.576
  395   2HE   LYS  46          1HE       LYS  46  -2.091   7.838  -0.816
  396   1HZ   LYS  46          1HZ       LYS  46  -2.194  10.118  -0.495
  397   2HZ   LYS  46          2HZ       LYS  46  -2.816  10.421  -2.051
  398   3HZ   LYS  46          3HZ       LYS  46  -1.191   9.975  -1.855
  399    H    GLY  47           H        GLY  47  -7.047   6.602  -3.546
  400   1HA   GLY  47          2HA       GLY  47  -8.757   8.187  -3.768
  401   2HA   GLY  47          1HA       GLY  47  -7.530   9.277  -4.415
  402    H    GLY  48           H        GLY  48  -8.839   6.178  -5.650
  403   1HA   GLY  48          2HA       GLY  48  -9.882   5.668  -7.689
  404   2HA   GLY  48          1HA       GLY  48 -10.361   7.363  -7.783
  405    H    SER  49           H        SER  49  -7.103   5.897  -7.706
  406    HA   SER  49           HA       SER  49  -6.634   6.797 -10.499
  407   1HB   SER  49          2HB       SER  49  -5.783   8.329  -8.320
  408   2HB   SER  49          1HB       SER  49  -4.351   7.413  -8.782
  409    HG   SER  49           HG       SER  49  -4.351   9.184 -10.073
  410    H    VAL  50           H        VAL  50  -5.301   5.371 -11.590
  411    HA   VAL  50           HA       VAL  50  -4.552   2.906 -10.207
  412    HB   VAL  50           HB       VAL  50  -3.721   2.181 -12.447
  413   1HG1  VAL  50          1HG1      VAL  50  -6.118   1.946 -11.759
  414   2HG1  VAL  50          2HG1      VAL  50  -5.902   2.089 -13.503
  415   3HG1  VAL  50          3HG1      VAL  50  -6.459   3.477 -12.567
  416   1HG2  VAL  50          1HG2      VAL  50  -4.594   4.972 -13.271
  417   2HG2  VAL  50          2HG2      VAL  50  -4.170   3.678 -14.390
  418   3HG2  VAL  50          3HG2      VAL  50  -2.948   4.342 -13.307
  419    H    LEU  51           H        LEU  51  -2.631   2.502  -9.263
  420    HA   LEU  51           HA       LEU  51  -0.392   4.410  -9.680
  421   1HB   LEU  51          2HB       LEU  51  -0.500   2.112  -7.704
  422   2HB   LEU  51          1HB       LEU  51   0.567   3.514  -7.668
  423    HG   LEU  51           HG       LEU  51  -2.451   3.617  -7.367
  424   1HD1  LEU  51          1HD1      LEU  51  -1.041   2.612  -5.456
  425   2HD1  LEU  51          2HD1      LEU  51  -2.111   3.953  -5.048
  426   3HD1  LEU  51          3HD1      LEU  51  -0.383   4.235  -5.256
  427   1HD2  LEU  51          1HD2      LEU  51  -2.268   5.847  -7.656
  428   2HD2  LEU  51          2HD2      LEU  51  -0.592   5.602  -8.143
  429   3HD2  LEU  51          3HD2      LEU  51  -0.979   5.937  -6.456
  430    H    LYS  52           H        LYS  52   1.353   3.857 -10.905
  431    HA   LYS  52           HA       LYS  52   1.584   1.002 -11.766
  432   1HB   LYS  52          2HB       LYS  52   1.809   3.587 -13.200
  433   2HB   LYS  52          1HB       LYS  52   2.975   2.343 -13.662
  434   1HG   LYS  52          2HG       LYS  52   0.676   0.877 -13.516
  435   2HG   LYS  52          1HG       LYS  52   0.050   2.431 -14.070
  436   1HD   LYS  52          2HD       LYS  52   1.510   2.435 -15.974
  437   2HD   LYS  52          1HD       LYS  52   2.414   1.050 -15.357
  438   1HE   LYS  52          2HE       LYS  52  -0.506   0.649 -15.667
  439   2HE   LYS  52          1HE       LYS  52   0.406   0.819 -17.164
  440   1HZ   LYS  52          1HZ       LYS  52   0.173  -1.492 -16.156
  441   2HZ   LYS  52          2HZ       LYS  52   1.326  -0.986 -15.015
  442   3HZ   LYS  52          3HZ       LYS  52   1.715  -1.012 -16.671
  443    H    ASP  53           H        ASP  53   3.654   0.064 -11.862
  444    HA   ASP  53           HA       ASP  53   5.521   0.845  -9.861
  445   1HB   ASP  53          2HB       ASP  53   7.004  -0.872 -10.823
  446   2HB   ASP  53          1HB       ASP  53   5.352  -1.471 -10.698
  447    H    HIS  54           H        HIS  54   5.307   1.698 -13.268
  448    HA   HIS  54           HA       HIS  54   7.975   2.687 -13.610
  449   1HB   HIS  54          2HB       HIS  54   5.352   3.282 -14.978
  450   2HB   HIS  54          1HB       HIS  54   6.849   4.084 -15.453
  451    HD1  HIS  54           HD1      HIS  54   5.133   0.752 -15.482
  452    HD2  HIS  54           HD2      HIS  54   8.779   2.372 -16.685
  453    HE1  HIS  54           HE1      HIS  54   6.255  -1.003 -16.922
  454    H    ILE  55           H        ILE  55   5.312   3.986 -11.806
  455    HA   ILE  55           HA       ILE  55   6.618   6.675 -11.769
  456    HB   ILE  55           HB       ILE  55   3.808   5.855 -10.961
  457   1HG1  ILE  55          2HG1      ILE  55   3.493   7.659 -12.933
  458   2HG1  ILE  55          1HG1      ILE  55   5.053   7.000 -13.420
  459   1HG2  ILE  55          1HG2      ILE  55   3.506   8.389 -10.875
  460   2HG2  ILE  55          2HG2      ILE  55   5.265   8.509 -10.901
  461   3HG2  ILE  55          3HG2      ILE  55   4.455   7.691  -9.564
  462   1HD1  ILE  55          1HD1      ILE  55   2.598   5.884 -14.023
  463   2HD1  ILE  55          2HD1      ILE  55   3.125   4.931 -12.635
  464   3HD1  ILE  55          3HD1      ILE  55   4.142   5.033 -14.073
  465    H    SER  56           H        SER  56   7.192   7.596  -9.763
  466    HA   SER  56           HA       SER  56   7.697   5.656  -7.625
  467   1HB   SER  56          2HB       SER  56   9.169   7.715  -8.491
  468   2HB   SER  56          1HB       SER  56   8.263   8.556  -7.238
  469    HG   SER  56           HG       SER  56  10.066   7.681  -6.286
  470    H    LEU  57           H        LEU  57   7.052   6.029  -5.387
  471    HA   LEU  57           HA       LEU  57   4.272   6.634  -5.073
  472   1HB   LEU  57          2HB       LEU  57   6.521   6.366  -3.057
  473   2HB   LEU  57          1HB       LEU  57   4.834   6.592  -2.593
  474    HG   LEU  57           HG       LEU  57   5.604   4.394  -4.504
  475   1HD1  LEU  57          1HD1      LEU  57   5.478   2.992  -2.264
  476   2HD1  LEU  57          2HD1      LEU  57   5.990   4.513  -1.533
  477   3HD1  LEU  57          3HD1      LEU  57   6.996   3.742  -2.760
  478   1HD2  LEU  57          1HD2      LEU  57   3.295   5.090  -2.709
  479   2HD2  LEU  57          2HD2      LEU  57   3.585   3.401  -3.125
  480   3HD2  LEU  57          3HD2      LEU  57   3.277   4.582  -4.397
  481    H    GLU  58           H        GLU  58   7.196   8.576  -4.630
  482    HA   GLU  58           HA       GLU  58   6.024  10.793  -3.265
  483   1HB   GLU  58          2HB       GLU  58   7.962  12.092  -4.243
  484   2HB   GLU  58          1HB       GLU  58   8.426  10.629  -3.378
  485   1HG   GLU  58          2HG       GLU  58   9.234   9.637  -5.256
  486   2HG   GLU  58          1HG       GLU  58   7.876  10.183  -6.237
  487    H    ASP  59           H        ASP  59   6.045   9.889  -6.678
  488    HA   ASP  59           HA       ASP  59   5.139  12.444  -7.694
  489   1HB   ASP  59          2HB       ASP  59   4.954   9.639  -8.840
  490   2HB   ASP  59          1HB       ASP  59   4.505  11.097  -9.724
  491    H    TYR  60           H        TYR  60   3.496   9.439  -6.700
  492    HA   TYR  60           HA       TYR  60   0.833  10.408  -7.328
  493   1HB   TYR  60          2HB       TYR  60   1.875   8.106  -5.666
  494   2HB   TYR  60          1HB       TYR  60   0.151   8.452  -5.813
  495    HD1  TYR  60           HD1      TYR  60  -0.590   8.969  -8.375
  496    HD2  TYR  60           HD2      TYR  60   2.750   6.554  -7.165
  497    HE1  TYR  60           HE1      TYR  60  -0.640   7.804 -10.563
  498    HE2  TYR  60           HE2      TYR  60   2.701   5.390  -9.354
  499    HH   TYR  60           HH       TYR  60   1.234   6.507 -12.000
  500    H    GLU  61           H        GLU  61   3.023  10.979  -4.729
  501    HA   GLU  61           HA       GLU  61   2.835  12.408  -2.895
  502   1HB   GLU  61          2HB       GLU  61   0.634  13.158  -4.523
  503   2HB   GLU  61          1HB       GLU  61   0.022  13.019  -2.875
  504   1HG   GLU  61          2HG       GLU  61   1.161  14.849  -2.187
  505   2HG   GLU  61          1HG       GLU  61   2.637  14.336  -3.003
  506    H    VAL  62           H        VAL  62   2.907   9.850  -2.282
  507    HA   VAL  62           HA       VAL  62   0.553   9.025  -0.716
  508    HB   VAL  62           HB       VAL  62   3.312   7.769  -0.922
  509   1HG1  VAL  62          1HG1      VAL  62   0.855   6.226  -0.227
  510   2HG1  VAL  62          2HG1      VAL  62   1.528   7.271   1.023
  511   3HG1  VAL  62          3HG1      VAL  62   2.518   5.996   0.314
  512   1HG2  VAL  62          1HG2      VAL  62   2.677   7.006  -2.945
  513   2HG2  VAL  62          2HG2      VAL  62   1.188   7.943  -2.824
  514   3HG2  VAL  62          3HG2      VAL  62   1.235   6.283  -2.230
  515    H    HIS  63           H        HIS  63   0.241   9.817   1.301
  516    HA   HIS  63           HA       HIS  63   2.574  10.923   2.786
  517   1HB   HIS  63          2HB       HIS  63  -0.414  11.294   3.082
  518   2HB   HIS  63          1HB       HIS  63   0.744  11.901   4.265
  519    HD1  HIS  63           HD1      HIS  63  -0.831  12.750   1.086
  520    HD2  HIS  63           HD2      HIS  63   2.709  13.770   3.025
  521    HE1  HIS  63           HE1      HIS  63   0.041  14.830  -0.065
  522    H    ASP  64           H        ASP  64   2.362  10.646   5.263
  523    HA   ASP  64           HA       ASP  64   2.441   7.819   5.864
  524   1HB   ASP  64          2HB       ASP  64   3.773   9.708   6.997
  525   2HB   ASP  64          1HB       ASP  64   2.301  10.042   7.910
  526    H    GLN  65           H        GLN  65   0.913   6.546   6.854
  527    HA   GLN  65           HA       GLN  65  -1.178   5.840   7.613
  528   1HB   GLN  65          2HB       GLN  65  -0.596   8.285   8.995
  529   2HB   GLN  65          1HB       GLN  65  -2.318   8.258   8.613
  530   1HG   GLN  65          2HG       GLN  65  -2.307   7.081  10.616
  531   2HG   GLN  65          1HG       GLN  65  -2.145   5.758   9.462
  532   1HE2  GLN  65          1HE2      GLN  65   0.001   4.756   9.223
  533   2HE2  GLN  65          2HE2      GLN  65   1.209   4.996  10.391
  534    H    THR  66           H        THR  66  -0.917   6.803   4.875
  535    HA   THR  66           HA       THR  66  -3.444   8.237   4.333
  536    HB   THR  66           HB       THR  66  -1.297   8.710   3.064
  537    HG1  THR  66           HG1      THR  66  -2.695   9.442   1.715
  538   1HG2  THR  66          1HG2      THR  66  -0.230   6.777   2.468
  539   2HG2  THR  66          2HG2      THR  66  -1.235   6.938   1.029
  540   3HG2  THR  66          3HG2      THR  66  -1.730   5.862   2.334
  541    H    ASN  67           H        ASN  67  -4.884   7.260   2.551
  542    HA   ASN  67           HA       ASN  67  -5.354   4.403   3.232
  543   1HB   ASN  67          2HB       ASN  67  -7.184   6.190   3.415
  544   2HB   ASN  67          1HB       ASN  67  -7.195   6.206   1.651
  545   1HD2  ASN  67          1HD2      ASN  67  -7.966   4.238   4.499
  546   2HD2  ASN  67          2HD2      ASN  67  -8.812   3.033   3.653
  547    H    LEU  68           H        LEU  68  -4.752   2.870   1.826
  548    HA   LEU  68           HA       LEU  68  -4.336   3.617  -1.042
  549   1HB   LEU  68          2HB       LEU  68  -2.747   2.071   0.872
  550   2HB   LEU  68          1HB       LEU  68  -3.056   1.175  -0.613
  551    HG   LEU  68           HG       LEU  68  -0.985   2.498  -0.804
  552   1HD1  LEU  68          1HD1      LEU  68  -2.931   3.978  -2.531
  553   2HD1  LEU  68          2HD1      LEU  68  -2.825   2.227  -2.703
  554   3HD1  LEU  68          3HD1      LEU  68  -1.396   3.226  -2.963
  555   1HD2  LEU  68          1HD2      LEU  68  -2.048   4.320   0.789
  556   2HD2  LEU  68          2HD2      LEU  68  -2.600   5.031  -0.728
  557   3HD2  LEU  68          3HD2      LEU  68  -0.875   4.800  -0.438
  558    H    GLU  69           H        GLU  69  -5.193   2.220  -2.635
  559    HA   GLU  69           HA       GLU  69  -7.322   0.377  -1.647
  560   1HB   GLU  69          2HB       GLU  69  -6.898   1.777  -4.299
  561   2HB   GLU  69          1HB       GLU  69  -8.135   0.545  -4.051
  562   1HG   GLU  69          2HG       GLU  69  -9.433   2.323  -3.453
  563   2HG   GLU  69          1HG       GLU  69  -8.605   2.159  -1.905
  564    H    LEU  70           H        LEU  70  -7.471  -1.760  -2.517
  565    HA   LEU  70           HA       LEU  70  -5.034  -2.709  -3.966
  566   1HB   LEU  70          2HB       LEU  70  -5.121  -3.375  -1.516
  567   2HB   LEU  70          1HB       LEU  70  -6.555  -4.318  -1.902
  568    HG   LEU  70           HG       LEU  70  -5.280  -5.630  -3.543
  569   1HD1  LEU  70          1HD1      LEU  70  -3.164  -3.617  -2.860
  570   2HD1  LEU  70          2HD1      LEU  70  -3.610  -4.281  -4.432
  571   3HD1  LEU  70          3HD1      LEU  70  -2.671  -5.252  -3.299
  572   1HD2  LEU  70          1HD2      LEU  70  -3.709  -6.739  -1.933
  573   2HD2  LEU  70          2HD2      LEU  70  -5.314  -6.460  -1.256
  574   3HD2  LEU  70          3HD2      LEU  70  -3.975  -5.401  -0.815
  575    H    TYR  71           H        TYR  71  -5.399  -4.076  -5.662
  576    HA   TYR  71           HA       TYR  71  -8.141  -5.150  -6.102
  577   1HB   TYR  71          2HB       TYR  71  -6.646  -3.187  -7.785
  578   2HB   TYR  71          1HB       TYR  71  -7.555  -4.446  -8.621
  579    HD1  TYR  71           HD1      TYR  71 -10.000  -4.598  -8.403
  580    HD2  TYR  71           HD2      TYR  71  -7.769  -1.478  -6.467
  581    HE1  TYR  71           HE1      TYR  71 -12.100  -3.336  -8.015
  582    HE2  TYR  71           HE2      TYR  71  -9.869  -0.217  -6.079
  583    HH   TYR  71           HH       TYR  71 -12.344  -0.779  -5.873
  584    H    TYR  72           H        TYR  72  -8.138  -7.114  -7.272
  585    HA   TYR  72           HA       TYR  72  -5.433  -8.312  -7.669
  586   1HB   TYR  72          2HB       TYR  72  -8.152  -9.610  -7.332
  587   2HB   TYR  72          1HB       TYR  72  -6.654 -10.492  -7.625
  588    HD1  TYR  72           HD1      TYR  72  -4.731  -8.905  -5.986
  589    HD2  TYR  72           HD2      TYR  72  -8.732 -10.209  -5.115
  590    HE1  TYR  72           HE1      TYR  72  -4.224  -8.841  -3.561
  591    HE2  TYR  72           HE2      TYR  72  -8.223 -10.145  -2.688
  592    HH   TYR  72           HH       TYR  72  -5.930  -8.536  -1.331
  593    H    LEU  73           HN       LEU  73  -4.743  -8.718  -9.699
  594    HA   LEU  73           HA       LEU  73  -6.558  -8.173 -11.958
  595   1HB   LEU  73          2HB       LEU  73  -3.956  -7.574 -11.612
  596   2HB   LEU  73          1HB       LEU  73  -3.772  -9.131 -12.422
  597    HG   LEU  73           HG       LEU  73  -5.796  -7.775 -13.842
  598   1HD1  LEU  73          1HD1      LEU  73  -4.489  -5.704 -14.519
  599   2HD1  LEU  73          2HD1      LEU  73  -3.467  -5.983 -13.107
  600   3HD1  LEU  73          3HD1      LEU  73  -5.188  -5.654 -12.900
  601   1HD2  LEU  73          1HD2      LEU  73  -3.794  -9.327 -14.516
  602   2HD2  LEU  73          2HD2      LEU  73  -2.910  -7.812 -14.706
  603   3HD2  LEU  73          3HD2      LEU  73  -4.360  -8.115 -15.665
  Start of MODEL    5
    1    H    MET   1           1H       MET   1  10.536   6.613   7.117
    2    HA   MET   1           HA       MET   1   9.412   5.329   4.691
    3   1HB   MET   1          2HB       MET   1  10.917   4.325   6.832
    4   2HB   MET   1          1HB       MET   1   9.250   3.889   7.213
    5   1HG   MET   1          2HG       MET   1   8.976   2.857   5.024
    6   2HG   MET   1          1HG       MET   1  10.588   3.383   4.543
    7   1HE   MET   1          1HE       MET   1  10.097   0.432   4.072
    8   2HE   MET   1          2HE       MET   1  11.635  -0.141   4.714
    9   3HE   MET   1          3HE       MET   1  11.561   1.408   3.878
   10    H    ILE   2           H        ILE   2   7.190   5.054   4.634
   11    HA   ILE   2           HA       ILE   2   5.631   6.217   6.910
   12    HB   ILE   2           HB       ILE   2   3.950   6.960   5.257
   13   1HG1  ILE   2          2HG1      ILE   2   5.914   6.374   3.053
   14   2HG1  ILE   2          1HG1      ILE   2   4.786   5.121   3.573
   15   1HG2  ILE   2          1HG2      ILE   2   6.636   7.980   4.339
   16   2HG2  ILE   2          2HG2      ILE   2   6.023   8.344   5.953
   17   3HG2  ILE   2          3HG2      ILE   2   5.127   8.871   4.529
   18   1HD1  ILE   2          1HD1      ILE   2   3.131   7.303   3.370
   19   2HD1  ILE   2          2HD1      ILE   2   3.352   6.096   2.103
   20   3HD1  ILE   2          3HD1      ILE   2   4.274   7.599   2.059
   21    H    GLU   3           H        GLU   3   3.397   5.321   7.081
   22    HA   GLU   3           HA       GLU   3   3.320   2.453   6.218
   23   1HB   GLU   3          2HB       GLU   3   3.389   3.316   8.782
   24   2HB   GLU   3          1HB       GLU   3   1.648   3.362   8.508
   25   1HG   GLU   3          2HG       GLU   3   3.197   0.935   7.657
   26   2HG   GLU   3          1HG       GLU   3   2.786   1.140   9.359
   27    H    VAL   4           H        VAL   4   1.723   2.011   4.782
   28    HA   VAL   4           HA       VAL   4  -0.657   3.832   4.719
   29    HB   VAL   4           HB       VAL   4  -0.793   3.341   2.280
   30   1HG1  VAL   4          1HG1      VAL   4   0.479   5.167   1.917
   31   2HG1  VAL   4          2HG1      VAL   4   1.955   4.307   2.356
   32   3HG1  VAL   4          3HG1      VAL   4   0.968   5.064   3.608
   33   1HG2  VAL   4          1HG2      VAL   4   1.930   2.060   2.669
   34   2HG2  VAL   4          2HG2      VAL   4   1.042   2.220   1.155
   35   3HG2  VAL   4          3HG2      VAL   4   0.438   1.153   2.421
   36    H    VAL   5           H        VAL   5  -2.694   2.851   4.379
   37    HA   VAL   5           HA       VAL   5  -2.733  -0.092   4.895
   38    HB   VAL   5           HB       VAL   5  -5.077   0.290   5.651
   39   1HG1  VAL   5          1HG1      VAL   5  -2.991   2.067   6.955
   40   2HG1  VAL   5          2HG1      VAL   5  -3.248   0.356   7.289
   41   3HG1  VAL   5          3HG1      VAL   5  -4.489   1.534   7.718
   42   1HG2  VAL   5          1HG2      VAL   5  -5.364   2.371   4.188
   43   2HG2  VAL   5          2HG2      VAL   5  -4.455   3.244   5.421
   44   3HG2  VAL   5          3HG2      VAL   5  -5.997   2.492   5.829
   45    H    VAL   6           H        VAL   6  -3.767  -1.465   3.446
   46    HA   VAL   6           HA       VAL   6  -4.920  -0.161   1.011
   47    HB   VAL   6           HB       VAL   6  -4.245  -2.220  -0.229
   48   1HG1  VAL   6          1HG1      VAL   6  -1.955  -1.589  -0.462
   49   2HG1  VAL   6          2HG1      VAL   6  -1.874  -1.003   1.201
   50   3HG1  VAL   6          3HG1      VAL   6  -2.812  -0.118  -0.002
   51   1HG2  VAL   6          1HG2      VAL   6  -2.236  -3.274   1.422
   52   2HG2  VAL   6          2HG2      VAL   6  -3.760  -4.055   1.000
   53   3HG2  VAL   6          3HG2      VAL   6  -3.635  -3.106   2.480
   54    H    ASN   7           H        ASN   7  -7.037  -0.523   0.691
   55    HA   ASN   7           HA       ASN   7  -8.360  -2.712   2.231
   56   1HB   ASN   7          2HB       ASN   7  -9.868  -0.550   0.782
   57   2HB   ASN   7          1HB       ASN   7 -10.317  -1.438   2.238
   58   1HD2  ASN   7          1HD2      ASN   7  -8.367  -1.042   4.058
   59   2HD2  ASN   7          2HD2      ASN   7  -8.030   0.601   4.299
   60    H    ASP   8           H        ASP   8  -8.764  -4.520   1.061
   61    HA   ASP   8           HA       ASP   8  -8.720  -4.459  -1.861
   62   1HB   ASP   8          2HB       ASP   8  -7.826  -6.339  -0.353
   63   2HB   ASP   8          1HB       ASP   8  -9.511  -6.824  -0.162
   64    H    ARG   9           H        ARG   9 -10.451  -4.981  -3.241
   65    HA   ARG   9           HA       ARG   9 -13.020  -3.945  -2.544
   66   1HB   ARG   9          2HB       ARG   9 -11.929  -4.311  -4.883
   67   2HB   ARG   9          1HB       ARG   9 -12.621  -5.929  -4.772
   68   1HG   ARG   9          2HG       ARG   9 -14.719  -4.287  -3.984
   69   2HG   ARG   9          1HG       ARG   9 -13.953  -3.372  -5.282
   70   1HD   ARG   9          2HD       ARG   9 -14.697  -6.299  -5.517
   71   2HD   ARG   9          1HD       ARG   9 -15.736  -4.982  -6.061
   72    HE   ARG   9           HE       ARG   9 -13.778  -4.336  -7.582
   73   1HH1  ARG   9          1HH2      ARG   9 -15.177  -6.606  -8.787
   74   2HH1  ARG   9          2HH2      ARG   9 -13.928  -7.786  -9.003
   75   1HH2  ARG   9          2HH1      ARG   9 -11.733  -6.248  -6.783
   76   2HH2  ARG   9          1HH1      ARG   9 -11.966  -7.582  -7.863
   77    H    LEU  10           H        LEU  10 -11.839  -7.314  -2.780
   78    HA   LEU  10           HA       LEU  10 -14.346  -8.582  -2.237
   79   1HB   LEU  10          2HB       LEU  10 -11.517  -9.361  -2.341
   80   2HB   LEU  10          1HB       LEU  10 -12.439 -10.274  -1.148
   81    HG   LEU  10           HG       LEU  10 -14.077 -10.075  -3.456
   82   1HD1  LEU  10          1HD1      LEU  10 -11.777  -9.562  -4.528
   83   2HD1  LEU  10          2HD1      LEU  10 -12.742 -10.849  -5.248
   84   3HD1  LEU  10          3HD1      LEU  10 -11.393 -11.248  -4.184
   85   1HD2  LEU  10          1HD2      LEU  10 -14.126 -11.940  -1.901
   86   2HD2  LEU  10          2HD2      LEU  10 -12.445 -12.333  -2.256
   87   3HD2  LEU  10          3HD2      LEU  10 -13.683 -12.565  -3.489
   88    H    GLY  11           H        GLY  11 -11.709  -7.533  -0.069
   89   1HA   GLY  11          2HA       GLY  11 -12.816  -6.499   2.077
   90   2HA   GLY  11          1HA       GLY  11 -13.433  -8.139   2.286
   91    H    LYS  12           H        LYS  12 -10.349  -6.417   1.730
   92    HA   LYS  12           HA       LYS  12  -9.089  -8.148   3.783
   93   1HB   LYS  12          2HB       LYS  12  -8.818  -8.820   1.163
   94   2HB   LYS  12          1HB       LYS  12  -7.460  -7.712   1.350
   95   1HG   LYS  12          2HG       LYS  12  -6.647  -9.000   3.276
   96   2HG   LYS  12          1HG       LYS  12  -8.027 -10.097   3.130
   97   1HD   LYS  12          2HD       LYS  12  -7.266 -10.547   0.748
   98   2HD   LYS  12          1HD       LYS  12  -5.781  -9.682   1.146
   99   1HE   LYS  12          2HE       LYS  12  -5.520 -11.281   3.108
  100   2HE   LYS  12          1HE       LYS  12  -6.838 -12.224   2.407
  101   1HZ   LYS  12          1HZ       LYS  12  -4.983 -11.610   0.389
  102   2HZ   LYS  12          2HZ       LYS  12  -5.412 -13.134   1.001
  103   3HZ   LYS  12          3HZ       LYS  12  -4.135 -12.262   1.704
  104    H    LYS  13           H        LYS  13  -8.197  -6.741   5.179
  105    HA   LYS  13           HA       LYS  13  -7.119  -4.158   4.136
  106   1HB   LYS  13          2HB       LYS  13  -8.359  -5.013   6.721
  107   2HB   LYS  13          1HB       LYS  13  -7.143  -3.735   6.771
  108   1HG   LYS  13          2HG       LYS  13  -8.928  -2.382   6.321
  109   2HG   LYS  13          1HG       LYS  13  -8.638  -2.902   4.661
  110   1HD   LYS  13          2HD       LYS  13 -10.165  -4.962   5.511
  111   2HD   LYS  13          1HD       LYS  13 -10.815  -3.674   6.527
  112   1HE   LYS  13          2HE       LYS  13 -11.669  -2.505   4.741
  113   2HE   LYS  13          1HE       LYS  13 -10.379  -3.020   3.657
  114   1HZ   LYS  13          1HZ       LYS  13 -12.536  -4.811   4.632
  115   2HZ   LYS  13          2HZ       LYS  13 -11.372  -5.158   3.444
  116   3HZ   LYS  13          3HZ       LYS  13 -12.578  -4.001   3.142
  117    H    VAL  14           H        VAL  14  -4.951  -4.252   3.821
  118    HA   VAL  14           HA       VAL  14  -3.311  -5.851   5.753
  119    HB   VAL  14           HB       VAL  14  -2.634  -5.209   2.865
  120   1HG1  VAL  14          1HG1      VAL  14  -1.102  -7.294   3.425
  121   2HG1  VAL  14          2HG1      VAL  14  -1.317  -6.737   5.085
  122   3HG1  VAL  14          3HG1      VAL  14  -0.593  -5.669   3.882
  123   1HG2  VAL  14          1HG2      VAL  14  -4.114  -7.475   4.149
  124   2HG2  VAL  14          2HG2      VAL  14  -3.020  -7.848   2.816
  125   3HG2  VAL  14          3HG2      VAL  14  -4.361  -6.730   2.569
  126    H    ARG  15           H        ARG  15  -1.339  -4.925   6.465
  127    HA   ARG  15           HA       ARG  15  -1.156  -1.963   6.079
  128   1HB   ARG  15          2HB       ARG  15   0.257  -3.467   8.275
  129   2HB   ARG  15          1HB       ARG  15  -0.247  -1.779   8.238
  130   1HG   ARG  15          2HG       ARG  15  -2.403  -3.819   8.023
  131   2HG   ARG  15          1HG       ARG  15  -1.619  -3.655   9.592
  132   1HD   ARG  15          2HD       ARG  15  -2.310  -1.449   9.854
  133   2HD   ARG  15          1HD       ARG  15  -2.494  -1.198   8.117
  134    HE   ARG  15           HE       ARG  15  -4.339  -3.148   9.322
  135   1HH1  ARG  15          2HH1      ARG  15  -4.978  -1.876   6.760
  136   2HH1  ARG  15          1HH1      ARG  15  -6.061  -0.600   7.207
  137   1HH2  ARG  15          1HH2      ARG  15  -5.136  -0.668  10.569
  138   2HH2  ARG  15          2HH2      ARG  15  -6.154   0.089   9.391
  139    H    VAL  16           H        VAL  16   0.590  -1.209   4.980
  140    HA   VAL  16           HA       VAL  16   3.067  -2.859   4.899
  141    HB   VAL  16           HB       VAL  16   1.761  -3.399   2.868
  142   1HG1  VAL  16          1HG1      VAL  16   1.236  -1.697   1.218
  143   2HG1  VAL  16          2HG1      VAL  16   2.017  -0.455   2.196
  144   3HG1  VAL  16          3HG1      VAL  16   0.533  -1.219   2.763
  145   1HG2  VAL  16          1HG2      VAL  16   3.562  -3.253   1.404
  146   2HG2  VAL  16          2HG2      VAL  16   4.369  -2.973   2.948
  147   3HG2  VAL  16          3HG2      VAL  16   3.967  -1.610   1.903
  148    H    LYS  17           H        LYS  17   4.918  -1.622   5.029
  149    HA   LYS  17           HA       LYS  17   4.549   1.346   4.928
  150   1HB   LYS  17          2HB       LYS  17   6.460   1.486   6.516
  151   2HB   LYS  17          1HB       LYS  17   5.097   0.596   7.186
  152   1HG   LYS  17          2HG       LYS  17   6.718  -1.302   5.828
  153   2HG   LYS  17          1HG       LYS  17   7.804  -0.298   6.786
  154   1HD   LYS  17          2HD       LYS  17   7.205  -1.536   8.575
  155   2HD   LYS  17          1HD       LYS  17   5.627  -0.755   8.478
  156   1HE   LYS  17          2HE       LYS  17   5.965  -2.955   6.557
  157   2HE   LYS  17          1HE       LYS  17   6.060  -3.469   8.240
  158   1HZ   LYS  17          1HZ       LYS  17   3.769  -3.298   7.071
  159   2HZ   LYS  17          2HZ       LYS  17   3.914  -1.639   7.402
  160   3HZ   LYS  17          3HZ       LYS  17   3.932  -2.766   8.673
  161    H    CYS  18           H        CYS  18   5.879   2.530   3.624
  162    HA   CYS  18           HA       CYS  18   8.353   1.361   2.516
  163   1HB   CYS  18          2HB       CYS  18   5.881   1.306   1.059
  164   2HB   CYS  18          1HB       CYS  18   6.967   2.452   0.274
  165    HG   CYS  18           HG       CYS  18   7.374  -0.583   0.411
  166    H    LEU  19           H        LEU  19   9.600   3.027   1.291
  167    HA   LEU  19           HA       LEU  19   9.318   5.657   2.558
  168   1HB   LEU  19          2HB       LEU  19  11.400   4.159   1.175
  169   2HB   LEU  19          1HB       LEU  19  11.316   5.827   0.608
  170    HG   LEU  19           HG       LEU  19  11.125   5.450   3.545
  171   1HD1  LEU  19          1HD1      LEU  19  13.361   4.405   1.934
  172   2HD1  LEU  19          2HD1      LEU  19  12.941   4.082   3.615
  173   3HD1  LEU  19          3HD1      LEU  19  13.855   5.530   3.197
  174   1HD2  LEU  19          1HD2      LEU  19  11.147   7.680   2.546
  175   2HD2  LEU  19          2HD2      LEU  19  12.644   7.311   1.688
  176   3HD2  LEU  19          3HD2      LEU  19  12.644   7.439   3.448
  177    H    ALA  20           H        ALA  20   8.932   7.622   1.435
  178    HA   ALA  20           HA       ALA  20   7.062   7.503  -0.742
  179   1HB   ALA  20          1HB       ALA  20   8.711   9.861   0.223
  180   2HB   ALA  20          2HB       ALA  20   7.145   9.379   0.876
  181   3HB   ALA  20          3HB       ALA  20   7.267   9.954  -0.786
  182    H    GLU  21           H        GLU  21  10.544   7.582  -0.649
  183    HA   GLU  21           HA       GLU  21  10.874   8.543  -3.391
  184   1HB   GLU  21          2HB       GLU  21  13.255   7.948  -3.060
  185   2HB   GLU  21          1HB       GLU  21  12.647   8.929  -1.727
  186   1HG   GLU  21          2HG       GLU  21  13.423   7.315  -0.347
  187   2HG   GLU  21          1HG       GLU  21  12.095   6.313  -0.928
  188    H    ASP  22           H        ASP  22  10.332   5.475  -1.828
  189    HA   ASP  22           HA       ASP  22  11.430   3.768  -3.852
  190   1HB   ASP  22          2HB       ASP  22   9.499   3.444  -1.597
  191   2HB   ASP  22          1HB       ASP  22   9.498   2.205  -2.852
  192    H    SER  23           H        SER  23  10.339   2.690  -5.583
  193    HA   SER  23           HA       SER  23   8.170   4.296  -6.760
  194   1HB   SER  23          2HB       SER  23  10.310   2.694  -7.772
  195   2HB   SER  23          1HB       SER  23   8.796   2.029  -8.376
  196    HG   SER  23           HG       SER  23   9.141   3.615  -9.776
  197    H    VAL  24           H        VAL  24   6.340   3.069  -7.862
  198    HA   VAL  24           HA       VAL  24   4.830   1.603  -5.937
  199    HB   VAL  24           HB       VAL  24   4.508   1.735  -8.951
  200   1HG1  VAL  24          1HG1      VAL  24   2.770   0.620  -6.753
  201   2HG1  VAL  24          2HG1      VAL  24   3.219  -0.129  -8.285
  202   3HG1  VAL  24          3HG1      VAL  24   2.066   1.204  -8.261
  203   1HG2  VAL  24          1HG2      VAL  24   4.328   3.787  -7.166
  204   2HG2  VAL  24          2HG2      VAL  24   2.678   3.168  -7.115
  205   3HG2  VAL  24          3HG2      VAL  24   3.375   3.696  -8.646
  206    H    GLY  25           H        GLY  25   7.088   0.564  -8.445
  207   1HA   GLY  25          2HA       GLY  25   6.445  -2.211  -8.544
  208   2HA   GLY  25          1HA       GLY  25   8.048  -1.540  -8.856
  209    H    ASP  26           H        ASP  26   8.657  -0.401  -6.393
  210    HA   ASP  26           HA       ASP  26   9.415  -2.715  -4.823
  211   1HB   ASP  26          2HB       ASP  26  10.644  -0.449  -5.014
  212   2HB   ASP  26          1HB       ASP  26   9.468   0.143  -3.842
  213    H    PHE  27           H        PHE  27   6.911  -0.228  -4.574
  214    HA   PHE  27           HA       PHE  27   5.950  -0.862  -1.955
  215   1HB   PHE  27          2HB       PHE  27   5.371   1.201  -3.233
  216   2HB   PHE  27          1HB       PHE  27   4.409   0.222  -4.336
  217    HD1  PHE  27           HD1      PHE  27   4.818   0.515  -0.606
  218    HD2  PHE  27           HD2      PHE  27   2.129   0.304  -3.949
  219    HE1  PHE  27           HE1      PHE  27   2.885   0.673   0.938
  220    HE2  PHE  27           HE2      PHE  27   0.197   0.460  -2.405
  221    HZ   PHE  27           HZ       PHE  27   0.573   0.644   0.038
  222    H    LYS  28           H        LYS  28   5.286  -2.253  -5.142
  223    HA   LYS  28           HA       LYS  28   3.079  -3.917  -4.207
  224   1HB   LYS  28          2HB       LYS  28   4.656  -3.709  -6.763
  225   2HB   LYS  28          1HB       LYS  28   3.546  -5.057  -6.500
  226   1HG   LYS  28          2HG       LYS  28   1.960  -3.011  -5.732
  227   2HG   LYS  28          1HG       LYS  28   2.961  -2.176  -6.919
  228   1HD   LYS  28          2HD       LYS  28   2.475  -4.217  -8.446
  229   2HD   LYS  28          1HD       LYS  28   1.159  -4.555  -7.324
  230   1HE   LYS  28          2HE       LYS  28  -0.111  -2.984  -8.312
  231   2HE   LYS  28          1HE       LYS  28   1.107  -1.762  -7.954
  232   1HZ   LYS  28          1HZ       LYS  28   1.486  -3.609 -10.219
  233   2HZ   LYS  28          2HZ       LYS  28   2.135  -2.058  -9.980
  234   3HZ   LYS  28          3HZ       LYS  28   0.498  -2.242 -10.396
  235    H    LYS  29           H        LYS  29   6.556  -4.417  -4.865
  236    HA   LYS  29           HA       LYS  29   6.512  -7.261  -4.458
  237   1HB   LYS  29          2HB       LYS  29   8.896  -7.154  -4.387
  238   2HB   LYS  29          1HB       LYS  29   8.388  -5.910  -5.526
  239   1HG   LYS  29          2HG       LYS  29   8.984  -4.183  -4.118
  240   2HG   LYS  29          1HG       LYS  29   8.701  -5.126  -2.659
  241   1HD   LYS  29          2HD       LYS  29  10.737  -6.546  -3.758
  242   2HD   LYS  29          1HD       LYS  29  11.136  -4.927  -4.330
  243   1HE   LYS  29          2HE       LYS  29  11.065  -4.061  -2.052
  244   2HE   LYS  29          1HE       LYS  29  10.549  -5.634  -1.442
  245   1HZ   LYS  29          1HZ       LYS  29  12.608  -6.593  -2.045
  246   2HZ   LYS  29          2HZ       LYS  29  12.978  -5.150  -1.226
  247   3HZ   LYS  29          3HZ       LYS  29  13.086  -5.220  -2.920
  248    H    VAL  30           H        VAL  30   6.588  -4.543  -2.235
  249    HA   VAL  30           HA       VAL  30   7.331  -6.171   0.087
  250    HB   VAL  30           HB       VAL  30   6.137  -3.380  -0.081
  251   1HG1  VAL  30          1HG1      VAL  30   5.878  -4.721   2.109
  252   2HG1  VAL  30          2HG1      VAL  30   6.645  -3.138   2.227
  253   3HG1  VAL  30          3HG1      VAL  30   7.632  -4.599   2.246
  254   1HG2  VAL  30          1HG2      VAL  30   8.894  -3.587   0.811
  255   2HG2  VAL  30          2HG2      VAL  30   8.223  -2.632  -0.511
  256   3HG2  VAL  30          3HG2      VAL  30   8.699  -4.307  -0.788
  257    H    LEU  31           H        LEU  31   4.346  -4.843  -1.332
  258    HA   LEU  31           HA       LEU  31   2.577  -5.740   0.763
  259   1HB   LEU  31          2HB       LEU  31   2.329  -4.570  -1.928
  260   2HB   LEU  31          1HB       LEU  31   1.023  -5.681  -1.517
  261    HG   LEU  31           HG       LEU  31   1.882  -3.636   0.503
  262   1HD1  LEU  31          1HD1      LEU  31   0.321  -2.010  -0.459
  263   2HD1  LEU  31          2HD1      LEU  31  -0.039  -3.113  -1.787
  264   3HD1  LEU  31          3HD1      LEU  31   1.570  -2.406  -1.639
  265   1HD2  LEU  31          1HD2      LEU  31  -0.402  -3.866   1.243
  266   2HD2  LEU  31          2HD2      LEU  31   0.210  -5.495   0.954
  267   3HD2  LEU  31          3HD2      LEU  31  -0.850  -4.728  -0.229
  268    H    SER  32           H        SER  32   3.595  -7.164  -2.341
  269    HA   SER  32           HA       SER  32   1.931  -9.422  -2.432
  270   1HB   SER  32          2HB       SER  32   3.766 -10.494  -3.743
  271   2HB   SER  32          1HB       SER  32   3.401  -8.859  -4.280
  272    HG   SER  32           HG       SER  32   5.719  -9.650  -3.761
  273    H    LEU  33           H        LEU  33   4.663  -8.838  -0.294
  274    HA   LEU  33           HA       LEU  33   5.079 -11.609   0.443
  275   1HB   LEU  33          2HB       LEU  33   6.091  -8.982   1.270
  276   2HB   LEU  33          1HB       LEU  33   5.913 -10.101   2.620
  277    HG   LEU  33           HG       LEU  33   8.157 -10.267   1.574
  278   1HD1  LEU  33          1HD1      LEU  33   8.102 -12.744   1.168
  279   2HD1  LEU  33          2HD1      LEU  33   6.341 -12.669   1.211
  280   3HD1  LEU  33          3HD1      LEU  33   7.276 -12.256   2.648
  281   1HD2  LEU  33          1HD2      LEU  33   8.445 -10.980  -0.690
  282   2HD2  LEU  33          2HD2      LEU  33   7.252  -9.683  -0.747
  283   3HD2  LEU  33          3HD2      LEU  33   6.732 -11.364  -0.861
  284    H    GLN  34           H        GLN  34   3.023  -8.994   1.683
  285    HA   GLN  34           HA       GLN  34   2.123 -10.574   3.984
  286   1HB   GLN  34          2HB       GLN  34   1.335  -7.893   2.837
  287   2HB   GLN  34          1HB       GLN  34   0.443  -8.632   4.166
  288   1HG   GLN  34          2HG       GLN  34   1.969  -7.636   5.514
  289   2HG   GLN  34          1HG       GLN  34   3.063  -8.916   4.988
  290   1HE2  GLN  34          1HE2      GLN  34   1.932  -5.651   3.913
  291   2HE2  GLN  34          2HE2      GLN  34   3.431  -5.193   3.259
  292    H    ILE  35           H        ILE  35   0.539  -9.336   1.001
  293    HA   ILE  35           HA       ILE  35  -1.856 -10.931   1.476
  294    HB   ILE  35           HB       ILE  35  -2.429 -10.235  -0.911
  295   1HG1  ILE  35          2HG1      ILE  35   0.037  -8.502  -0.575
  296   2HG1  ILE  35          1HG1      ILE  35  -0.029  -9.923  -1.614
  297   1HG2  ILE  35          1HG2      ILE  35  -2.624  -7.775  -0.230
  298   2HG2  ILE  35          2HG2      ILE  35  -1.794  -8.232   1.257
  299   3HG2  ILE  35          3HG2      ILE  35  -3.353  -8.953   0.860
  300   1HD1  ILE  35          1HD1      ILE  35  -2.142  -8.747  -2.627
  301   2HD1  ILE  35          2HD1      ILE  35  -0.538  -8.201  -3.111
  302   3HD1  ILE  35          3HD1      ILE  35  -1.453  -7.293  -1.908
  303    H    GLY  36           H        GLY  36   1.194 -11.558  -0.080
  304   1HA   GLY  36          2HA       GLY  36   1.990 -13.491  -1.158
  305   2HA   GLY  36          1HA       GLY  36   0.572 -14.331  -0.518
  306    H    THR  37           H        THR  37   0.841 -11.549  -2.721
  307    HA   THR  37           HA       THR  37  -0.836 -13.046  -4.697
  308    HB   THR  37           HB       THR  37  -0.615 -10.041  -4.435
  309    HG1  THR  37           HG1      THR  37  -2.446 -11.837  -3.221
  310   1HG2  THR  37          1HG2      THR  37  -2.759 -10.084  -5.627
  311   2HG2  THR  37          2HG2      THR  37  -2.729 -11.847  -5.640
  312   3HG2  THR  37          3HG2      THR  37  -1.523 -10.936  -6.552
  313    H    GLN  38           H        GLN  38   2.230 -11.562  -4.202
  314    HA   GLN  38           HA       GLN  38   4.079 -11.353  -5.623
  315   1HB   GLN  38          2HB       GLN  38   2.323 -12.532  -7.800
  316   2HB   GLN  38          1HB       GLN  38   4.082 -12.444  -7.786
  317   1HG   GLN  38          2HG       GLN  38   2.514 -13.935  -5.671
  318   2HG   GLN  38          1HG       GLN  38   3.084 -14.705  -7.151
  319   1HE2  GLN  38          1HE2      GLN  38   4.100 -13.382  -4.048
  320   2HE2  GLN  38          2HE2      GLN  38   5.725 -13.861  -4.166
  321    HA   PRO  39           HA       PRO  39   3.234  -7.488  -7.557
  322   1HB   PRO  39          2HB       PRO  39   5.619  -7.167  -8.901
  323   2HB   PRO  39          1HB       PRO  39   5.437  -6.941  -7.153
  324   1HG   PRO  39          2HG       PRO  39   6.682  -9.212  -8.636
  325   2HG   PRO  39          1HG       PRO  39   7.027  -8.613  -7.004
  326   1HD   PRO  39          2HD       PRO  39   5.488 -10.899  -7.625
  327   2HD   PRO  39          1HD       PRO  39   5.541 -10.077  -6.050
  328    H    ASN  40           H        ASN  40   1.703  -9.104  -8.894
  329    HA   ASN  40           HA       ASN  40   2.137  -8.484 -11.748
  330   1HB   ASN  40          2HB       ASN  40   2.343 -11.205 -10.585
  331   2HB   ASN  40          1HB       ASN  40   1.321 -11.071 -12.015
  332   1HD2  ASN  40          1HD2      ASN  40   4.627 -10.948 -10.858
  333   2HD2  ASN  40          2HD2      ASN  40   5.355 -10.727 -12.375
  334    H    LYS  41           H        LYS  41   0.063 -10.154  -9.354
  335    HA   LYS  41           HA       LYS  41  -2.332  -9.329 -10.921
  336   1HB   LYS  41          2HB       LYS  41  -1.763 -11.495  -8.937
  337   2HB   LYS  41          1HB       LYS  41  -3.411 -10.875  -9.047
  338   1HG   LYS  41          2HG       LYS  41  -3.762 -11.833 -11.074
  339   2HG   LYS  41          1HG       LYS  41  -2.164 -11.376 -11.661
  340   1HD   LYS  41          2HD       LYS  41  -1.916 -13.371  -9.583
  341   2HD   LYS  41          1HD       LYS  41  -3.001 -13.947 -10.851
  342   1HE   LYS  41          2HE       LYS  41  -1.165 -14.434 -12.072
  343   2HE   LYS  41          1HE       LYS  41  -0.900 -12.697 -12.225
  344   1HZ   LYS  41          1HZ       LYS  41   0.159 -12.995  -9.876
  345   2HZ   LYS  41          2HZ       LYS  41   1.055 -13.356 -11.269
  346   3HZ   LYS  41          3HZ       LYS  41   0.339 -14.607 -10.370
  347    H    ILE  42           H        ILE  42  -0.544  -7.741  -8.853
  348    HA   ILE  42           HA       ILE  42  -2.687  -6.997  -6.928
  349    HB   ILE  42           HB       ILE  42   0.230  -6.160  -7.030
  350   1HG1  ILE  42          2HG1      ILE  42  -1.137  -8.026  -5.075
  351   2HG1  ILE  42          1HG1      ILE  42  -0.290  -8.606  -6.510
  352   1HG2  ILE  42          1HG2      ILE  42  -0.959  -4.449  -5.889
  353   2HG2  ILE  42          2HG2      ILE  42  -0.353  -5.496  -4.606
  354   3HG2  ILE  42          3HG2      ILE  42  -2.039  -5.607  -5.112
  355   1HD1  ILE  42          1HD1      ILE  42   1.672  -7.100  -5.612
  356   2HD1  ILE  42          2HD1      ILE  42   1.405  -8.694  -4.906
  357   3HD1  ILE  42          3HD1      ILE  42   0.827  -7.251  -4.071
  358    H    VAL  43           H        VAL  43  -3.814  -5.133  -7.172
  359    HA   VAL  43           HA       VAL  43  -2.768  -3.072  -9.074
  360    HB   VAL  43           HB       VAL  43  -5.660  -3.929  -8.691
  361   1HG1  VAL  43          1HG1      VAL  43  -4.710  -2.146 -10.902
  362   2HG1  VAL  43          2HG1      VAL  43  -4.935  -1.440  -9.303
  363   3HG1  VAL  43          3HG1      VAL  43  -6.289  -2.216 -10.122
  364   1HG2  VAL  43          1HG2      VAL  43  -5.310  -4.507 -11.201
  365   2HG2  VAL  43          2HG2      VAL  43  -4.646  -5.615 -10.000
  366   3HG2  VAL  43          3HG2      VAL  43  -3.588  -4.467 -10.819
  367    H    LEU  44           H        LEU  44  -2.085  -1.512  -7.647
  368    HA   LEU  44           HA       LEU  44  -3.796  -0.863  -5.301
  369   1HB   LEU  44          2HB       LEU  44  -0.949  -0.136  -6.031
  370   2HB   LEU  44          1HB       LEU  44  -1.791   0.557  -4.644
  371    HG   LEU  44           HG       LEU  44  -1.900  -2.402  -4.898
  372   1HD1  LEU  44          1HD1      LEU  44   0.390  -2.260  -5.419
  373   2HD1  LEU  44          2HD1      LEU  44   0.385  -2.430  -3.664
  374   3HD1  LEU  44          3HD1      LEU  44   0.630  -0.845  -4.395
  375   1HD2  LEU  44          1HD2      LEU  44  -1.046  -0.977  -2.429
  376   2HD2  LEU  44          2HD2      LEU  44  -2.208  -2.288  -2.625
  377   3HD2  LEU  44          3HD2      LEU  44  -2.676  -0.631  -3.007
  378    H    GLN  45           H        GLN  45  -4.810   1.109  -5.080
  379    HA   GLN  45           HA       GLN  45  -4.395   3.136  -7.241
  380   1HB   GLN  45          2HB       GLN  45  -7.117   2.677  -6.044
  381   2HB   GLN  45          1HB       GLN  45  -6.696   3.407  -7.591
  382   1HG   GLN  45          2HG       GLN  45  -5.692   0.956  -8.022
  383   2HG   GLN  45          1HG       GLN  45  -6.942   0.527  -6.855
  384   1HE2  GLN  45          1HE2      GLN  45  -9.151   1.866  -7.415
  385   2HE2  GLN  45          2HE2      GLN  45  -9.605   1.774  -9.047
  386    H    LYS  46           H        LYS  46  -4.019   5.150  -6.431
  387    HA   LYS  46           HA       LYS  46  -4.404   5.575  -3.518
  388   1HB   LYS  46          2HB       LYS  46  -2.325   6.214  -5.242
  389   2HB   LYS  46          1HB       LYS  46  -3.151   7.756  -5.021
  390   1HG   LYS  46          2HG       LYS  46  -3.037   6.489  -2.476
  391   2HG   LYS  46          1HG       LYS  46  -1.426   6.384  -3.185
  392   1HD   LYS  46          2HD       LYS  46  -1.104   8.642  -3.107
  393   2HD   LYS  46          1HD       LYS  46  -2.785   8.994  -3.509
  394   1HE   LYS  46          2HE       LYS  46  -3.326   8.103  -1.141
  395   2HE   LYS  46          1HE       LYS  46  -1.606   8.313  -0.820
  396   1HZ   LYS  46          1HZ       LYS  46  -2.714  10.300  -0.191
  397   2HZ   LYS  46          2HZ       LYS  46  -3.545  10.388  -1.671
  398   3HZ   LYS  46          3HZ       LYS  46  -1.865  10.636  -1.620
  399    H    GLY  47           H        GLY  47  -6.554   6.139  -3.241
  400   1HA   GLY  47          2HA       GLY  47  -8.379   7.616  -3.159
  401   2HA   GLY  47          1HA       GLY  47  -7.376   8.813  -3.981
  402    H    GLY  48           H        GLY  48  -7.307   8.784  -6.315
  403   1HA   GLY  48          2HA       GLY  48  -9.325   7.051  -7.662
  404   2HA   GLY  48          1HA       GLY  48  -9.423   8.798  -7.876
  405    H    SER  49           H        SER  49  -6.575   6.644  -7.760
  406    HA   SER  49           HA       SER  49  -6.045   7.099 -10.628
  407   1HB   SER  49          2HB       SER  49  -3.728   7.953 -10.123
  408   2HB   SER  49          1HB       SER  49  -5.011   9.075  -9.690
  409    HG   SER  49           HG       SER  49  -3.214   7.722  -8.106
  410    H    VAL  50           H        VAL  50  -4.857   5.419 -11.504
  411    HA   VAL  50           HA       VAL  50  -4.359   3.092  -9.790
  412    HB   VAL  50           HB       VAL  50  -3.765   3.500 -12.741
  413   1HG1  VAL  50          1HG1      VAL  50  -3.250   1.335 -10.858
  414   2HG1  VAL  50          2HG1      VAL  50  -2.696   1.522 -12.522
  415   3HG1  VAL  50          3HG1      VAL  50  -4.274   0.804 -12.192
  416   1HG2  VAL  50          1HG2      VAL  50  -6.060   1.885 -11.682
  417   2HG2  VAL  50          2HG2      VAL  50  -5.904   2.724 -13.224
  418   3HG2  VAL  50          3HG2      VAL  50  -6.226   3.639 -11.752
  419    H    LEU  51           H        LEU  51  -2.408   2.511  -8.948
  420    HA   LEU  51           HA       LEU  51  -0.109   4.305  -9.376
  421   1HB   LEU  51          2HB       LEU  51  -0.314   1.860  -7.591
  422   2HB   LEU  51          1HB       LEU  51   0.920   3.116  -7.521
  423    HG   LEU  51           HG       LEU  51  -2.042   3.484  -6.972
  424   1HD1  LEU  51          1HD1      LEU  51  -0.179   2.442  -5.298
  425   2HD1  LEU  51          2HD1      LEU  51  -1.536   3.421  -4.745
  426   3HD1  LEU  51          3HD1      LEU  51   0.046   4.161  -4.976
  427   1HD2  LEU  51          1HD2      LEU  51   0.154   5.376  -7.562
  428   2HD2  LEU  51          2HD2      LEU  51  -0.781   5.762  -6.119
  429   3HD2  LEU  51          3HD2      LEU  51  -1.590   5.607  -7.679
  430    H    LYS  52           H        LYS  52   1.374   3.885 -10.915
  431    HA   LYS  52           HA       LYS  52   1.605   1.105 -11.972
  432   1HB   LYS  52          2HB       LYS  52   1.595   3.722 -13.190
  433   2HB   LYS  52          1HB       LYS  52   3.109   2.897 -13.564
  434   1HG   LYS  52          2HG       LYS  52   0.731   1.171 -13.752
  435   2HG   LYS  52          1HG       LYS  52   0.743   2.502 -14.909
  436   1HD   LYS  52          2HD       LYS  52   2.349   1.507 -16.139
  437   2HD   LYS  52          1HD       LYS  52   3.370   1.288 -14.717
  438   1HE   LYS  52          2HE       LYS  52   1.472  -0.595 -14.242
  439   2HE   LYS  52          1HE       LYS  52   1.498  -0.613 -16.004
  440   1HZ   LYS  52          1HZ       LYS  52   3.861  -0.971 -15.961
  441   2HZ   LYS  52          2HZ       LYS  52   3.101  -2.161 -15.017
  442   3HZ   LYS  52          3HZ       LYS  52   3.895  -0.857 -14.269
  443    H    ASP  53           H        ASP  53   3.598   0.066 -12.008
  444    HA   ASP  53           HA       ASP  53   5.518   0.717  -9.993
  445   1HB   ASP  53          2HB       ASP  53   6.055  -1.034 -12.401
  446   2HB   ASP  53          1HB       ASP  53   6.782  -1.146 -10.799
  447    H    HIS  54           H        HIS  54   5.242   1.762 -13.312
  448    HA   HIS  54           HA       HIS  54   8.022   2.526 -13.656
  449   1HB   HIS  54          2HB       HIS  54   5.457   3.070 -15.125
  450   2HB   HIS  54          1HB       HIS  54   6.903   4.000 -15.518
  451    HD1  HIS  54           HD1      HIS  54   5.329   0.698 -15.989
  452    HD2  HIS  54           HD2      HIS  54   9.132   2.340 -16.438
  453    HE1  HIS  54           HE1      HIS  54   6.658  -0.946 -17.384
  454    H    ILE  55           H        ILE  55   5.459   3.916 -11.840
  455    HA   ILE  55           HA       ILE  55   6.808   6.587 -11.899
  456    HB   ILE  55           HB       ILE  55   3.965   5.850 -11.129
  457   1HG1  ILE  55          2HG1      ILE  55   3.792   7.686 -13.125
  458   2HG1  ILE  55          1HG1      ILE  55   5.293   6.881 -13.578
  459   1HG2  ILE  55          1HG2      ILE  55   4.862   8.677 -11.466
  460   2HG2  ILE  55          2HG2      ILE  55   5.314   7.862  -9.971
  461   3HG2  ILE  55          3HG2      ILE  55   3.614   8.014 -10.413
  462   1HD1  ILE  55          1HD1      ILE  55   2.516   5.798 -13.477
  463   2HD1  ILE  55          2HD1      ILE  55   3.829   4.702 -13.044
  464   3HD1  ILE  55          3HD1      ILE  55   3.808   5.470 -14.631
  465    H    SER  56           H        SER  56   7.437   7.525  -9.943
  466    HA   SER  56           HA       SER  56   7.898   5.674  -7.739
  467   1HB   SER  56          2HB       SER  56   9.333   7.748  -8.647
  468   2HB   SER  56          1HB       SER  56   8.412   8.587  -7.401
  469    HG   SER  56           HG       SER  56  10.303   7.718  -6.522
  470    H    LEU  57           H        LEU  57   7.163   5.983  -5.552
  471    HA   LEU  57           HA       LEU  57   4.395   6.610  -5.258
  472   1HB   LEU  57          2HB       LEU  57   6.628   6.355  -3.224
  473   2HB   LEU  57          1HB       LEU  57   4.942   6.600  -2.769
  474    HG   LEU  57           HG       LEU  57   5.766   4.358  -4.618
  475   1HD1  LEU  57          1HD1      LEU  57   5.699   4.411  -1.590
  476   2HD1  LEU  57          2HD1      LEU  57   7.052   3.959  -2.628
  477   3HD1  LEU  57          3HD1      LEU  57   5.633   2.918  -2.525
  478   1HD2  LEU  57          1HD2      LEU  57   3.311   5.325  -4.039
  479   2HD2  LEU  57          2HD2      LEU  57   3.498   4.201  -2.692
  480   3HD2  LEU  57          3HD2      LEU  57   3.606   3.615  -4.351
  481    H    GLU  58           H        GLU  58   7.307   8.564  -4.819
  482    HA   GLU  58           HA       GLU  58   6.173  10.783  -3.449
  483   1HB   GLU  58          2HB       GLU  58   8.661  10.131  -4.573
  484   2HB   GLU  58          1HB       GLU  58   8.152  11.590  -5.423
  485   1HG   GLU  58          2HG       GLU  58   7.794  11.507  -2.457
  486   2HG   GLU  58          1HG       GLU  58   9.426  11.730  -3.085
  487    H    ASP  59           H        ASP  59   6.271   9.978  -6.909
  488    HA   ASP  59           HA       ASP  59   5.229  12.458  -7.899
  489   1HB   ASP  59          2HB       ASP  59   5.018   9.640  -9.005
  490   2HB   ASP  59          1HB       ASP  59   4.547  11.089  -9.892
  491    H    TYR  60           H        TYR  60   3.624   9.440  -6.870
  492    HA   TYR  60           HA       TYR  60   0.944  10.373  -7.445
  493   1HB   TYR  60          2HB       TYR  60   2.044   8.118  -5.756
  494   2HB   TYR  60          1HB       TYR  60   0.314   8.437  -5.882
  495    HD1  TYR  60           HD1      TYR  60  -0.560   8.789  -8.380
  496    HD2  TYR  60           HD2      TYR  60   3.005   6.652  -7.295
  497    HE1  TYR  60           HE1      TYR  60  -0.628   7.581 -10.542
  498    HE2  TYR  60           HE2      TYR  60   2.938   5.443  -9.459
  499    HH   TYR  60           HH       TYR  60   1.135   6.412 -12.051
  500    H    GLU  61           H        GLU  61   3.158  10.961  -4.848
  501    HA   GLU  61           HA       GLU  61   2.973  12.351  -2.984
  502   1HB   GLU  61          2HB       GLU  61   0.945  13.274  -4.703
  503   2HB   GLU  61          1HB       GLU  61   0.161  13.065  -3.138
  504   1HG   GLU  61          2HG       GLU  61   1.043  15.276  -3.100
  505   2HG   GLU  61          1HG       GLU  61   2.169  14.315  -2.141
  506    H    VAL  62           H        VAL  62   3.027   9.956  -2.201
  507    HA   VAL  62           HA       VAL  62   0.526   9.105  -0.866
  508    HB   VAL  62           HB       VAL  62   3.280   7.823  -0.933
  509   1HG1  VAL  62          1HG1      VAL  62   2.339   5.955   0.147
  510   2HG1  VAL  62          2HG1      VAL  62   0.689   6.461  -0.216
  511   3HG1  VAL  62          3HG1      VAL  62   1.621   7.311   1.016
  512   1HG2  VAL  62          1HG2      VAL  62   0.868   6.718  -2.323
  513   2HG2  VAL  62          2HG2      VAL  62   2.573   6.571  -2.752
  514   3HG2  VAL  62          3HG2      VAL  62   1.711   8.075  -3.074
  515    H    HIS  63           H        HIS  63   0.097   9.713   1.196
  516    HA   HIS  63           HA       HIS  63   2.288  10.920   2.811
  517   1HB   HIS  63          2HB       HIS  63  -0.100  11.970   2.302
  518   2HB   HIS  63          1HB       HIS  63  -0.582  10.966   3.669
  519    HD1  HIS  63           HD1      HIS  63  -0.211  11.981   5.917
  520    HD2  HIS  63           HD2      HIS  63   2.273  13.688   3.039
  521    HE1  HIS  63           HE1      HIS  63   1.054  13.842   7.077
  522    H    ASP  64           H        ASP  64   2.311  10.409   5.168
  523    HA   ASP  64           HA       ASP  64   2.271   7.551   5.620
  524   1HB   ASP  64          2HB       ASP  64   2.881   8.137   7.957
  525   2HB   ASP  64          1HB       ASP  64   3.893   8.980   6.786
  526    H    GLN  65           H        GLN  65   0.824   6.334   6.872
  527    HA   GLN  65           HA       GLN  65  -1.261   5.715   7.734
  528   1HB   GLN  65          2HB       GLN  65  -1.331   8.618   8.631
  529   2HB   GLN  65          1HB       GLN  65  -2.370   7.329   9.236
  530   1HG   GLN  65          2HG       GLN  65   0.653   7.227   9.394
  531   2HG   GLN  65          1HG       GLN  65  -0.361   7.850  10.695
  532   1HE2  GLN  65          1HE2      GLN  65   0.839   4.949   9.198
  533   2HE2  GLN  65          2HE2      GLN  65  -0.003   3.847  10.177
  534    H    THR  66           H        THR  66  -1.095   6.617   4.970
  535    HA   THR  66           HA       THR  66  -3.622   8.109   4.544
  536    HB   THR  66           HB       THR  66  -1.485   8.614   3.245
  537    HG1  THR  66           HG1      THR  66  -3.034   9.455   2.121
  538   1HG2  THR  66          1HG2      THR  66  -2.134   6.384   1.395
  539   2HG2  THR  66          2HG2      THR  66  -1.304   5.940   2.886
  540   3HG2  THR  66          3HG2      THR  66  -0.575   7.108   1.785
  541    H    ASN  67           H        ASN  67  -5.172   7.216   2.896
  542    HA   ASN  67           HA       ASN  67  -5.525   4.297   3.347
  543   1HB   ASN  67          2HB       ASN  67  -7.324   6.593   2.950
  544   2HB   ASN  67          1HB       ASN  67  -7.793   5.150   2.052
  545   1HD2  ASN  67          1HD2      ASN  67  -8.270   3.179   3.298
  546   2HD2  ASN  67          2HD2      ASN  67  -8.598   3.261   4.962
  547    H    LEU  68           H        LEU  68  -5.258   2.871   1.724
  548    HA   LEU  68           HA       LEU  68  -5.052   3.906  -1.079
  549   1HB   LEU  68          2HB       LEU  68  -3.088   2.573   0.524
  550   2HB   LEU  68          1HB       LEU  68  -3.572   1.478  -0.771
  551    HG   LEU  68           HG       LEU  68  -3.176   4.272  -1.632
  552   1HD1  LEU  68          1HD1      LEU  68  -0.875   4.437  -1.315
  553   2HD1  LEU  68          2HD1      LEU  68  -0.674   2.696  -1.121
  554   3HD1  LEU  68          3HD1      LEU  68  -1.361   3.655   0.189
  555   1HD2  LEU  68          1HD2      LEU  68  -3.109   1.598  -2.676
  556   2HD2  LEU  68          2HD2      LEU  68  -1.557   2.369  -3.004
  557   3HD2  LEU  68          3HD2      LEU  68  -3.051   3.120  -3.564
  558    H    GLU  69           H        GLU  69  -5.644   2.301  -2.737
  559    HA   GLU  69           HA       GLU  69  -7.722   0.404  -1.732
  560   1HB   GLU  69          2HB       GLU  69  -7.338   1.807  -4.383
  561   2HB   GLU  69          1HB       GLU  69  -8.457   0.458  -4.189
  562   1HG   GLU  69          2HG       GLU  69  -9.934   2.120  -3.653
  563   2HG   GLU  69          1HG       GLU  69  -9.187   1.972  -2.062
  564    H    LEU  70           H        LEU  70  -7.800  -1.733  -2.637
  565    HA   LEU  70           HA       LEU  70  -5.347  -2.616  -4.087
  566   1HB   LEU  70          2HB       LEU  70  -5.076  -3.116  -1.669
  567   2HB   LEU  70          1HB       LEU  70  -6.584  -4.027  -1.699
  568    HG   LEU  70           HG       LEU  70  -5.627  -5.575  -3.364
  569   1HD1  LEU  70          1HD1      LEU  70  -3.946  -4.763  -4.640
  570   2HD1  LEU  70          2HD1      LEU  70  -2.885  -5.093  -3.271
  571   3HD1  LEU  70          3HD1      LEU  70  -3.582  -3.487  -3.480
  572   1HD2  LEU  70          1HD2      LEU  70  -4.384  -6.805  -1.825
  573   2HD2  LEU  70          2HD2      LEU  70  -5.223  -5.683  -0.753
  574   3HD2  LEU  70          3HD2      LEU  70  -3.546  -5.382  -1.209
  575    H    TYR  71           H        TYR  71  -5.797  -3.987  -5.751
  576    HA   TYR  71           HA       TYR  71  -8.445  -5.359  -5.815
  577   1HB   TYR  71          2HB       TYR  71  -7.240  -3.625  -7.989
  578   2HB   TYR  71          1HB       TYR  71  -8.567  -4.751  -8.274
  579    HD1  TYR  71           HD1      TYR  71 -10.770  -4.397  -7.220
  580    HD2  TYR  71           HD2      TYR  71  -7.564  -1.581  -6.731
  581    HE1  TYR  71           HE1      TYR  71 -12.382  -2.707  -6.388
  582    HE2  TYR  71           HE2      TYR  71  -9.175   0.109  -5.900
  583    HH   TYR  71           HH       TYR  71 -11.844  -0.343  -4.673
  584    H    TYR  72           H        TYR  72  -8.428  -7.329  -6.992
  585    HA   TYR  72           HA       TYR  72  -5.694  -8.391  -7.516
  586   1HB   TYR  72          2HB       TYR  72  -8.360  -9.726  -6.989
  587   2HB   TYR  72          1HB       TYR  72  -6.952 -10.623  -7.559
  588    HD1  TYR  72           HD1      TYR  72  -4.718 -10.196  -6.219
  589    HD2  TYR  72           HD2      TYR  72  -8.660  -9.440  -4.684
  590    HE1  TYR  72           HE1      TYR  72  -3.841 -10.291  -3.906
  591    HE2  TYR  72           HE2      TYR  72  -7.777  -9.536  -2.368
  592    HH   TYR  72           HH       TYR  72  -5.225  -9.079  -1.354
  593    H    LEU  73           HN       LEU  73  -5.102  -8.135  -9.617
  594    HA   LEU  73           HA       LEU  73  -6.871  -9.190 -11.729
  595   1HB   LEU  73          2HB       LEU  73  -6.766  -6.412 -11.199
  596   2HB   LEU  73          1HB       LEU  73  -5.815  -6.669 -12.661
  597    HG   LEU  73           HG       LEU  73  -8.187  -8.288 -12.792
  598   1HD1  LEU  73          1HD1      LEU  73  -9.695  -6.137 -13.014
  599   2HD1  LEU  73          2HD1      LEU  73  -8.528  -5.446 -11.887
  600   3HD1  LEU  73          3HD1      LEU  73  -9.452  -6.879 -11.433
  601   1HD2  LEU  73          1HD2      LEU  73  -8.474  -6.322 -14.676
  602   2HD2  LEU  73          2HD2      LEU  73  -7.459  -7.750 -14.887
  603   3HD2  LEU  73          3HD2      LEU  73  -6.743  -6.230 -14.351
  Start of MODEL    6
    1    H    MET   1           1H       MET   1  11.340   5.999   5.810
    2    HA   MET   1           HA       MET   1   9.326   5.098   4.769
    3   1HB   MET   1          2HB       MET   1  10.962   3.936   6.642
    4   2HB   MET   1          1HB       MET   1   9.369   3.668   7.351
    5   1HG   MET   1          2HG       MET   1   8.612   2.438   5.493
    6   2HG   MET   1          1HG       MET   1   9.865   3.088   4.437
    7   1HE   MET   1          1HE       MET   1   9.897   0.292   3.830
    8   2HE   MET   1          2HE       MET   1  11.586  -0.107   4.124
    9   3HE   MET   1          3HE       MET   1  11.164   1.479   3.483
   10    H    ILE   2           H        ILE   2   7.107   4.953   4.786
   11    HA   ILE   2           HA       ILE   2   5.692   6.066   7.180
   12    HB   ILE   2           HB       ILE   2   3.942   6.861   5.614
   13   1HG1  ILE   2          2HG1      ILE   2   5.845   6.190   3.361
   14   2HG1  ILE   2          1HG1      ILE   2   4.579   5.067   3.859
   15   1HG2  ILE   2          1HG2      ILE   2   6.667   7.822   4.710
   16   2HG2  ILE   2          2HG2      ILE   2   5.964   8.260   6.267
   17   3HG2  ILE   2          3HG2      ILE   2   5.165   8.744   4.771
   18   1HD1  ILE   2          1HD1      ILE   2   3.021   7.176   3.648
   19   2HD1  ILE   2          2HD1      ILE   2   3.486   6.285   2.199
   20   3HD1  ILE   2          3HD1      ILE   2   4.314   7.786   2.614
   21    H    GLU   3           H        GLU   3   3.455   5.212   7.462
   22    HA   GLU   3           HA       GLU   3   3.294   2.348   6.601
   23   1HB   GLU   3          2HB       GLU   3   3.317   3.361   9.169
   24   2HB   GLU   3          1HB       GLU   3   1.591   3.183   8.854
   25   1HG   GLU   3          2HG       GLU   3   3.550   0.967   8.238
   26   2HG   GLU   3          1HG       GLU   3   2.815   1.137   9.832
   27    H    VAL   4           H        VAL   4   1.953   2.328   4.845
   28    HA   VAL   4           HA       VAL   4  -0.467   4.063   4.868
   29    HB   VAL   4           HB       VAL   4  -0.622   3.584   2.472
   30   1HG1  VAL   4          1HG1      VAL   4   0.941   5.153   2.031
   31   2HG1  VAL   4          2HG1      VAL   4   2.256   4.081   2.511
   32   3HG1  VAL   4          3HG1      VAL   4   1.404   5.032   3.729
   33   1HG2  VAL   4          1HG2      VAL   4   0.916   2.121   1.343
   34   2HG2  VAL   4          2HG2      VAL   4   0.271   1.213   2.709
   35   3HG2  VAL   4          3HG2      VAL   4   1.887   1.914   2.799
   36    H    VAL   5           H        VAL   5  -2.541   3.126   4.242
   37    HA   VAL   5           HA       VAL   5  -2.814   0.307   5.192
   38    HB   VAL   5           HB       VAL   5  -4.978   2.412   4.869
   39   1HG1  VAL   5          1HG1      VAL   5  -6.081   0.359   4.952
   40   2HG1  VAL   5          2HG1      VAL   5  -5.985   0.765   6.666
   41   3HG1  VAL   5          3HG1      VAL   5  -4.841  -0.380   5.966
   42   1HG2  VAL   5          1HG2      VAL   5  -3.313   1.615   7.277
   43   2HG2  VAL   5          2HG2      VAL   5  -4.812   2.536   7.393
   44   3HG2  VAL   5          3HG2      VAL   5  -3.425   3.213   6.540
   45    H    VAL   6           H        VAL   6  -3.699  -1.244   3.831
   46    HA   VAL   6           HA       VAL   6  -4.639  -0.335   1.136
   47    HB   VAL   6           HB       VAL   6  -2.899  -2.762   1.700
   48   1HG1  VAL   6          1HG1      VAL   6  -4.348  -1.708  -0.690
   49   2HG1  VAL   6          2HG1      VAL   6  -4.026  -3.377  -0.215
   50   3HG1  VAL   6          3HG1      VAL   6  -2.750  -2.407  -0.950
   51   1HG2  VAL   6          1HG2      VAL   6  -2.098  -0.338   0.091
   52   2HG2  VAL   6          2HG2      VAL   6  -1.066  -1.565   0.825
   53   3HG2  VAL   6          3HG2      VAL   6  -1.868  -0.367   1.840
   54    H    ASN   7           H        ASN   7  -6.741  -0.899   0.983
   55    HA   ASN   7           HA       ASN   7  -7.606  -3.488   2.213
   56   1HB   ASN   7          2HB       ASN   7  -9.847  -2.469   2.480
   57   2HB   ASN   7          1HB       ASN   7  -8.618  -1.562   3.358
   58   1HD2  ASN   7          1HD2      ASN   7  -8.012   0.570   2.522
   59   2HD2  ASN   7          2HD2      ASN   7  -8.953   1.357   1.349
   60    H    ASP   8           H        ASP   8  -8.890  -4.853   0.953
   61    HA   ASP   8           HA       ASP   8  -8.703  -4.497  -1.932
   62   1HB   ASP   8          2HB       ASP   8  -9.590  -6.634  -0.068
   63   2HB   ASP   8          1HB       ASP   8 -10.328  -6.646  -1.669
   64    H    ARG   9           H        ARG   9 -10.974  -3.472   0.404
   65    HA   ARG   9           HA       ARG   9 -13.013  -2.356   0.177
   66   1HB   ARG   9          2HB       ARG   9 -11.718  -1.844  -2.204
   67   2HB   ARG   9          1HB       ARG   9 -13.231  -2.569  -2.749
   68   1HG   ARG   9          2HG       ARG   9 -14.388  -0.712  -2.213
   69   2HG   ARG   9          1HG       ARG   9 -13.720  -0.708  -0.580
   70   1HD   ARG   9          2HD       ARG   9 -11.550   0.175  -1.826
   71   2HD   ARG   9          1HD       ARG   9 -12.726   0.684  -3.038
   72    HE   ARG   9           HE       ARG   9 -13.890   1.787  -0.940
   73   1HH1  ARG   9          1HH2      ARG   9 -11.676   1.301   0.950
   74   2HH1  ARG   9          2HH2      ARG   9 -10.705   2.727   0.791
   75   1HH2  ARG   9          2HH1      ARG   9 -12.142   3.687  -2.226
   76   2HH2  ARG   9          1HH1      ARG   9 -10.970   4.082  -1.014
   77    H    LEU  10           H        LEU  10 -12.653  -5.426   0.019
   78    HA   LEU  10           HA       LEU  10 -15.483  -5.987  -0.740
   79   1HB   LEU  10          2HB       LEU  10 -13.209  -6.938  -2.135
   80   2HB   LEU  10          1HB       LEU  10 -13.796  -8.301  -1.186
   81    HG   LEU  10           HG       LEU  10 -14.887  -8.260  -3.386
   82   1HD1  LEU  10          1HD1      LEU  10 -16.125  -8.668  -1.031
   83   2HD1  LEU  10          2HD1      LEU  10 -16.965  -8.796  -2.575
   84   3HD1  LEU  10          3HD1      LEU  10 -17.093  -7.318  -1.623
   85   1HD2  LEU  10          1HD2      LEU  10 -15.767  -6.386  -4.339
   86   2HD2  LEU  10          2HD2      LEU  10 -14.747  -5.534  -3.182
   87   3HD2  LEU  10          3HD2      LEU  10 -16.449  -5.814  -2.816
   88    H    GLY  11           H        GLY  11 -12.603  -7.497   0.779
   89   1HA   GLY  11          2HA       GLY  11 -13.822  -7.712   3.371
   90   2HA   GLY  11          1HA       GLY  11 -13.948  -9.256   2.525
   91    H    LYS  12           H        LYS  12 -11.340  -6.802   2.538
   92    HA   LYS  12           HA       LYS  12  -9.536  -8.590   4.015
   93   1HB   LYS  12          2HB       LYS  12  -9.657  -8.734   1.179
   94   2HB   LYS  12          1HB       LYS  12  -8.157  -7.899   1.586
   95   1HG   LYS  12          2HG       LYS  12  -7.644  -9.730   3.215
   96   2HG   LYS  12          1HG       LYS  12  -9.067 -10.593   2.633
   97   1HD   LYS  12          2HD       LYS  12  -7.777 -11.470   1.006
   98   2HD   LYS  12          1HD       LYS  12  -7.660  -9.851   0.317
   99   1HE   LYS  12          2HE       LYS  12  -5.863 -10.604   2.599
  100   2HE   LYS  12          1HE       LYS  12  -5.461 -11.147   0.968
  101   1HZ   LYS  12          1HZ       LYS  12  -5.610  -8.839   0.225
  102   2HZ   LYS  12          2HZ       LYS  12  -4.429  -9.036   1.426
  103   3HZ   LYS  12          3HZ       LYS  12  -5.931  -8.338   1.815
  104    H    LYS  13           H        LYS  13  -7.932  -7.402   5.023
  105    HA   LYS  13           HA       LYS  13  -7.376  -4.647   4.043
  106   1HB   LYS  13          2HB       LYS  13  -9.176  -4.704   5.890
  107   2HB   LYS  13          1HB       LYS  13  -7.871  -5.191   6.972
  108   1HG   LYS  13          2HG       LYS  13  -6.800  -3.042   5.556
  109   2HG   LYS  13          1HG       LYS  13  -8.467  -2.558   5.867
  110   1HD   LYS  13          2HD       LYS  13  -8.098  -2.323   8.089
  111   2HD   LYS  13          1HD       LYS  13  -7.181  -3.827   8.180
  112   1HE   LYS  13          2HE       LYS  13  -5.821  -1.659   6.717
  113   2HE   LYS  13          1HE       LYS  13  -6.078  -1.327   8.427
  114   1HZ   LYS  13          1HZ       LYS  13  -5.228  -3.913   8.391
  115   2HZ   LYS  13          2HZ       LYS  13  -4.272  -2.557   8.755
  116   3HZ   LYS  13          3HZ       LYS  13  -4.291  -3.186   7.177
  117    H    VAL  14           H        VAL  14  -5.222  -4.546   3.781
  118    HA   VAL  14           HA       VAL  14  -3.461  -5.924   5.775
  119    HB   VAL  14           HB       VAL  14  -2.869  -5.574   2.819
  120   1HG1  VAL  14          1HG1      VAL  14  -0.803  -5.793   3.896
  121   2HG1  VAL  14          2HG1      VAL  14  -1.199  -7.471   3.529
  122   3HG1  VAL  14          3HG1      VAL  14  -1.458  -6.840   5.155
  123   1HG2  VAL  14          1HG2      VAL  14  -4.689  -7.142   2.993
  124   2HG2  VAL  14          2HG2      VAL  14  -3.945  -7.941   4.377
  125   3HG2  VAL  14          3HG2      VAL  14  -3.218  -8.089   2.778
  126    H    ARG  15           H        ARG  15  -1.638  -4.763   6.429
  127    HA   ARG  15           HA       ARG  15  -1.524  -1.913   5.530
  128   1HB   ARG  15          2HB       ARG  15  -0.438  -1.482   7.740
  129   2HB   ARG  15          1HB       ARG  15  -2.073  -2.119   7.899
  130   1HG   ARG  15          2HG       ARG  15  -1.349  -3.986   8.948
  131   2HG   ARG  15          1HG       ARG  15  -0.075  -4.248   7.759
  132   1HD   ARG  15          2HD       ARG  15   0.647  -1.954   9.286
  133   2HD   ARG  15          1HD       ARG  15   0.168  -3.218  10.418
  134    HE   ARG  15           HE       ARG  15   1.883  -4.676   9.375
  135   1HH1  ARG  15          1HH2      ARG  15   3.201  -2.121  10.449
  136   2HH1  ARG  15          2HH2      ARG  15   4.276  -1.738   9.147
  137   1HH2  ARG  15          2HH1      ARG  15   2.707  -3.850   6.881
  138   2HH2  ARG  15          1HH1      ARG  15   3.995  -2.718   7.122
  139    H    VAL  16           H        VAL  16   0.460  -1.106   4.817
  140    HA   VAL  16           HA       VAL  16   2.841  -2.873   5.001
  141    HB   VAL  16           HB       VAL  16   1.667  -3.408   2.870
  142   1HG1  VAL  16          1HG1      VAL  16   1.682  -1.668   1.074
  143   2HG1  VAL  16          2HG1      VAL  16   2.185  -0.479   2.274
  144   3HG1  VAL  16          3HG1      VAL  16   0.612  -1.263   2.415
  145   1HG2  VAL  16          1HG2      VAL  16   4.125  -1.897   2.063
  146   2HG2  VAL  16          2HG2      VAL  16   3.631  -3.538   1.647
  147   3HG2  VAL  16          3HG2      VAL  16   4.290  -3.194   3.245
  148    H    LYS  17           H        LYS  17   4.783  -1.731   5.071
  149    HA   LYS  17           HA       LYS  17   4.509   1.242   5.098
  150   1HB   LYS  17          2HB       LYS  17   6.393   1.297   6.624
  151   2HB   LYS  17          1HB       LYS  17   5.209   0.149   7.241
  152   1HG   LYS  17          2HG       LYS  17   6.565  -1.648   5.975
  153   2HG   LYS  17          1HG       LYS  17   7.835  -0.428   5.867
  154   1HD   LYS  17          2HD       LYS  17   8.046  -0.287   8.236
  155   2HD   LYS  17          1HD       LYS  17   6.535  -1.162   8.496
  156   1HE   LYS  17          2HE       LYS  17   7.724  -3.091   7.185
  157   2HE   LYS  17          1HE       LYS  17   9.204  -2.229   7.600
  158   1HZ   LYS  17          1HZ       LYS  17   7.186  -2.859   9.660
  159   2HZ   LYS  17          2HZ       LYS  17   8.837  -2.514   9.854
  160   3HZ   LYS  17          3HZ       LYS  17   8.350  -4.006   9.203
  161    H    CYS  18           H        CYS  18   5.993   2.508   3.956
  162    HA   CYS  18           HA       CYS  18   8.271   1.356   2.548
  163   1HB   CYS  18          2HB       CYS  18   5.704   1.346   1.246
  164   2HB   CYS  18          1HB       CYS  18   6.760   2.490   0.419
  165    HG   CYS  18           HG       CYS  18   6.975  -0.447   0.122
  166    H    LEU  19           H        LEU  19   9.486   3.051   1.384
  167    HA   LEU  19           HA       LEU  19   9.222   5.659   2.688
  168   1HB   LEU  19          2HB       LEU  19  11.223   4.271   0.996
  169   2HB   LEU  19          1HB       LEU  19  11.157   6.021   0.803
  170    HG   LEU  19           HG       LEU  19  11.061   5.129   3.607
  171   1HD1  LEU  19          1HD1      LEU  19  13.198   4.220   3.800
  172   2HD1  LEU  19          2HD1      LEU  19  13.742   4.913   2.273
  173   3HD1  LEU  19          3HD1      LEU  19  12.664   3.518   2.273
  174   1HD2  LEU  19          1HD2      LEU  19  11.921   7.371   2.005
  175   2HD2  LEU  19          2HD2      LEU  19  13.250   6.845   3.037
  176   3HD2  LEU  19          3HD2      LEU  19  11.702   7.287   3.754
  177    H    ALA  20           H        ALA  20   8.682   7.616   1.641
  178    HA   ALA  20           HA       ALA  20   6.793   7.463  -0.521
  179   1HB   ALA  20          1HB       ALA  20   8.294   9.974   0.228
  180   2HB   ALA  20          2HB       ALA  20   7.051   9.304   1.285
  181   3HB   ALA  20          3HB       ALA  20   6.635   9.817  -0.349
  182    H    GLU  21           H        GLU  21  10.265   7.716  -0.434
  183    HA   GLU  21           HA       GLU  21  10.497   8.730  -3.183
  184   1HB   GLU  21          2HB       GLU  21  12.908   8.467  -2.848
  185   2HB   GLU  21          1HB       GLU  21  12.200   9.281  -1.454
  186   1HG   GLU  21          2HG       GLU  21  12.063   7.028  -0.314
  187   2HG   GLU  21          1HG       GLU  21  12.987   6.359  -1.656
  188    H    ASP  22           H        ASP  22  10.165   5.646  -1.636
  189    HA   ASP  22           HA       ASP  22  11.524   3.987  -3.520
  190   1HB   ASP  22          2HB       ASP  22   9.571   3.627  -1.358
  191   2HB   ASP  22          1HB       ASP  22   9.362   2.472  -2.673
  192    H    SER  23           H        SER  23  10.618   2.734  -5.281
  193    HA   SER  23           HA       SER  23   8.679   4.269  -6.852
  194   1HB   SER  23          2HB       SER  23   9.171   2.633  -8.631
  195   2HB   SER  23          1HB       SER  23  10.656   3.277  -7.940
  196    HG   SER  23           HG       SER  23  10.864   1.068  -8.032
  197    H    VAL  24           H        VAL  24   6.766   3.214  -7.855
  198    HA   VAL  24           HA       VAL  24   5.074   1.935  -5.940
  199    HB   VAL  24           HB       VAL  24   4.879   2.077  -8.963
  200   1HG1  VAL  24          1HG1      VAL  24   3.365   0.391  -8.629
  201   2HG1  VAL  24          2HG1      VAL  24   2.327   1.724  -8.126
  202   3HG1  VAL  24          3HG1      VAL  24   3.174   0.761  -6.916
  203   1HG2  VAL  24          1HG2      VAL  24   4.466   4.248  -8.397
  204   2HG2  VAL  24          2HG2      VAL  24   4.163   3.848  -6.706
  205   3HG2  VAL  24          3HG2      VAL  24   2.889   3.634  -7.906
  206    H    GLY  25           H        GLY  25   7.180   0.656  -8.495
  207   1HA   GLY  25          2HA       GLY  25   6.345  -2.058  -8.479
  208   2HA   GLY  25          1HA       GLY  25   7.982  -1.521  -8.860
  209    H    ASP  26           H        ASP  26   8.767  -0.386  -6.447
  210    HA   ASP  26           HA       ASP  26   9.464  -2.694  -4.870
  211   1HB   ASP  26          2HB       ASP  26  10.800  -0.548  -5.022
  212   2HB   ASP  26          1HB       ASP  26   9.574   0.214  -4.010
  213    H    PHE  27           H        PHE  27   7.030  -0.128  -4.514
  214    HA   PHE  27           HA       PHE  27   6.086  -0.811  -1.909
  215   1HB   PHE  27          2HB       PHE  27   5.492   1.282  -3.135
  216   2HB   PHE  27          1HB       PHE  27   4.500   0.327  -4.236
  217    HD1  PHE  27           HD1      PHE  27   2.325  -0.430  -3.612
  218    HD2  PHE  27           HD2      PHE  27   4.907   1.367  -0.689
  219    HE1  PHE  27           HE1      PHE  27   0.436  -0.321  -2.011
  220    HE2  PHE  27           HE2      PHE  27   3.017   1.475   0.912
  221    HZ   PHE  27           HZ       PHE  27   0.782   0.630   0.249
  222    H    LYS  28           H        LYS  28   5.139  -1.973  -5.143
  223    HA   LYS  28           HA       LYS  28   3.032  -3.714  -4.196
  224   1HB   LYS  28          2HB       LYS  28   4.552  -3.409  -6.775
  225   2HB   LYS  28          1HB       LYS  28   3.509  -4.813  -6.535
  226   1HG   LYS  28          2HG       LYS  28   1.677  -3.180  -5.861
  227   2HG   LYS  28          1HG       LYS  28   2.723  -1.894  -6.459
  228   1HD   LYS  28          2HD       LYS  28   2.830  -3.151  -8.659
  229   2HD   LYS  28          1HD       LYS  28   1.561  -4.203  -8.034
  230   1HE   LYS  28          2HE       LYS  28  -0.048  -2.624  -8.303
  231   2HE   LYS  28          1HE       LYS  28   0.990  -1.336  -7.699
  232   1HZ   LYS  28          1HZ       LYS  28   0.272  -1.744 -10.300
  233   2HZ   LYS  28          2HZ       LYS  28   1.865  -2.329 -10.234
  234   3HZ   LYS  28          3HZ       LYS  28   1.520  -0.735  -9.755
  235    H    LYS  29           H        LYS  29   6.511  -4.060  -4.597
  236    HA   LYS  29           HA       LYS  29   6.600  -6.943  -4.451
  237   1HB   LYS  29          2HB       LYS  29   8.597  -4.729  -4.061
  238   2HB   LYS  29          1HB       LYS  29   9.024  -6.382  -3.621
  239   1HG   LYS  29          2HG       LYS  29   8.214  -7.050  -5.957
  240   2HG   LYS  29          1HG       LYS  29   8.225  -5.327  -6.334
  241   1HD   LYS  29          2HD       LYS  29  10.664  -5.490  -5.258
  242   2HD   LYS  29          1HD       LYS  29  10.516  -7.163  -5.795
  243   1HE   LYS  29          2HE       LYS  29  11.127  -6.451  -7.845
  244   2HE   LYS  29          1HE       LYS  29   9.557  -5.654  -7.947
  245   1HZ   LYS  29          1HZ       LYS  29  12.062  -4.472  -6.875
  246   2HZ   LYS  29          2HZ       LYS  29  10.545  -3.704  -6.879
  247   3HZ   LYS  29          3HZ       LYS  29  11.315  -4.077  -8.347
  248    H    VAL  30           H        VAL  30   6.859  -4.351  -2.011
  249    HA   VAL  30           HA       VAL  30   7.331  -6.166   0.202
  250    HB   VAL  30           HB       VAL  30   6.256  -3.324   0.246
  251   1HG1  VAL  30          1HG1      VAL  30   7.125  -5.282   2.325
  252   2HG1  VAL  30          2HG1      VAL  30   5.890  -4.027   2.410
  253   3HG1  VAL  30          3HG1      VAL  30   7.594  -3.597   2.555
  254   1HG2  VAL  30          1HG2      VAL  30   8.551  -2.621   0.535
  255   2HG2  VAL  30          2HG2      VAL  30   8.495  -3.646  -0.898
  256   3HG2  VAL  30          3HG2      VAL  30   9.106  -4.292   0.623
  257    H    LEU  31           H        LEU  31   4.447  -4.609  -1.183
  258    HA   LEU  31           HA       LEU  31   2.616  -5.553   0.840
  259   1HB   LEU  31          2HB       LEU  31   2.086  -3.651  -0.653
  260   2HB   LEU  31          1HB       LEU  31   2.081  -4.744  -2.037
  261    HG   LEU  31           HG       LEU  31   0.283  -6.080  -0.814
  262   1HD1  LEU  31          1HD1      LEU  31  -0.431  -5.433   1.227
  263   2HD1  LEU  31          2HD1      LEU  31  -0.605  -3.758   0.708
  264   3HD1  LEU  31          3HD1      LEU  31   0.957  -4.348   1.275
  265   1HD2  LEU  31          1HD2      LEU  31  -0.200  -4.539  -2.696
  266   2HD2  LEU  31          2HD2      LEU  31  -0.350  -3.204  -1.553
  267   3HD2  LEU  31          3HD2      LEU  31  -1.504  -4.537  -1.508
  268    H    SER  32           H        SER  32   3.473  -6.754  -2.420
  269    HA   SER  32           HA       SER  32   1.718  -8.980  -2.502
  270   1HB   SER  32          2HB       SER  32   3.235  -9.897  -4.198
  271   2HB   SER  32          1HB       SER  32   2.996  -8.173  -4.455
  272    HG   SER  32           HG       SER  32   5.201  -8.749  -4.575
  273    H    LEU  33           H        LEU  33   4.716  -8.561  -0.724
  274    HA   LEU  33           HA       LEU  33   5.303 -11.350  -0.310
  275   1HB   LEU  33          2HB       LEU  33   6.139  -8.769   0.932
  276   2HB   LEU  33          1HB       LEU  33   6.398 -10.237   1.873
  277    HG   LEU  33           HG       LEU  33   7.227 -10.142  -1.018
  278   1HD1  LEU  33          1HD1      LEU  33   8.149  -8.172   0.473
  279   2HD1  LEU  33          2HD1      LEU  33   9.253  -9.085  -0.557
  280   3HD1  LEU  33          3HD1      LEU  33   9.161  -9.439   1.169
  281   1HD2  LEU  33          1HD2      LEU  33   8.520 -11.531   1.336
  282   2HD2  LEU  33          2HD2      LEU  33   8.678 -11.916  -0.378
  283   3HD2  LEU  33          3HD2      LEU  33   7.165 -12.249   0.463
  284    H    GLN  34           H        GLN  34   3.254  -9.016   1.410
  285    HA   GLN  34           HA       GLN  34   2.658 -10.881   3.589
  286   1HB   GLN  34          2HB       GLN  34   1.427  -8.220   2.809
  287   2HB   GLN  34          1HB       GLN  34   1.009  -9.123   4.266
  288   1HG   GLN  34          2HG       GLN  34   3.259  -8.930   5.120
  289   2HG   GLN  34          1HG       GLN  34   3.833  -8.247   3.598
  290   1HE2  GLN  34          1HE2      GLN  34   2.715  -6.086   2.958
  291   2HE2  GLN  34          2HE2      GLN  34   2.329  -5.018   4.220
  292    H    ILE  35           H        ILE  35   0.830  -9.533   0.812
  293    HA   ILE  35           HA       ILE  35  -1.495 -11.205   1.330
  294    HB   ILE  35           HB       ILE  35  -2.242 -10.429  -0.942
  295   1HG1  ILE  35          2HG1      ILE  35   0.384  -8.906  -0.869
  296   2HG1  ILE  35          1HG1      ILE  35   0.005 -10.229  -1.965
  297   1HG2  ILE  35          1HG2      ILE  35  -1.251  -8.043   0.582
  298   2HG2  ILE  35          2HG2      ILE  35  -2.414  -9.138   1.331
  299   3HG2  ILE  35          3HG2      ILE  35  -2.822  -8.313  -0.174
  300   1HD1  ILE  35          1HD1      ILE  35  -1.821  -7.847  -1.842
  301   2HD1  ILE  35          2HD1      ILE  35  -1.533  -8.961  -3.177
  302   3HD1  ILE  35          3HD1      ILE  35  -0.322  -7.748  -2.766
  303    H    GLY  36           H        GLY  36   1.476 -11.652  -0.463
  304   1HA   GLY  36          2HA       GLY  36   2.281 -13.541  -1.612
  305   2HA   GLY  36          1HA       GLY  36   0.927 -14.449  -0.927
  306    H    THR  37           H        THR  37   0.912 -11.558  -2.996
  307    HA   THR  37           HA       THR  37  -0.649 -13.103  -5.032
  308    HB   THR  37           HB       THR  37  -0.969 -10.137  -4.596
  309    HG1  THR  37           HG1      THR  37  -2.649 -10.626  -3.158
  310   1HG2  THR  37          1HG2      THR  37  -3.399 -11.172  -5.237
  311   2HG2  THR  37          2HG2      THR  37  -2.330 -12.312  -6.054
  312   3HG2  THR  37          3HG2      THR  37  -2.232 -10.590  -6.424
  313    H    GLN  38           H        GLN  38   2.331 -11.925  -4.609
  314    HA   GLN  38           HA       GLN  38   4.038 -11.276  -6.061
  315   1HB   GLN  38          2HB       GLN  38   1.897 -12.098  -8.013
  316   2HB   GLN  38          1HB       GLN  38   3.375 -11.334  -8.593
  317   1HG   GLN  38          2HG       GLN  38   4.718 -13.107  -7.927
  318   2HG   GLN  38          1HG       GLN  38   3.606 -13.603  -6.650
  319   1HE2  GLN  38          1HE2      GLN  38   3.521 -13.268 -10.260
  320   2HE2  GLN  38          2HE2      GLN  38   2.684 -14.722 -10.511
  321    HA   PRO  39           HA       PRO  39   3.361  -6.975  -6.698
  322   1HB   PRO  39          2HB       PRO  39   5.581  -6.418  -8.224
  323   2HB   PRO  39          1HB       PRO  39   5.638  -6.712  -6.478
  324   1HG   PRO  39          2HG       PRO  39   6.472  -8.504  -8.710
  325   2HG   PRO  39          1HG       PRO  39   7.050  -8.451  -7.037
  326   1HD   PRO  39          2HD       PRO  39   5.222 -10.332  -8.099
  327   2HD   PRO  39          1HD       PRO  39   5.553 -10.056  -6.376
  328    H    ASN  40           H        ASN  40   3.323  -9.202  -9.327
  329    HA   ASN  40           HA       ASN  40   2.549  -7.086 -11.277
  330   1HB   ASN  40          2HB       ASN  40   3.513  -9.929 -11.555
  331   2HB   ASN  40          1HB       ASN  40   2.687  -9.122 -12.887
  332   1HD2  ASN  40          1HD2      ASN  40   3.762  -7.249 -13.879
  333   2HD2  ASN  40          2HD2      ASN  40   5.411  -6.947 -13.615
  334    H    LYS  41           H        LYS  41   1.061  -9.178  -9.099
  335    HA   LYS  41           HA       LYS  41  -1.358  -9.412 -10.847
  336   1HB   LYS  41          2HB       LYS  41   0.019 -11.379  -9.320
  337   2HB   LYS  41          1HB       LYS  41  -1.526 -11.087  -8.519
  338   1HG   LYS  41          2HG       LYS  41  -2.577 -12.280 -10.109
  339   2HG   LYS  41          1HG       LYS  41  -2.004 -11.145 -11.333
  340   1HD   LYS  41          2HD       LYS  41   0.262 -12.521 -11.007
  341   2HD   LYS  41          1HD       LYS  41  -0.868 -13.783 -10.515
  342   1HE   LYS  41          2HE       LYS  41  -0.979 -14.198 -12.755
  343   2HE   LYS  41          1HE       LYS  41  -2.115 -12.849 -12.743
  344   1HZ   LYS  41          1HZ       LYS  41   0.707 -12.892 -13.567
  345   2HZ   LYS  41          2HZ       LYS  41   0.033 -11.444 -12.983
  346   3HZ   LYS  41          3HZ       LYS  41  -0.630 -12.206 -14.350
  347    H    ILE  42           H        ILE  42  -0.411  -7.162  -8.967
  348    HA   ILE  42           HA       ILE  42  -2.955  -7.023  -7.408
  349    HB   ILE  42           HB       ILE  42  -1.633  -5.700  -5.675
  350   1HG1  ILE  42          2HG1      ILE  42   0.730  -7.077  -6.992
  351   2HG1  ILE  42          1HG1      ILE  42   0.363  -5.365  -7.187
  352   1HG2  ILE  42          1HG2      ILE  42  -1.612  -8.611  -6.185
  353   2HG2  ILE  42          2HG2      ILE  42  -2.135  -7.718  -4.758
  354   3HG2  ILE  42          3HG2      ILE  42  -0.423  -8.054  -5.009
  355   1HD1  ILE  42          1HD1      ILE  42   1.838  -5.284  -5.395
  356   2HD1  ILE  42          2HD1      ILE  42   1.300  -6.833  -4.748
  357   3HD1  ILE  42          3HD1      ILE  42   0.297  -5.396  -4.544
  358    H    VAL  43           H        VAL  43  -4.040  -5.131  -7.579
  359    HA   VAL  43           HA       VAL  43  -2.759  -2.934  -9.156
  360    HB   VAL  43           HB       VAL  43  -5.698  -3.670  -8.879
  361   1HG1  VAL  43          1HG1      VAL  43  -5.972  -1.466  -9.372
  362   2HG1  VAL  43          2HG1      VAL  43  -5.467  -1.931 -10.996
  363   3HG1  VAL  43          3HG1      VAL  43  -4.289  -1.272  -9.862
  364   1HG2  VAL  43          1HG2      VAL  43  -4.068  -5.095 -10.343
  365   2HG2  VAL  43          2HG2      VAL  43  -4.067  -3.696 -11.416
  366   3HG2  VAL  43          3HG2      VAL  43  -5.577  -4.536 -11.066
  367    H    LEU  44           H        LEU  44  -2.146  -1.338  -7.771
  368    HA   LEU  44           HA       LEU  44  -3.728  -0.902  -5.291
  369   1HB   LEU  44          2HB       LEU  44  -0.944  -0.146  -6.158
  370   2HB   LEU  44          1HB       LEU  44  -1.709   0.643  -4.778
  371    HG   LEU  44           HG       LEU  44  -1.821  -2.340  -4.906
  372   1HD1  LEU  44          1HD1      LEU  44   0.636  -0.995  -5.187
  373   2HD1  LEU  44          2HD1      LEU  44   0.395  -2.686  -4.746
  374   3HD1  LEU  44          3HD1      LEU  44   0.546  -1.462  -3.489
  375   1HD2  LEU  44          1HD2      LEU  44  -1.736  -2.107  -2.492
  376   2HD2  LEU  44          2HD2      LEU  44  -2.903  -0.939  -3.114
  377   3HD2  LEU  44          3HD2      LEU  44  -1.294  -0.405  -2.628
  378    H    GLN  45           H        GLN  45  -4.966   0.908  -5.016
  379    HA   GLN  45           HA       GLN  45  -4.681   3.093  -7.036
  380   1HB   GLN  45          2HB       GLN  45  -7.324   2.410  -5.768
  381   2HB   GLN  45          1HB       GLN  45  -7.012   3.277  -7.271
  382   1HG   GLN  45          2HG       GLN  45  -5.854   0.897  -7.864
  383   2HG   GLN  45          1HG       GLN  45  -7.113   0.351  -6.755
  384   1HE2  GLN  45          1HE2      GLN  45  -9.405   1.172  -7.299
  385   2HE2  GLN  45          2HE2      GLN  45  -9.798   1.371  -8.939
  386    H    LYS  46           H        LYS  46  -4.143   4.991  -6.068
  387    HA   LYS  46           HA       LYS  46  -4.633   5.292  -3.149
  388   1HB   LYS  46          2HB       LYS  46  -2.384   5.774  -4.529
  389   2HB   LYS  46          1HB       LYS  46  -3.144   7.353  -4.716
  390   1HG   LYS  46          2HG       LYS  46  -3.553   7.220  -2.153
  391   2HG   LYS  46          1HG       LYS  46  -2.329   5.949  -2.172
  392   1HD   LYS  46          2HD       LYS  46  -1.124   7.953  -1.742
  393   2HD   LYS  46          1HD       LYS  46  -0.853   7.618  -3.454
  394   1HE   LYS  46          2HE       LYS  46  -1.556   9.756  -3.775
  395   2HE   LYS  46          1HE       LYS  46  -3.172   9.091  -3.533
  396   1HZ   LYS  46          1HZ       LYS  46  -3.158   9.713  -1.285
  397   2HZ   LYS  46          2HZ       LYS  46  -2.552  11.066  -2.120
  398   3HZ   LYS  46          3HZ       LYS  46  -1.491  10.033  -1.285
  399    H    GLY  47           H        GLY  47  -6.838   5.852  -3.116
  400   1HA   GLY  47          2HA       GLY  47  -8.654   7.334  -3.142
  401   2HA   GLY  47          1HA       GLY  47  -7.495   8.617  -3.480
  402    H    GLY  48           H        GLY  48  -8.427   5.722  -5.373
  403   1HA   GLY  48          2HA       GLY  48  -9.419   5.560  -7.503
  404   2HA   GLY  48          1HA       GLY  48  -9.856   7.264  -7.377
  405    H    SER  49           H        SER  49  -6.634   5.726  -7.255
  406    HA   SER  49           HA       SER  49  -5.933   7.036  -9.833
  407   1HB   SER  49          2HB       SER  49  -5.285   8.477  -7.783
  408   2HB   SER  49          1HB       SER  49  -4.092   7.226  -7.441
  409    HG   SER  49           HG       SER  49  -3.761   9.218  -9.026
  410    H    VAL  50           H        VAL  50  -4.953   5.517 -11.094
  411    HA   VAL  50           HA       VAL  50  -4.146   2.966  -9.925
  412    HB   VAL  50           HB       VAL  50  -3.536   2.349 -12.263
  413   1HG1  VAL  50          1HG1      VAL  50  -5.856   2.108 -11.397
  414   2HG1  VAL  50          2HG1      VAL  50  -5.814   2.409 -13.133
  415   3HG1  VAL  50          3HG1      VAL  50  -6.232   3.714 -12.023
  416   1HG2  VAL  50          1HG2      VAL  50  -2.828   4.171 -13.470
  417   2HG2  VAL  50          2HG2      VAL  50  -3.897   5.285 -12.619
  418   3HG2  VAL  50          3HG2      VAL  50  -4.534   4.257 -13.903
  419    H    LEU  51           H        LEU  51  -2.195   2.527  -9.119
  420    HA   LEU  51           HA       LEU  51   0.062   4.378  -9.656
  421   1HB   LEU  51          2HB       LEU  51   0.067   2.046  -7.728
  422   2HB   LEU  51          1HB       LEU  51   1.086   3.483  -7.701
  423    HG   LEU  51           HG       LEU  51  -1.917   3.495  -7.276
  424   1HD1  LEU  51          1HD1      LEU  51  -0.936   2.434  -5.372
  425   2HD1  LEU  51          2HD1      LEU  51  -1.201   4.114  -4.907
  426   3HD1  LEU  51          3HD1      LEU  51   0.417   3.567  -5.352
  427   1HD2  LEU  51          1HD2      LEU  51  -0.032   5.718  -6.549
  428   2HD2  LEU  51          2HD2      LEU  51  -1.748   5.798  -6.948
  429   3HD2  LEU  51          3HD2      LEU  51  -0.558   5.554  -8.226
  430    H    LYS  52           H        LYS  52   1.624   3.817 -11.086
  431    HA   LYS  52           HA       LYS  52   1.748   0.977 -12.000
  432   1HB   LYS  52          2HB       LYS  52   1.914   3.554 -13.352
  433   2HB   LYS  52          1HB       LYS  52   3.301   2.532 -13.730
  434   1HG   LYS  52          2HG       LYS  52   1.822   1.745 -15.315
  435   2HG   LYS  52          1HG       LYS  52   1.398   0.675 -13.979
  436   1HD   LYS  52          2HD       LYS  52  -0.720   1.434 -14.293
  437   2HD   LYS  52          1HD       LYS  52  -0.163   2.883 -13.457
  438   1HE   LYS  52          2HE       LYS  52   0.660   3.085 -16.185
  439   2HE   LYS  52          1HE       LYS  52  -1.042   2.629 -16.174
  440   1HZ   LYS  52          1HZ       LYS  52  -0.572   4.606 -14.212
  441   2HZ   LYS  52          2HZ       LYS  52  -1.585   4.673 -15.575
  442   3HZ   LYS  52          3HZ       LYS  52   0.044   5.138 -15.700
  443    H    ASP  53           H        ASP  53   3.704  -0.123 -11.965
  444    HA   ASP  53           HA       ASP  53   5.629   0.540  -9.978
  445   1HB   ASP  53          2HB       ASP  53   6.252  -1.207 -12.365
  446   2HB   ASP  53          1HB       ASP  53   6.863  -1.350 -10.719
  447    H    HIS  54           H        HIS  54   5.448   1.410 -13.378
  448    HA   HIS  54           HA       HIS  54   8.184   2.202 -13.749
  449   1HB   HIS  54          2HB       HIS  54   5.614   2.562 -15.168
  450   2HB   HIS  54          1HB       HIS  54   6.799   3.840 -15.444
  451    HD1  HIS  54           HD1      HIS  54   9.077   3.148 -16.536
  452    HD2  HIS  54           HD2      HIS  54   6.312   0.043 -16.259
  453    HE1  HIS  54           HE1      HIS  54   9.950   1.281 -18.005
  454    H    ILE  55           H        ILE  55   5.497   3.759 -12.134
  455    HA   ILE  55           HA       ILE  55   6.987   6.340 -12.059
  456    HB   ILE  55           HB       ILE  55   4.126   5.644 -11.318
  457   1HG1  ILE  55          2HG1      ILE  55   4.074   7.595 -13.247
  458   2HG1  ILE  55          1HG1      ILE  55   5.501   6.676 -13.723
  459   1HG2  ILE  55          1HG2      ILE  55   3.907   8.170 -11.140
  460   2HG2  ILE  55          2HG2      ILE  55   5.669   8.246 -11.143
  461   3HG2  ILE  55          3HG2      ILE  55   4.825   7.409  -9.840
  462   1HD1  ILE  55          1HD1      ILE  55   3.283   4.936 -12.961
  463   2HD1  ILE  55          2HD1      ILE  55   4.255   4.932 -14.431
  464   3HD1  ILE  55          3HD1      ILE  55   2.862   6.005 -14.298
  465    H    SER  56           H        SER  56   7.344   7.383  -9.993
  466    HA   SER  56           HA       SER  56   7.859   5.434  -7.841
  467   1HB   SER  56          2HB       SER  56   9.401   7.428  -8.717
  468   2HB   SER  56          1HB       SER  56   8.482   8.336  -7.520
  469    HG   SER  56           HG       SER  56  10.519   7.079  -6.913
  470    H    LEU  57           H        LEU  57   7.197   5.861  -5.625
  471    HA   LEU  57           HA       LEU  57   4.433   6.504  -5.329
  472   1HB   LEU  57          2HB       LEU  57   6.650   6.406  -3.260
  473   2HB   LEU  57          1HB       LEU  57   4.934   6.508  -2.871
  474    HG   LEU  57           HG       LEU  57   5.971   4.320  -4.670
  475   1HD1  LEU  57          1HD1      LEU  57   5.700   4.084  -1.665
  476   2HD1  LEU  57          2HD1      LEU  57   7.242   4.404  -2.457
  477   3HD1  LEU  57          3HD1      LEU  57   6.378   2.904  -2.786
  478   1HD2  LEU  57          1HD2      LEU  57   3.634   4.323  -4.692
  479   2HD2  LEU  57          2HD2      LEU  57   3.519   4.881  -3.023
  480   3HD2  LEU  57          3HD2      LEU  57   3.965   3.209  -3.365
  481    H    GLU  58           H        GLU  58   7.371   8.444  -4.813
  482    HA   GLU  58           HA       GLU  58   6.172  10.731  -3.621
  483   1HB   GLU  58          2HB       GLU  58   8.728  10.024  -4.422
  484   2HB   GLU  58          1HB       GLU  58   8.331  11.351  -5.512
  485   1HG   GLU  58          2HG       GLU  58   8.345  12.896  -3.841
  486   2HG   GLU  58          1HG       GLU  58   7.555  11.808  -2.701
  487    H    ASP  59           H        ASP  59   6.408   9.730  -7.014
  488    HA   ASP  59           HA       ASP  59   5.554  12.202  -8.197
  489   1HB   ASP  59          2HB       ASP  59   6.549  10.086  -9.333
  490   2HB   ASP  59          1HB       ASP  59   4.892   9.484  -9.330
  491    H    TYR  60           H        TYR  60   3.750   9.308  -7.128
  492    HA   TYR  60           HA       TYR  60   1.149  10.407  -7.821
  493   1HB   TYR  60          2HB       TYR  60   2.036   8.074  -6.109
  494   2HB   TYR  60          1HB       TYR  60   0.338   8.500  -6.314
  495    HD1  TYR  60           HD1      TYR  60  -0.416   8.880  -8.842
  496    HD2  TYR  60           HD2      TYR  60   2.995   6.576  -7.613
  497    HE1  TYR  60           HE1      TYR  60  -0.460   7.665 -11.001
  498    HE2  TYR  60           HE2      TYR  60   2.952   5.361  -9.774
  499    HH   TYR  60           HH       TYR  60   0.671   6.245 -12.345
  500    H    GLU  61           H        GLU  61   3.320  10.849  -5.177
  501    HA   GLU  61           HA       GLU  61   3.174  12.218  -3.294
  502   1HB   GLU  61          2HB       GLU  61   1.444  13.434  -4.980
  503   2HB   GLU  61          1HB       GLU  61   0.314  12.929  -3.724
  504   1HG   GLU  61          2HG       GLU  61   2.899  14.350  -3.062
  505   2HG   GLU  61          1HG       GLU  61   1.420  15.236  -3.430
  506    H    VAL  62           H        VAL  62   3.178   9.883  -2.470
  507    HA   VAL  62           HA       VAL  62   0.624   9.011  -1.258
  508    HB   VAL  62           HB       VAL  62   3.400   7.776  -1.244
  509   1HG1  VAL  62          1HG1      VAL  62   2.232   5.768  -0.343
  510   2HG1  VAL  62          2HG1      VAL  62   0.754   6.719  -0.197
  511   3HG1  VAL  62          3HG1      VAL  62   2.168   7.132   0.773
  512   1HG2  VAL  62          1HG2      VAL  62   2.726   6.504  -3.040
  513   2HG2  VAL  62          2HG2      VAL  62   1.719   7.919  -3.346
  514   3HG2  VAL  62          3HG2      VAL  62   1.034   6.506  -2.542
  515    H    HIS  63           H        HIS  63   0.073   9.636   0.759
  516    HA   HIS  63           HA       HIS  63   2.142  10.887   2.490
  517   1HB   HIS  63          2HB       HIS  63  -0.423  11.669   1.865
  518   2HB   HIS  63          1HB       HIS  63  -0.648  10.893   3.432
  519    HD1  HIS  63           HD1      HIS  63   1.549  13.546   1.807
  520    HD2  HIS  63           HD2      HIS  63   0.163  12.452   5.581
  521    HE1  HIS  63           HE1      HIS  63   2.314  15.357   3.402
  522    H    ASP  64           H        ASP  64   2.057  10.373   4.848
  523    HA   ASP  64           HA       ASP  64   2.129   7.519   5.299
  524   1HB   ASP  64          2HB       ASP  64   2.614   8.099   7.637
  525   2HB   ASP  64          1HB       ASP  64   3.575   9.100   6.551
  526    H    GLN  65           H        GLN  65   0.661   6.210   6.414
  527    HA   GLN  65           HA       GLN  65  -1.434   5.476   7.154
  528   1HB   GLN  65          2HB       GLN  65  -1.217   8.252   8.256
  529   2HB   GLN  65          1HB       GLN  65  -2.788   7.455   8.330
  530   1HG   GLN  65          2HG       GLN  65  -1.860   6.725  10.326
  531   2HG   GLN  65          1HG       GLN  65  -1.354   5.424   9.248
  532   1HE2  GLN  65          1HE2      GLN  65   0.914   5.257   8.720
  533   2HE2  GLN  65          2HE2      GLN  65   2.092   6.225   9.464
  534    H    THR  66           H        THR  66  -1.154   6.465   4.407
  535    HA   THR  66           HA       THR  66  -3.656   7.897   3.814
  536    HB   THR  66           HB       THR  66  -1.541   8.269   2.498
  537    HG1  THR  66           HG1      THR  66  -3.017   8.905   1.170
  538   1HG2  THR  66          1HG2      THR  66  -1.097   6.517   0.707
  539   2HG2  THR  66          2HG2      THR  66  -2.116   5.425   1.644
  540   3HG2  THR  66          3HG2      THR  66  -0.630   6.064   2.345
  541    H    ASN  67           H        ASN  67  -5.253   6.941   2.271
  542    HA   ASN  67           HA       ASN  67  -5.698   4.074   2.927
  543   1HB   ASN  67          2HB       ASN  67  -7.470   5.911   3.295
  544   2HB   ASN  67          1HB       ASN  67  -7.658   5.907   1.541
  545   1HD2  ASN  67          1HD2      ASN  67  -7.908   3.799   4.430
  546   2HD2  ASN  67          2HD2      ASN  67  -8.956   2.673   3.712
  547    H    LEU  68           H        LEU  68  -5.130   2.605   1.441
  548    HA   LEU  68           HA       LEU  68  -5.105   3.399  -1.446
  549   1HB   LEU  68          2HB       LEU  68  -3.228   1.800   0.228
  550   2HB   LEU  68          1HB       LEU  68  -3.502   1.233  -1.419
  551    HG   LEU  68           HG       LEU  68  -3.101   4.140  -1.231
  552   1HD1  LEU  68          1HD1      LEU  68  -1.566   3.015   0.573
  553   2HD1  LEU  68          2HD1      LEU  68  -0.864   4.182  -0.548
  554   3HD1  LEU  68          3HD1      LEU  68  -0.645   2.453  -0.822
  555   1HD2  LEU  68          1HD2      LEU  68  -3.009   3.319  -3.403
  556   2HD2  LEU  68          2HD2      LEU  68  -2.233   1.814  -2.913
  557   3HD2  LEU  68          3HD2      LEU  68  -1.294   3.304  -2.991
  558    H    GLU  69           H        GLU  69  -5.907   1.862  -2.949
  559    HA   GLU  69           HA       GLU  69  -7.728  -0.179  -1.752
  560   1HB   GLU  69          2HB       GLU  69  -7.761   1.280  -4.406
  561   2HB   GLU  69          1HB       GLU  69  -8.811  -0.093  -4.056
  562   1HG   GLU  69          2HG       GLU  69 -10.219   1.575  -3.339
  563   2HG   GLU  69          1HG       GLU  69  -9.294   1.375  -1.850
  564    H    LEU  70           H        LEU  70  -7.591  -2.327  -2.438
  565    HA   LEU  70           HA       LEU  70  -5.307  -2.984  -4.251
  566   1HB   LEU  70          2HB       LEU  70  -4.911  -3.608  -1.864
  567   2HB   LEU  70          1HB       LEU  70  -6.343  -4.631  -1.922
  568    HG   LEU  70           HG       LEU  70  -5.330  -5.994  -3.693
  569   1HD1  LEU  70          1HD1      LEU  70  -2.616  -5.011  -3.526
  570   2HD1  LEU  70          2HD1      LEU  70  -3.688  -3.718  -4.063
  571   3HD1  LEU  70          3HD1      LEU  70  -3.623  -5.239  -4.956
  572   1HD2  LEU  70          1HD2      LEU  70  -3.021  -5.970  -1.897
  573   2HD2  LEU  70          2HD2      LEU  70  -4.233  -7.225  -2.144
  574   3HD2  LEU  70          3HD2      LEU  70  -4.551  -5.902  -1.023
  575    H    TYR  71           H        TYR  71  -5.823  -4.185  -6.001
  576    HA   TYR  71           HA       TYR  71  -8.373  -5.733  -5.994
  577   1HB   TYR  71          2HB       TYR  71  -7.492  -3.609  -7.946
  578   2HB   TYR  71          1HB       TYR  71  -8.599  -4.888  -8.441
  579    HD1  TYR  71           HD1      TYR  71 -10.766  -5.209  -7.161
  580    HD2  TYR  71           HD2      TYR  71  -8.240  -1.774  -6.630
  581    HE1  TYR  71           HE1      TYR  71 -12.649  -3.987  -6.105
  582    HE2  TYR  71           HE2      TYR  71 -10.123  -0.553  -5.575
  583    HH   TYR  71           HH       TYR  71 -13.041  -1.059  -5.875
  584    H    TYR  72           H        TYR  72  -8.260  -7.648  -7.215
  585    HA   TYR  72           HA       TYR  72  -5.526  -8.339  -8.194
  586   1HB   TYR  72          2HB       TYR  72  -7.826 -10.180  -7.469
  587   2HB   TYR  72          1HB       TYR  72  -6.189 -10.679  -7.896
  588    HD1  TYR  72           HD1      TYR  72  -4.468  -8.816  -6.485
  589    HD2  TYR  72           HD2      TYR  72  -8.149 -10.616  -5.194
  590    HE1  TYR  72           HE1      TYR  72  -3.777  -8.533  -4.120
  591    HE2  TYR  72           HE2      TYR  72  -7.457 -10.335  -2.831
  592    HH   TYR  72           HH       TYR  72  -4.568  -9.959  -1.791
  593    H    LEU  73           HN       LEU  73  -5.210  -8.536 -10.334
  594    HA   LEU  73           HA       LEU  73  -7.606  -8.758 -12.106
  595   1HB   LEU  73          2HB       LEU  73  -5.951  -6.765 -12.267
  596   2HB   LEU  73          1HB       LEU  73  -4.853  -7.924 -13.017
  597    HG   LEU  73           HG       LEU  73  -7.438  -8.248 -14.205
  598   1HD1  LEU  73          1HD1      LEU  73  -7.907  -5.956 -13.454
  599   2HD1  LEU  73          2HD1      LEU  73  -7.713  -6.000 -15.205
  600   3HD1  LEU  73          3HD1      LEU  73  -6.405  -5.395 -14.189
  601   1HD2  LEU  73          1HD2      LEU  73  -5.054  -6.896 -15.476
  602   2HD2  LEU  73          2HD2      LEU  73  -6.218  -7.996 -16.214
  603   3HD2  LEU  73          3HD2      LEU  73  -5.020  -8.615 -15.079
  Start of MODEL    7
    1    H    MET   1           1H       MET   1  11.516   5.659   5.944
    2    HA   MET   1           HA       MET   1   9.498   4.901   4.870
    3   1HB   MET   1          2HB       MET   1  10.545   3.710   7.381
    4   2HB   MET   1          1HB       MET   1   9.007   3.070   6.806
    5   1HG   MET   1          2HG       MET   1  10.045   2.721   4.558
    6   2HG   MET   1          1HG       MET   1  11.592   3.228   5.234
    7   1HE   MET   1          1HE       MET   1  11.323   0.995   3.719
    8   2HE   MET   1          2HE       MET   1  11.241  -0.618   4.423
    9   3HE   MET   1          3HE       MET   1  12.693   0.357   4.637
   10    H    ILE   2           H        ILE   2   7.246   4.759   4.869
   11    HA   ILE   2           HA       ILE   2   5.853   6.001   7.210
   12    HB   ILE   2           HB       ILE   2   4.182   6.885   5.622
   13   1HG1  ILE   2          2HG1      ILE   2   6.025   6.209   3.343
   14   2HG1  ILE   2          1HG1      ILE   2   4.863   5.004   3.894
   15   1HG2  ILE   2          1HG2      ILE   2   6.145   8.257   6.268
   16   2HG2  ILE   2          2HG2      ILE   2   5.601   8.628   4.633
   17   3HG2  ILE   2          3HG2      ILE   2   7.029   7.624   4.880
   18   1HD1  ILE   2          1HD1      ILE   2   4.369   7.163   2.152
   19   2HD1  ILE   2          2HD1      ILE   2   3.587   7.591   3.674
   20   3HD1  ILE   2          3HD1      ILE   2   3.175   6.080   2.865
   21    H    GLU   3           H        GLU   3   3.624   5.258   7.523
   22    HA   GLU   3           HA       GLU   3   3.336   2.388   6.771
   23   1HB   GLU   3          2HB       GLU   3   3.081   3.646   9.216
   24   2HB   GLU   3          1HB       GLU   3   1.405   3.514   8.685
   25   1HG   GLU   3          2HG       GLU   3   3.277   1.154   8.521
   26   2HG   GLU   3          1HG       GLU   3   2.408   1.525  10.009
   27    H    VAL   4           H        VAL   4   1.678   1.755   5.440
   28    HA   VAL   4           HA       VAL   4  -0.493   3.719   4.852
   29    HB   VAL   4           HB       VAL   4  -0.327   2.818   2.417
   30   1HG1  VAL   4          1HG1      VAL   4   0.319   4.958   2.201
   31   2HG1  VAL   4          2HG1      VAL   4   1.984   4.431   2.442
   32   3HG1  VAL   4          3HG1      VAL   4   1.020   4.962   3.818
   33   1HG2  VAL   4          1HG2      VAL   4   1.339   1.372   1.974
   34   2HG2  VAL   4          2HG2      VAL   4   1.876   1.457   3.644
   35   3HG2  VAL   4          3HG2      VAL   4   2.519   2.588   2.457
   36    H    VAL   5           H        VAL   5  -2.507   2.778   4.354
   37    HA   VAL   5           HA       VAL   5  -2.663  -0.167   4.873
   38    HB   VAL   5           HB       VAL   5  -5.008   0.291   5.634
   39   1HG1  VAL   5          1HG1      VAL   5  -2.673   0.536   7.016
   40   2HG1  VAL   5          2HG1      VAL   5  -4.267   0.650   7.761
   41   3HG1  VAL   5          3HG1      VAL   5  -3.394   2.117   7.317
   42   1HG2  VAL   5          1HG2      VAL   5  -4.130   3.187   5.344
   43   2HG2  VAL   5          2HG2      VAL   5  -5.612   2.652   6.133
   44   3HG2  VAL   5          3HG2      VAL   5  -5.390   2.390   4.404
   45    H    VAL   6           H        VAL   6  -3.597  -1.438   3.316
   46    HA   VAL   6           HA       VAL   6  -4.812  -0.030   0.969
   47    HB   VAL   6           HB       VAL   6  -4.105  -2.039  -0.358
   48   1HG1  VAL   6          1HG1      VAL   6  -2.255  -0.141   0.992
   49   2HG1  VAL   6          2HG1      VAL   6  -2.573  -0.372  -0.725
   50   3HG1  VAL   6          3HG1      VAL   6  -1.512  -1.489   0.132
   51   1HG2  VAL   6          1HG2      VAL   6  -3.965  -3.575   1.643
   52   2HG2  VAL   6          2HG2      VAL   6  -2.494  -2.730   2.119
   53   3HG2  VAL   6          3HG2      VAL   6  -2.544  -3.625   0.603
   54    H    ASN   7           H        ASN   7  -6.840  -0.677   0.295
   55    HA   ASN   7           HA       ASN   7  -8.218  -2.677   2.018
   56   1HB   ASN   7          2HB       ASN   7  -9.100  -0.307   0.419
   57   2HB   ASN   7          1HB       ASN   7 -10.250  -1.623   0.658
   58   1HD2  ASN   7          1HD2      ASN   7  -8.157   0.674   2.459
   59   2HD2  ASN   7          2HD2      ASN   7  -9.064   0.612   3.894
   60    H    ASP   8           H        ASP   8  -8.168  -4.691   1.184
   61    HA   ASP   8           HA       ASP   8  -7.749  -5.331  -1.585
   62   1HB   ASP   8          2HB       ASP   8  -8.784  -6.961   0.750
   63   2HB   ASP   8          1HB       ASP   8  -8.515  -7.646  -0.851
   64    H    ARG   9           H        ARG   9  -9.284  -6.339  -3.058
   65    HA   ARG   9           HA       ARG   9 -11.828  -4.979  -3.158
   66   1HB   ARG   9          2HB       ARG   9 -10.276  -6.103  -5.043
   67   2HB   ARG   9          1HB       ARG   9 -11.412  -7.429  -4.796
   68   1HG   ARG   9          2HG       ARG   9 -12.916  -5.003  -4.870
   69   2HG   ARG   9          1HG       ARG   9 -11.822  -5.003  -6.254
   70   1HD   ARG   9          2HD       ARG   9 -12.863  -7.634  -6.041
   71   2HD   ARG   9          1HD       ARG   9 -14.228  -6.529  -5.873
   72    HE   ARG   9           HE       ARG   9 -13.621  -5.566  -8.064
   73   1HH1  ARG   9          2HH1      ARG   9 -14.028  -8.577  -8.413
   74   2HH1  ARG   9          1HH1      ARG   9 -12.675  -8.979  -9.419
   75   1HH2  ARG   9          1HH2      ARG   9 -10.986  -6.009  -8.785
   76   2HH2  ARG   9          2HH2      ARG   9 -10.949  -7.520  -9.629
   77    H    LEU  10           H        LEU  10 -10.833  -8.190  -2.039
   78    HA   LEU  10           HA       LEU  10 -13.445  -9.378  -1.938
   79   1HB   LEU  10          2HB       LEU  10 -10.804  -9.921  -0.629
   80   2HB   LEU  10          1HB       LEU  10 -12.239 -10.717   0.017
   81    HG   LEU  10           HG       LEU  10 -12.250 -10.857  -2.871
   82   1HD1  LEU  10          1HD1      LEU  10  -9.765 -10.670  -2.520
   83   2HD1  LEU  10          2HD1      LEU  10 -10.269 -12.201  -3.236
   84   3HD1  LEU  10          3HD1      LEU  10  -9.848 -12.126  -1.525
   85   1HD2  LEU  10          1HD2      LEU  10 -13.539 -12.369  -1.503
   86   2HD2  LEU  10          2HD2      LEU  10 -12.104 -12.873  -0.610
   87   3HD2  LEU  10          3HD2      LEU  10 -12.297 -13.329  -2.303
   88    H    GLY  11           H        GLY  11 -11.548  -7.619   0.527
   89   1HA   GLY  11          2HA       GLY  11 -13.169  -6.004   1.810
   90   2HA   GLY  11          1HA       GLY  11 -13.965  -7.509   2.273
   91    H    LYS  12           H        LYS  12 -10.554  -6.464   2.044
   92    HA   LYS  12           HA       LYS  12 -10.185  -6.924   4.942
   93   1HB   LYS  12          2HB       LYS  12  -9.640  -8.975   3.122
   94   2HB   LYS  12          1HB       LYS  12  -8.064  -8.237   3.415
   95   1HG   LYS  12          2HG       LYS  12  -8.712  -8.335   5.922
   96   2HG   LYS  12          1HG       LYS  12  -9.955  -9.479   5.413
   97   1HD   LYS  12          2HD       LYS  12  -8.420 -11.123   5.347
   98   2HD   LYS  12          1HD       LYS  12  -7.500 -10.219   4.143
   99   1HE   LYS  12          2HE       LYS  12  -7.248  -9.240   6.928
  100   2HE   LYS  12          1HE       LYS  12  -6.536 -10.823   6.618
  101   1HZ   LYS  12          1HZ       LYS  12  -4.863  -9.275   6.137
  102   2HZ   LYS  12          2HZ       LYS  12  -5.921  -8.244   5.300
  103   3HZ   LYS  12          3HZ       LYS  12  -5.462  -9.732   4.618
  104    H    LYS  13           H        LYS  13  -8.187  -5.907   5.715
  105    HA   LYS  13           HA       LYS  13  -6.939  -4.100   3.679
  106   1HB   LYS  13          2HB       LYS  13  -6.743  -2.370   5.358
  107   2HB   LYS  13          1HB       LYS  13  -8.421  -2.905   5.306
  108   1HG   LYS  13          2HG       LYS  13  -7.606  -4.583   7.186
  109   2HG   LYS  13          1HG       LYS  13  -6.346  -3.370   7.415
  110   1HD   LYS  13          2HD       LYS  13  -7.801  -1.821   8.248
  111   2HD   LYS  13          1HD       LYS  13  -9.095  -2.303   7.151
  112   1HE   LYS  13          2HE       LYS  13  -9.730  -4.133   8.520
  113   2HE   LYS  13          1HE       LYS  13  -8.226  -4.072   9.439
  114   1HZ   LYS  13          1HZ       LYS  13 -10.347  -1.994   9.443
  115   2HZ   LYS  13          2HZ       LYS  13  -8.891  -1.920  10.315
  116   3HZ   LYS  13          3HZ       LYS  13 -10.049  -3.105  10.689
  117    H    VAL  14           H        VAL  14  -4.707  -3.765   3.813
  118    HA   VAL  14           HA       VAL  14  -3.233  -5.529   5.733
  119    HB   VAL  14           HB       VAL  14  -2.355  -4.870   2.904
  120   1HG1  VAL  14          1HG1      VAL  14  -1.386  -6.740   5.072
  121   2HG1  VAL  14          2HG1      VAL  14  -0.471  -5.510   4.201
  122   3HG1  VAL  14          3HG1      VAL  14  -0.964  -6.988   3.378
  123   1HG2  VAL  14          1HG2      VAL  14  -3.115  -7.110   2.285
  124   2HG2  VAL  14          2HG2      VAL  14  -4.474  -6.198   2.940
  125   3HG2  VAL  14          3HG2      VAL  14  -3.664  -7.407   3.934
  126    H    ARG  15           H        ARG  15  -1.359  -4.658   6.639
  127    HA   ARG  15           HA       ARG  15  -0.972  -1.727   6.215
  128   1HB   ARG  15          2HB       ARG  15  -0.649  -3.549   8.582
  129   2HB   ARG  15          1HB       ARG  15   0.337  -2.091   8.486
  130   1HG   ARG  15          2HG       ARG  15  -1.601  -1.396   9.654
  131   2HG   ARG  15          1HG       ARG  15  -1.875  -0.847   8.001
  132   1HD   ARG  15          2HD       ARG  15  -3.774  -2.053   7.928
  133   2HD   ARG  15          1HD       ARG  15  -2.835  -3.526   8.172
  134    HE   ARG  15           HE       ARG  15  -3.137  -3.174  10.633
  135   1HH1  ARG  15          2HH1      ARG  15  -4.031  -0.343  10.640
  136   2HH1  ARG  15          1HH1      ARG  15  -5.751  -0.484  10.803
  137   1HH2  ARG  15          1HH2      ARG  15  -5.829  -3.835   9.874
  138   2HH2  ARG  15          2HH2      ARG  15  -6.771  -2.468  10.367
  139    H    VAL  16           H        VAL  16   0.827  -1.179   5.107
  140    HA   VAL  16           HA       VAL  16   3.206  -2.980   5.249
  141    HB   VAL  16           HB       VAL  16   1.980  -3.305   3.114
  142   1HG1  VAL  16          1HG1      VAL  16   0.997  -1.032   2.979
  143   2HG1  VAL  16          2HG1      VAL  16   1.838  -1.472   1.494
  144   3HG1  VAL  16          3HG1      VAL  16   2.597  -0.372   2.644
  145   1HG2  VAL  16          1HG2      VAL  16   3.889  -3.114   1.678
  146   2HG2  VAL  16          2HG2      VAL  16   4.523  -3.398   3.297
  147   3HG2  VAL  16          3HG2      VAL  16   4.547  -1.772   2.615
  148    H    LYS  17           H        LYS  17   5.179  -1.917   5.414
  149    HA   LYS  17           HA       LYS  17   5.032   1.057   5.659
  150   1HB   LYS  17          2HB       LYS  17   5.711  -0.373   7.667
  151   2HB   LYS  17          1HB       LYS  17   7.193  -0.734   6.785
  152   1HG   LYS  17          2HG       LYS  17   8.005   1.415   6.987
  153   2HG   LYS  17          1HG       LYS  17   6.394   2.130   6.996
  154   1HD   LYS  17          2HD       LYS  17   6.066   1.097   9.292
  155   2HD   LYS  17          1HD       LYS  17   7.783   0.701   9.273
  156   1HE   LYS  17          2HE       LYS  17   8.345   2.819   9.811
  157   2HE   LYS  17          1HE       LYS  17   7.369   3.461   8.493
  158   1HZ   LYS  17          1HZ       LYS  17   5.395   3.045   9.994
  159   2HZ   LYS  17          2HZ       LYS  17   6.437   4.311  10.452
  160   3HZ   LYS  17          3HZ       LYS  17   6.511   2.814  11.250
  161    H    CYS  18           H        CYS  18   6.081   2.227   4.127
  162    HA   CYS  18           HA       CYS  18   8.543   1.187   2.868
  163   1HB   CYS  18          2HB       CYS  18   5.954   1.097   1.552
  164   2HB   CYS  18          1HB       CYS  18   7.070   2.139   0.671
  165    HG   CYS  18           HG       CYS  18   7.188  -0.693   0.323
  166    H    LEU  19           H        LEU  19   9.731   2.872   1.755
  167    HA   LEU  19           HA       LEU  19   9.279   5.531   2.891
  168   1HB   LEU  19          2HB       LEU  19  11.473   4.100   1.683
  169   2HB   LEU  19          1HB       LEU  19  11.268   5.648   0.865
  170    HG   LEU  19           HG       LEU  19  11.123   5.654   3.845
  171   1HD1  LEU  19          1HD1      LEU  19  13.055   4.316   3.721
  172   2HD1  LEU  19          2HD1      LEU  19  13.709   5.952   3.751
  173   3HD1  LEU  19          3HD1      LEU  19  13.598   5.074   2.226
  174   1HD2  LEU  19          1HD2      LEU  19  11.487   7.505   1.651
  175   2HD2  LEU  19          2HD2      LEU  19  12.835   7.640   2.780
  176   3HD2  LEU  19          3HD2      LEU  19  11.181   7.856   3.352
  177    H    ALA  20           H        ALA  20   8.831   7.438   1.667
  178    HA   ALA  20           HA       ALA  20   6.957   7.104  -0.495
  179   1HB   ALA  20          1HB       ALA  20   7.657   9.735  -0.659
  180   2HB   ALA  20          2HB       ALA  20   8.159   9.364   0.989
  181   3HB   ALA  20          3HB       ALA  20   6.487   9.101   0.499
  182    H    GLU  21           H        GLU  21  10.415   7.346  -0.417
  183    HA   GLU  21           HA       GLU  21  10.721   8.316  -3.154
  184   1HB   GLU  21          2HB       GLU  21  13.113   7.785  -2.820
  185   2HB   GLU  21          1HB       GLU  21  12.476   8.730  -1.474
  186   1HG   GLU  21          2HG       GLU  21  13.343   7.112  -0.143
  187   2HG   GLU  21          1HG       GLU  21  11.980   6.128  -0.669
  188    H    ASP  22           H        ASP  22  10.051   5.259  -1.702
  189    HA   ASP  22           HA       ASP  22  11.316   3.557  -3.644
  190   1HB   ASP  22          2HB       ASP  22   9.122   3.187  -1.620
  191   2HB   ASP  22          1HB       ASP  22   9.450   1.920  -2.801
  192    H    SER  23           H        SER  23  10.419   2.553  -5.484
  193    HA   SER  23           HA       SER  23   8.400   4.119  -6.894
  194   1HB   SER  23          2HB       SER  23   8.814   2.549  -8.750
  195   2HB   SER  23          1HB       SER  23  10.331   3.151  -8.089
  196    HG   SER  23           HG       SER  23  10.300   0.858  -8.397
  197    H    VAL  24           H        VAL  24   6.496   3.013  -7.946
  198    HA   VAL  24           HA       VAL  24   4.811   1.763  -6.002
  199    HB   VAL  24           HB       VAL  24   4.590   1.871  -9.025
  200   1HG1  VAL  24          1HG1      VAL  24   3.035   0.410  -7.054
  201   2HG1  VAL  24          2HG1      VAL  24   2.898   0.395  -8.813
  202   3HG1  VAL  24          3HG1      VAL  24   2.041   1.614  -7.872
  203   1HG2  VAL  24          1HG2      VAL  24   2.746   3.407  -7.313
  204   2HG2  VAL  24          2HG2      VAL  24   3.630   3.914  -8.752
  205   3HG2  VAL  24          3HG2      VAL  24   4.431   3.908  -7.182
  206    H    GLY  25           H        GLY  25   6.874   0.430  -8.571
  207   1HA   GLY  25          2HA       GLY  25   5.984  -2.274  -8.484
  208   2HA   GLY  25          1HA       GLY  25   7.612  -1.772  -8.942
  209    H    ASP  26           H        ASP  26   8.526  -0.606  -6.601
  210    HA   ASP  26           HA       ASP  26   9.264  -2.876  -4.997
  211   1HB   ASP  26          2HB       ASP  26  10.593  -0.732  -5.242
  212   2HB   ASP  26          1HB       ASP  26   9.408   0.047  -4.196
  213    H    PHE  27           H        PHE  27   6.888  -0.267  -4.573
  214    HA   PHE  27           HA       PHE  27   6.023  -0.891  -1.935
  215   1HB   PHE  27          2HB       PHE  27   5.417   1.174  -3.220
  216   2HB   PHE  27          1HB       PHE  27   4.351   0.195  -4.225
  217    HD1  PHE  27           HD1      PHE  27   2.110   0.123  -3.635
  218    HD2  PHE  27           HD2      PHE  27   5.056   0.757  -0.574
  219    HE1  PHE  27           HE1      PHE  27   0.308   0.342  -1.947
  220    HE2  PHE  27           HE2      PHE  27   3.254   0.974   1.113
  221    HZ   PHE  27           HZ       PHE  27   0.880   0.767   0.424
  222    H    LYS  28           H        LYS  28   4.954  -2.136  -5.101
  223    HA   LYS  28           HA       LYS  28   2.859  -3.822  -4.027
  224   1HB   LYS  28          2HB       LYS  28   4.239  -3.518  -6.665
  225   2HB   LYS  28          1HB       LYS  28   3.341  -5.006  -6.367
  226   1HG   LYS  28          2HG       LYS  28   1.529  -3.223  -5.471
  227   2HG   LYS  28          1HG       LYS  28   2.342  -2.219  -6.671
  228   1HD   LYS  28          2HD       LYS  28   1.841  -4.895  -7.699
  229   2HD   LYS  28          1HD       LYS  28   0.348  -4.123  -7.168
  230   1HE   LYS  28          2HE       LYS  28   2.286  -2.524  -8.804
  231   2HE   LYS  28          1HE       LYS  28   1.273  -3.714  -9.618
  232   1HZ   LYS  28          1HZ       LYS  28  -0.674  -2.667  -8.590
  233   2HZ   LYS  28          2HZ       LYS  28   0.178  -1.589  -9.589
  234   3HZ   LYS  28          3HZ       LYS  28   0.327  -1.484  -7.901
  235    H    LYS  29           H        LYS  29   6.307  -4.279  -4.707
  236    HA   LYS  29           HA       LYS  29   6.374  -7.131  -4.443
  237   1HB   LYS  29          2HB       LYS  29   8.440  -4.960  -4.096
  238   2HB   LYS  29          1HB       LYS  29   8.833  -6.649  -3.776
  239   1HG   LYS  29          2HG       LYS  29   8.244  -7.282  -6.034
  240   2HG   LYS  29          1HG       LYS  29   7.620  -5.667  -6.370
  241   1HD   LYS  29          2HD       LYS  29  10.105  -4.997  -5.589
  242   2HD   LYS  29          1HD       LYS  29  10.438  -6.612  -6.215
  243   1HE   LYS  29          2HE       LYS  29   9.762  -6.058  -8.383
  244   2HE   LYS  29          1HE       LYS  29   8.769  -4.709  -7.834
  245   1HZ   LYS  29          1HZ       LYS  29  11.161  -3.907  -7.013
  246   2HZ   LYS  29          2HZ       LYS  29  10.532  -3.530  -8.545
  247   3HZ   LYS  29          3HZ       LYS  29  11.625  -4.817  -8.366
  248    H    VAL  30           H        VAL  30   6.819  -4.518  -2.042
  249    HA   VAL  30           HA       VAL  30   7.381  -6.250   0.181
  250    HB   VAL  30           HB       VAL  30   6.107  -3.490   0.200
  251   1HG1  VAL  30          1HG1      VAL  30   5.840  -4.684   2.332
  252   2HG1  VAL  30          2HG1      VAL  30   7.029  -3.394   2.504
  253   3HG1  VAL  30          3HG1      VAL  30   7.560  -5.068   2.348
  254   1HG2  VAL  30          1HG2      VAL  30   8.252  -3.410  -0.937
  255   2HG2  VAL  30          2HG2      VAL  30   8.999  -4.405   0.309
  256   3HG2  VAL  30          3HG2      VAL  30   8.474  -2.766   0.688
  257    H    LEU  31           H        LEU  31   4.343  -4.884  -1.100
  258    HA   LEU  31           HA       LEU  31   2.634  -5.969   0.955
  259   1HB   LEU  31          2HB       LEU  31   2.259  -4.801  -1.769
  260   2HB   LEU  31          1HB       LEU  31   0.939  -5.774  -1.119
  261    HG   LEU  31           HG       LEU  31   2.174  -3.741   0.686
  262   1HD1  LEU  31          1HD1      LEU  31   0.580  -2.029  -0.264
  263   2HD1  LEU  31          2HD1      LEU  31   0.327  -3.110  -1.633
  264   3HD1  LEU  31          3HD1      LEU  31   1.926  -2.430  -1.330
  265   1HD2  LEU  31          1HD2      LEU  31  -0.751  -4.008   0.365
  266   2HD2  LEU  31          2HD2      LEU  31   0.223  -4.020   1.834
  267   3HD2  LEU  31          3HD2      LEU  31   0.066  -5.487   0.869
  268    H    SER  32           H        SER  32   3.719  -7.178  -2.205
  269    HA   SER  32           HA       SER  32   2.097  -9.528  -2.304
  270   1HB   SER  32          2HB       SER  32   4.787  -8.865  -3.522
  271   2HB   SER  32          1HB       SER  32   3.934 -10.368  -3.856
  272    HG   SER  32           HG       SER  32   3.570  -7.985  -4.957
  273    H    LEU  33           H        LEU  33   5.173  -8.855  -0.690
  274    HA   LEU  33           HA       LEU  33   5.742 -11.637  -0.058
  275   1HB   LEU  33          2HB       LEU  33   6.826  -8.981   0.867
  276   2HB   LEU  33          1HB       LEU  33   7.292 -10.470   1.688
  277    HG   LEU  33           HG       LEU  33   7.447 -10.344  -1.308
  278   1HD1  LEU  33          1HD1      LEU  33   9.493  -9.225   0.632
  279   2HD1  LEU  33          2HD1      LEU  33   8.611  -8.320  -0.597
  280   3HD1  LEU  33          3HD1      LEU  33   9.798  -9.531  -1.077
  281   1HD2  LEU  33          1HD2      LEU  33   9.358 -11.637   0.637
  282   2HD2  LEU  33          2HD2      LEU  33   9.010 -12.090  -1.031
  283   3HD2  LEU  33          3HD2      LEU  33   7.826 -12.412   0.235
  284    H    GLN  34           H        GLN  34   3.781  -9.125   1.384
  285    HA   GLN  34           HA       GLN  34   3.626 -10.419   4.007
  286   1HB   GLN  34          2HB       GLN  34   2.224  -8.067   2.735
  287   2HB   GLN  34          1HB       GLN  34   1.757  -8.681   4.322
  288   1HG   GLN  34          2HG       GLN  34   4.203  -8.460   4.994
  289   2HG   GLN  34          1HG       GLN  34   4.446  -7.566   3.491
  290   1HE2  GLN  34          1HE2      GLN  34   2.650  -5.717   3.205
  291   2HE2  GLN  34          2HE2      GLN  34   2.345  -4.799   4.600
  292    H    ILE  35           H        ILE  35   1.373  -9.998   1.235
  293    HA   ILE  35           HA       ILE  35  -0.445 -11.967   2.532
  294    HB   ILE  35           HB       ILE  35  -2.108 -11.251   0.833
  295   1HG1  ILE  35          2HG1      ILE  35   0.061  -9.290  -0.002
  296   2HG1  ILE  35          1HG1      ILE  35  -0.515 -10.645  -0.971
  297   1HG2  ILE  35          1HG2      ILE  35  -2.660  -9.313   1.980
  298   2HG2  ILE  35          2HG2      ILE  35  -0.997  -8.725   2.003
  299   3HG2  ILE  35          3HG2      ILE  35  -1.491 -10.018   3.096
  300   1HD1  ILE  35          1HD1      ILE  35  -2.132  -8.245  -0.068
  301   2HD1  ILE  35          2HD1      ILE  35  -2.820  -9.652  -0.878
  302   3HD1  ILE  35          3HD1      ILE  35  -1.651  -8.634  -1.718
  303    H    GLY  36           H        GLY  36   1.397 -11.504  -0.483
  304   1HA   GLY  36          2HA       GLY  36   2.389 -13.385  -1.657
  305   2HA   GLY  36          1HA       GLY  36   1.151 -14.433  -0.963
  306    H    THR  37           H        THR  37   1.081 -11.395  -2.857
  307    HA   THR  37           HA       THR  37  -0.953 -12.671  -4.649
  308    HB   THR  37           HB       THR  37  -1.275 -10.078  -5.221
  309    HG1  THR  37           HG1      THR  37   0.224  -9.225  -3.876
  310   1HG2  THR  37          1HG2      THR  37  -3.139 -11.302  -4.480
  311   2HG2  THR  37          2HG2      THR  37  -2.960 -10.044  -3.258
  312   3HG2  THR  37          3HG2      THR  37  -2.390 -11.681  -2.929
  313    H    GLN  38           H        GLN  38   2.163 -11.093  -4.524
  314    HA   GLN  38           HA       GLN  38   3.824 -10.871  -6.163
  315   1HB   GLN  38          2HB       GLN  38   1.891 -12.200  -8.088
  316   2HB   GLN  38          1HB       GLN  38   3.638 -12.053  -8.261
  317   1HG   GLN  38          2HG       GLN  38   2.586 -13.407  -5.809
  318   2HG   GLN  38          1HG       GLN  38   2.528 -14.292  -7.332
  319   1HE2  GLN  38          1HE2      GLN  38   4.679 -12.969  -4.876
  320   2HE2  GLN  38          2HE2      GLN  38   6.107 -13.644  -5.498
  321    HA   PRO  39           HA       PRO  39   2.558  -7.143  -8.107
  322   1HB   PRO  39          2HB       PRO  39   4.641  -6.824  -9.890
  323   2HB   PRO  39          1HB       PRO  39   4.777  -6.513  -8.151
  324   1HG   PRO  39          2HG       PRO  39   5.806  -8.828  -9.730
  325   2HG   PRO  39          1HG       PRO  39   6.428  -8.130  -8.225
  326   1HD   PRO  39          2HD       PRO  39   4.895 -10.486  -8.418
  327   2HD   PRO  39          1HD       PRO  39   5.186  -9.561  -6.930
  328    H    ASN  40           H        ASN  40   0.720  -8.418  -9.061
  329    HA   ASN  40           HA       ASN  40   0.487  -8.008 -11.894
  330   1HB   ASN  40          2HB       ASN  40   1.871 -10.305 -11.403
  331   2HB   ASN  40          1HB       ASN  40   0.218 -10.920 -11.392
  332   1HD2  ASN  40          1HD2      ASN  40  -1.014 -10.806 -13.398
  333   2HD2  ASN  40          2HD2      ASN  40  -0.274 -10.429 -14.878
  334    H    LYS  41           H        LYS  41  -0.708  -9.877  -9.082
  335    HA   LYS  41           HA       LYS  41  -3.483  -9.629 -10.096
  336   1HB   LYS  41          2HB       LYS  41  -2.074 -11.410  -8.245
  337   2HB   LYS  41          1HB       LYS  41  -3.625 -10.854  -7.612
  338   1HG   LYS  41          2HG       LYS  41  -3.818 -11.558 -10.432
  339   2HG   LYS  41          1HG       LYS  41  -3.241 -12.913  -9.462
  340   1HD   LYS  41          2HD       LYS  41  -5.157 -12.381  -7.845
  341   2HD   LYS  41          1HD       LYS  41  -5.801 -11.342  -9.118
  342   1HE   LYS  41          2HE       LYS  41  -6.580 -13.113 -10.278
  343   2HE   LYS  41          1HE       LYS  41  -5.036 -13.953 -10.160
  344   1HZ   LYS  41          1HZ       LYS  41  -6.978 -13.809  -7.923
  345   2HZ   LYS  41          2HZ       LYS  41  -5.607 -14.807  -8.049
  346   3HZ   LYS  41          3HZ       LYS  41  -6.951 -15.080  -9.047
  347    H    ILE  42           H        ILE  42  -1.383  -7.785  -8.193
  348    HA   ILE  42           HA       ILE  42  -3.632  -6.708  -6.553
  349    HB   ILE  42           HB       ILE  42  -1.617  -5.420  -5.440
  350   1HG1  ILE  42          2HG1      ILE  42  -0.182  -7.906  -6.412
  351   2HG1  ILE  42          1HG1      ILE  42  -0.011  -6.347  -7.216
  352   1HG2  ILE  42          1HG2      ILE  42  -1.795  -6.933  -3.724
  353   2HG2  ILE  42          2HG2      ILE  42  -1.601  -8.324  -4.788
  354   3HG2  ILE  42          3HG2      ILE  42  -3.150  -7.489  -4.707
  355   1HD1  ILE  42          1HD1      ILE  42   0.689  -5.360  -5.011
  356   2HD1  ILE  42          2HD1      ILE  42   1.805  -6.579  -5.627
  357   3HD1  ILE  42          3HD1      ILE  42   0.678  -6.989  -4.334
  358    H    VAL  43           H        VAL  43  -4.573  -4.913  -7.287
  359    HA   VAL  43           HA       VAL  43  -3.013  -3.070  -9.057
  360    HB   VAL  43           HB       VAL  43  -6.027  -3.352  -8.765
  361   1HG1  VAL  43          1HG1      VAL  43  -5.263  -1.076  -9.378
  362   2HG1  VAL  43          2HG1      VAL  43  -6.105  -1.853 -10.717
  363   3HG1  VAL  43          3HG1      VAL  43  -4.345  -1.754 -10.723
  364   1HG2  VAL  43          1HG2      VAL  43  -4.019  -4.611 -10.566
  365   2HG2  VAL  43          2HG2      VAL  43  -5.498  -4.029 -11.329
  366   3HG2  VAL  43          3HG2      VAL  43  -5.586  -5.216 -10.029
  367    H    LEU  44           H        LEU  44  -2.301  -1.309  -7.919
  368    HA   LEU  44           HA       LEU  44  -3.808  -0.480  -5.495
  369   1HB   LEU  44          2HB       LEU  44  -1.019   0.010  -6.510
  370   2HB   LEU  44          1HB       LEU  44  -1.715   1.079  -5.293
  371    HG   LEU  44           HG       LEU  44  -1.942  -1.874  -4.866
  372   1HD1  LEU  44          1HD1      LEU  44   0.345  -1.906  -5.321
  373   2HD1  LEU  44          2HD1      LEU  44   0.334  -1.559  -3.593
  374   3HD1  LEU  44          3HD1      LEU  44   0.587  -0.256  -4.752
  375   1HD2  LEU  44          1HD2      LEU  44  -3.005  -0.540  -3.213
  376   2HD2  LEU  44          2HD2      LEU  44  -1.672   0.615  -3.170
  377   3HD2  LEU  44          3HD2      LEU  44  -1.466  -0.996  -2.483
  378    H    GLN  45           H        GLN  45  -4.946   1.419  -5.422
  379    HA   GLN  45           HA       GLN  45  -4.608   3.352  -7.675
  380   1HB   GLN  45          2HB       GLN  45  -7.274   2.492  -6.504
  381   2HB   GLN  45          1HB       GLN  45  -7.027   3.627  -7.830
  382   1HG   GLN  45          2HG       GLN  45  -5.688   1.565  -8.868
  383   2HG   GLN  45          1HG       GLN  45  -6.765   0.649  -7.812
  384   1HE2  GLN  45          1HE2      GLN  45  -8.679   0.062  -8.839
  385   2HE2  GLN  45          2HE2      GLN  45  -9.445   0.953 -10.063
  386    H    LYS  46           H        LYS  46  -4.415   5.435  -6.987
  387    HA   LYS  46           HA       LYS  46  -4.533   5.999  -4.106
  388   1HB   LYS  46          2HB       LYS  46  -3.391   7.261  -6.503
  389   2HB   LYS  46          1HB       LYS  46  -4.089   8.422  -5.374
  390   1HG   LYS  46          2HG       LYS  46  -2.624   6.459  -3.875
  391   2HG   LYS  46          1HG       LYS  46  -1.589   7.068  -5.167
  392   1HD   LYS  46          2HD       LYS  46  -1.506   9.180  -4.294
  393   2HD   LYS  46          1HD       LYS  46  -3.175   9.116  -3.720
  394   1HE   LYS  46          2HE       LYS  46  -1.477   7.201  -2.320
  395   2HE   LYS  46          1HE       LYS  46  -0.878   8.849  -2.150
  396   1HZ   LYS  46          1HZ       LYS  46  -2.385   8.814  -0.471
  397   2HZ   LYS  46          2HZ       LYS  46  -3.396   7.679  -1.231
  398   3HZ   LYS  46          3HZ       LYS  46  -3.420   9.306  -1.718
  399    H    GLY  47           H        GLY  47  -5.924   7.786  -6.902
  400   1HA   GLY  47          2HA       GLY  47  -8.518   7.951  -5.459
  401   2HA   GLY  47          1HA       GLY  47  -7.727   9.465  -5.903
  402    H    GLY  48           H        GLY  48  -8.797   6.375  -7.353
  403   1HA   GLY  48          2HA       GLY  48 -10.039   6.052  -9.342
  404   2HA   GLY  48          1HA       GLY  48 -10.055   7.799  -9.580
  405    H    SER  49           H        SER  49  -7.052   6.077  -8.999
  406    HA   SER  49           HA       SER  49  -6.377   5.958 -11.867
  407   1HB   SER  49          2HB       SER  49  -5.591   8.185 -10.199
  408   2HB   SER  49          1HB       SER  49  -4.164   7.281 -10.691
  409    HG   SER  49           HG       SER  49  -4.771   8.865 -12.234
  410    H    VAL  50           H        VAL  50  -4.983   4.272 -12.221
  411    HA   VAL  50           HA       VAL  50  -4.167   2.645  -9.932
  412    HB   VAL  50           HB       VAL  50  -3.219   1.122 -11.667
  413   1HG1  VAL  50          1HG1      VAL  50  -6.018   2.118 -12.272
  414   2HG1  VAL  50          2HG1      VAL  50  -5.599   0.977 -10.995
  415   3HG1  VAL  50          3HG1      VAL  50  -5.372   0.530 -12.685
  416   1HG2  VAL  50          1HG2      VAL  50  -3.257   1.648 -13.965
  417   2HG2  VAL  50          2HG2      VAL  50  -2.719   3.153 -13.223
  418   3HG2  VAL  50          3HG2      VAL  50  -4.395   2.975 -13.738
  419    H    LEU  51           H        LEU  51  -1.979   2.093  -9.403
  420    HA   LEU  51           HA       LEU  51  -0.041   4.256 -10.067
  421   1HB   LEU  51          2HB       LEU  51   0.351   2.146  -7.943
  422   2HB   LEU  51          1HB       LEU  51   1.078   3.747  -8.044
  423    HG   LEU  51           HG       LEU  51  -1.858   3.173  -7.533
  424   1HD1  LEU  51          1HD1      LEU  51   0.273   4.291  -5.690
  425   2HD1  LEU  51          2HD1      LEU  51  -0.323   2.633  -5.639
  426   3HD1  LEU  51          3HD1      LEU  51  -1.411   3.971  -5.274
  427   1HD2  LEU  51          1HD2      LEU  51  -0.811   5.410  -8.715
  428   2HD2  LEU  51          2HD2      LEU  51  -0.718   5.854  -7.012
  429   3HD2  LEU  51          3HD2      LEU  51  -2.269   5.411  -7.724
  430    H    LYS  52           H        LYS  52   1.776   3.811 -11.252
  431    HA   LYS  52           HA       LYS  52   2.250   0.953 -12.013
  432   1HB   LYS  52          2HB       LYS  52   2.487   3.539 -13.518
  433   2HB   LYS  52          1HB       LYS  52   3.528   2.190 -13.967
  434   1HG   LYS  52          2HG       LYS  52   1.818   1.042 -14.908
  435   2HG   LYS  52          1HG       LYS  52   0.734   1.396 -13.562
  436   1HD   LYS  52          2HD       LYS  52   1.436   3.647 -15.397
  437   2HD   LYS  52          1HD       LYS  52   0.313   2.425 -15.993
  438   1HE   LYS  52          2HE       LYS  52  -1.331   3.016 -14.516
  439   2HE   LYS  52          1HE       LYS  52  -0.184   3.406 -13.236
  440   1HZ   LYS  52          1HZ       LYS  52   0.419   5.356 -14.823
  441   2HZ   LYS  52          2HZ       LYS  52  -0.945   5.469 -13.817
  442   3HZ   LYS  52          3HZ       LYS  52  -1.128   5.078 -15.460
  443    H    ASP  53           H        ASP  53   4.456   0.243 -12.182
  444    HA   ASP  53           HA       ASP  53   6.210   1.134 -10.120
  445   1HB   ASP  53          2HB       ASP  53   6.461  -1.109 -10.921
  446   2HB   ASP  53          1HB       ASP  53   6.670  -0.564 -12.583
  447    H    HIS  54           H        HIS  54   5.866   2.142 -13.470
  448    HA   HIS  54           HA       HIS  54   8.383   3.448 -13.811
  449   1HB   HIS  54          2HB       HIS  54   5.704   3.574 -15.099
  450   2HB   HIS  54          1HB       HIS  54   6.764   4.961 -15.349
  451    HD1  HIS  54           HD1      HIS  54   6.496   1.272 -16.043
  452    HD2  HIS  54           HD2      HIS  54   9.079   4.427 -16.908
  453    HE1  HIS  54           HE1      HIS  54   8.094   0.423 -17.813
  454    H    ILE  55           H        ILE  55   5.757   4.253 -11.734
  455    HA   ILE  55           HA       ILE  55   6.806   7.047 -11.466
  456    HB   ILE  55           HB       ILE  55   4.023   5.993 -10.853
  457   1HG1  ILE  55          2HG1      ILE  55   3.721   7.954 -12.718
  458   2HG1  ILE  55          1HG1      ILE  55   5.280   7.293 -13.210
  459   1HG2  ILE  55          1HG2      ILE  55   5.307   8.720 -10.571
  460   2HG2  ILE  55          2HG2      ILE  55   4.513   7.766  -9.318
  461   3HG2  ILE  55          3HG2      ILE  55   3.559   8.491 -10.612
  462   1HD1  ILE  55          1HD1      ILE  55   2.665   6.189 -13.629
  463   2HD1  ILE  55          2HD1      ILE  55   3.587   5.086 -12.608
  464   3HD1  ILE  55          3HD1      ILE  55   4.219   5.567 -14.182
  465    H    SER  56           H        SER  56   7.287   7.773  -9.379
  466    HA   SER  56           HA       SER  56   7.666   5.658  -7.357
  467   1HB   SER  56          2HB       SER  56   9.205   7.794  -8.066
  468   2HB   SER  56          1HB       SER  56   8.358   8.452  -6.670
  469    HG   SER  56           HG       SER  56   9.835   7.378  -5.614
  470    H    LEU  57           H        LEU  57   6.985   6.005  -5.104
  471    HA   LEU  57           HA       LEU  57   4.216   6.653  -4.844
  472   1HB   LEU  57          2HB       LEU  57   6.384   6.425  -2.733
  473   2HB   LEU  57          1HB       LEU  57   4.661   6.535  -2.377
  474    HG   LEU  57           HG       LEU  57   5.718   4.423  -4.256
  475   1HD1  LEU  57          1HD1      LEU  57   5.554   4.321  -1.231
  476   2HD1  LEU  57          2HD1      LEU  57   6.994   4.103  -2.223
  477   3HD1  LEU  57          3HD1      LEU  57   5.711   2.893  -2.254
  478   1HD2  LEU  57          1HD2      LEU  57   3.292   4.816  -4.202
  479   2HD2  LEU  57          2HD2      LEU  57   3.287   4.634  -2.447
  480   3HD2  LEU  57          3HD2      LEU  57   3.666   3.253  -3.476
  481    H    GLU  58           H        GLU  58   7.132   8.599  -4.399
  482    HA   GLU  58           HA       GLU  58   5.944  10.812  -3.019
  483   1HB   GLU  58          2HB       GLU  58   8.485  10.172  -4.161
  484   2HB   GLU  58          1HB       GLU  58   7.992  11.742  -4.796
  485   1HG   GLU  58          2HG       GLU  58   7.910  12.725  -2.681
  486   2HG   GLU  58          1HG       GLU  58   7.680  11.181  -1.860
  487    H    ASP  59           H        ASP  59   6.180   9.985  -6.463
  488    HA   ASP  59           HA       ASP  59   5.198  12.495  -7.478
  489   1HB   ASP  59          2HB       ASP  59   5.103   9.702  -8.661
  490   2HB   ASP  59          1HB       ASP  59   4.699  11.173  -9.546
  491    H    TYR  60           H        TYR  60   3.593   9.430  -6.609
  492    HA   TYR  60           HA       TYR  60   0.939  10.336  -7.333
  493   1HB   TYR  60          2HB       TYR  60   2.006   8.033  -5.703
  494   2HB   TYR  60          1HB       TYR  60   0.274   8.351  -5.801
  495    HD1  TYR  60           HD1      TYR  60  -0.518   8.939  -8.344
  496    HD2  TYR  60           HD2      TYR  60   2.848   6.504  -7.247
  497    HE1  TYR  60           HE1      TYR  60  -0.601   7.827 -10.559
  498    HE2  TYR  60           HE2      TYR  60   2.764   5.393  -9.462
  499    HH   TYR  60           HH       TYR  60   1.065   6.600 -12.064
  500    H    GLU  61           H        GLU  61   2.984  10.949  -4.627
  501    HA   GLU  61           HA       GLU  61   2.656  12.377  -2.805
  502   1HB   GLU  61          2HB       GLU  61   0.726  13.263  -4.486
  503   2HB   GLU  61          1HB       GLU  61  -0.283  12.638  -3.181
  504   1HG   GLU  61          2HG       GLU  61   0.092  14.709  -2.280
  505   2HG   GLU  61          1HG       GLU  61   1.588  13.956  -1.726
  506    H    VAL  62           H        VAL  62   2.969   9.965  -2.055
  507    HA   VAL  62           HA       VAL  62   0.590   8.949  -0.593
  508    HB   VAL  62           HB       VAL  62   3.376   7.773  -0.910
  509   1HG1  VAL  62          1HG1      VAL  62   2.185   5.677  -0.123
  510   2HG1  VAL  62          2HG1      VAL  62   0.820   6.703   0.316
  511   3HG1  VAL  62          3HG1      VAL  62   2.379   6.923   1.110
  512   1HG2  VAL  62          1HG2      VAL  62   0.879   6.653  -2.146
  513   2HG2  VAL  62          2HG2      VAL  62   2.551   6.501  -2.681
  514   3HG2  VAL  62          3HG2      VAL  62   1.682   8.012  -2.931
  515    H    HIS  63           H        HIS  63   0.283   9.798   1.410
  516    HA   HIS  63           HA       HIS  63   2.634  10.812   2.930
  517   1HB   HIS  63          2HB       HIS  63  -0.345  11.210   3.340
  518   2HB   HIS  63          1HB       HIS  63   0.907  11.898   4.374
  519    HD1  HIS  63           HD1      HIS  63   2.682  13.513   3.085
  520    HD2  HIS  63           HD2      HIS  63  -0.882  12.724   1.073
  521    HE1  HIS  63           HE1      HIS  63   2.481  15.267   1.270
  522    H    ASP  64           H        ASP  64   2.417  10.489   5.397
  523    HA   ASP  64           HA       ASP  64   2.434   7.653   5.953
  524   1HB   ASP  64          2HB       ASP  64   3.832   9.404   7.133
  525   2HB   ASP  64          1HB       ASP  64   2.367   9.919   7.967
  526    H    GLN  65           H        GLN  65   0.882   6.384   6.908
  527    HA   GLN  65           HA       GLN  65  -1.212   5.700   7.680
  528   1HB   GLN  65          2HB       GLN  65  -0.640   8.171   9.035
  529   2HB   GLN  65          1HB       GLN  65  -2.361   8.115   8.658
  530   1HG   GLN  65          2HG       GLN  65  -2.364   6.951  10.656
  531   2HG   GLN  65          1HG       GLN  65  -2.115   5.614   9.534
  532   1HE2  GLN  65          1HE2      GLN  65   0.094   4.738   9.338
  533   2HE2  GLN  65          2HE2      GLN  65   1.254   5.036  10.542
  534    H    THR  66           H        THR  66  -0.910   6.700   4.931
  535    HA   THR  66           HA       THR  66  -3.463   8.092   4.388
  536    HB   THR  66           HB       THR  66  -1.288   8.636   3.166
  537    HG1  THR  66           HG1      THR  66  -2.712   9.432   1.878
  538   1HG2  THR  66          1HG2      THR  66  -1.586   6.672   1.108
  539   2HG2  THR  66          2HG2      THR  66  -1.393   5.835   2.647
  540   3HG2  THR  66          3HG2      THR  66  -0.177   6.994   2.116
  541    H    ASN  67           H        ASN  67  -4.964   7.156   2.745
  542    HA   ASN  67           HA       ASN  67  -5.215   4.219   3.163
  543   1HB   ASN  67          2HB       ASN  67  -7.083   6.428   3.061
  544   2HB   ASN  67          1HB       ASN  67  -7.525   5.195   1.879
  545   1HD2  ASN  67          1HD2      ASN  67  -8.028   3.021   2.685
  546   2HD2  ASN  67          2HD2      ASN  67  -8.364   2.755   4.328
  547    H    LEU  68           H        LEU  68  -4.852   2.846   1.515
  548    HA   LEU  68           HA       LEU  68  -4.751   3.939  -1.273
  549   1HB   LEU  68          2HB       LEU  68  -2.894   2.268   0.258
  550   2HB   LEU  68          1HB       LEU  68  -3.345   1.528  -1.276
  551    HG   LEU  68           HG       LEU  68  -1.347   2.958  -1.528
  552   1HD1  LEU  68          1HD1      LEU  68  -2.365   4.548  -3.296
  553   2HD1  LEU  68          2HD1      LEU  68  -3.909   3.814  -2.872
  554   3HD1  LEU  68          3HD1      LEU  68  -2.609   2.816  -3.519
  555   1HD2  LEU  68          1HD2      LEU  68  -2.002   4.549   0.321
  556   2HD2  LEU  68          2HD2      LEU  68  -3.170   5.265  -0.787
  557   3HD2  LEU  68          3HD2      LEU  68  -1.447   5.345  -1.151
  558    H    GLU  69           H        GLU  69  -5.666   2.612  -2.934
  559    HA   GLU  69           HA       GLU  69  -7.691   0.673  -1.929
  560   1HB   GLU  69          2HB       GLU  69  -8.458   2.548  -3.380
  561   2HB   GLU  69          1HB       GLU  69  -7.419   1.947  -4.671
  562   1HG   GLU  69          2HG       GLU  69  -9.056  -0.200  -3.617
  563   2HG   GLU  69          1HG       GLU  69 -10.068   1.154  -4.117
  564    H    LEU  70           H        LEU  70  -7.600  -1.485  -2.487
  565    HA   LEU  70           HA       LEU  70  -5.453  -2.316  -4.394
  566   1HB   LEU  70          2HB       LEU  70  -4.825  -2.804  -2.029
  567   2HB   LEU  70          1HB       LEU  70  -6.284  -3.778  -1.868
  568    HG   LEU  70           HG       LEU  70  -5.507  -5.283  -3.646
  569   1HD1  LEU  70          1HD1      LEU  70  -3.435  -5.004  -4.778
  570   2HD1  LEU  70          2HD1      LEU  70  -2.899  -3.751  -3.659
  571   3HD1  LEU  70          3HD1      LEU  70  -4.185  -3.411  -4.815
  572   1HD2  LEU  70          1HD2      LEU  70  -4.286  -4.932  -1.088
  573   2HD2  LEU  70          2HD2      LEU  70  -3.025  -5.419  -2.219
  574   3HD2  LEU  70          3HD2      LEU  70  -4.459  -6.424  -2.013
  575    H    TYR  71           H        TYR  71  -6.388  -3.217  -6.135
  576    HA   TYR  71           HA       TYR  71  -8.980  -4.674  -5.801
  577   1HB   TYR  71          2HB       TYR  71  -7.997  -2.733  -7.744
  578   2HB   TYR  71          1HB       TYR  71  -8.577  -4.202  -8.528
  579    HD1  TYR  71           HD1      TYR  71 -10.703  -3.692  -9.389
  580    HD2  TYR  71           HD2      TYR  71  -9.719  -2.529  -5.371
  581    HE1  TYR  71           HE1      TYR  71 -13.045  -2.969  -9.023
  582    HE2  TYR  71           HE2      TYR  71 -12.062  -1.808  -5.006
  583    HH   TYR  71           HH       TYR  71 -14.206  -1.242  -7.420
  584    H    TYR  72           H        TYR  72  -9.257  -6.600  -7.213
  585    HA   TYR  72           HA       TYR  72  -6.660  -8.033  -7.581
  586   1HB   TYR  72          2HB       TYR  72  -9.427  -8.917  -6.837
  587   2HB   TYR  72          1HB       TYR  72  -8.359 -10.056  -7.657
  588    HD1  TYR  72           HD1      TYR  72  -8.888  -8.064  -4.603
  589    HD2  TYR  72           HD2      TYR  72  -6.309 -10.860  -6.602
  590    HE1  TYR  72           HE1      TYR  72  -7.701  -8.494  -2.469
  591    HE2  TYR  72           HE2      TYR  72  -5.122 -11.289  -4.468
  592    HH   TYR  72           HH       TYR  72  -5.085  -9.414  -1.976
  593    H    LEU  73           HN       LEU  73  -6.014  -8.037  -9.672
  594    HA   LEU  73           HA       LEU  73  -8.103  -8.401 -11.786
  595   1HB   LEU  73          2HB       LEU  73  -6.209  -6.292 -11.476
  596   2HB   LEU  73          1HB       LEU  73  -5.707  -7.244 -12.871
  597    HG   LEU  73           HG       LEU  73  -7.271  -5.444 -13.523
  598   1HD1  LEU  73          1HD1      LEU  73  -8.002  -6.833 -15.133
  599   2HD1  LEU  73          2HD1      LEU  73  -9.131  -7.590 -14.010
  600   3HD1  LEU  73          3HD1      LEU  73  -7.483  -8.199 -14.147
  601   1HD2  LEU  73          1HD2      LEU  73  -8.551  -6.082 -11.133
  602   2HD2  LEU  73          2HD2      LEU  73  -9.656  -6.688 -12.365
  603   3HD2  LEU  73          3HD2      LEU  73  -9.169  -4.992 -12.373
  Start of MODEL    8
    1    H    MET   1           1H       MET   1  11.936   5.398   5.939
    2    HA   MET   1           HA       MET   1   9.899   4.670   4.864
    3   1HB   MET   1          2HB       MET   1  10.915   3.488   7.400
    4   2HB   MET   1          1HB       MET   1   9.381   2.857   6.800
    5   1HG   MET   1          2HG       MET   1  10.464   2.503   4.566
    6   2HG   MET   1          1HG       MET   1  12.003   2.980   5.285
    7   1HE   MET   1          1HE       MET   1  11.592   0.695   3.730
    8   2HE   MET   1          2HE       MET   1  11.628  -0.894   4.488
    9   3HE   MET   1          3HE       MET   1  13.028   0.170   4.614
   10    H    ILE   2           H        ILE   2   7.642   4.553   4.878
   11    HA   ILE   2           HA       ILE   2   6.286   5.861   7.201
   12    HB   ILE   2           HB       ILE   2   4.620   6.747   5.595
   13   1HG1  ILE   2          2HG1      ILE   2   6.440   6.126   3.305
   14   2HG1  ILE   2          1HG1      ILE   2   5.400   4.828   3.888
   15   1HG2  ILE   2          1HG2      ILE   2   7.425   7.490   4.734
   16   2HG2  ILE   2          2HG2      ILE   2   6.722   8.007   6.267
   17   3HG2  ILE   2          3HG2      ILE   2   5.995   8.520   4.745
   18   1HD1  ILE   2          1HD1      ILE   2   4.333   7.583   3.260
   19   2HD1  ILE   2          2HD1      ILE   2   3.421   6.089   3.477
   20   3HD1  ILE   2          3HD1      ILE   2   4.425   6.310   2.045
   21    H    GLU   3           H        GLU   3   4.026   5.188   7.513
   22    HA   GLU   3           HA       GLU   3   3.698   2.289   6.915
   23   1HB   GLU   3          2HB       GLU   3   2.297   4.106   8.904
   24   2HB   GLU   3          1HB       GLU   3   1.952   2.389   8.701
   25   1HG   GLU   3          2HG       GLU   3   3.522   2.153  10.345
   26   2HG   GLU   3          1HG       GLU   3   4.649   2.291   8.997
   27    H    VAL   4           H        VAL   4   2.017   1.569   5.626
   28    HA   VAL   4           HA       VAL   4   0.022   3.610   4.725
   29    HB   VAL   4           HB       VAL   4   1.088   1.447   2.904
   30   1HG1  VAL   4          1HG1      VAL   4   0.427   3.528   1.330
   31   2HG1  VAL   4          2HG1      VAL   4  -0.644   3.862   2.690
   32   3HG1  VAL   4          3HG1      VAL   4  -0.754   2.321   1.840
   33   1HG2  VAL   4          1HG2      VAL   4   3.061   2.701   3.495
   34   2HG2  VAL   4          2HG2      VAL   4   2.192   4.232   3.390
   35   3HG2  VAL   4          3HG2      VAL   4   2.529   3.309   1.927
   36    H    VAL   5           H        VAL   5  -2.028   2.694   4.017
   37    HA   VAL   5           HA       VAL   5  -2.544  -0.088   4.971
   38    HB   VAL   5           HB       VAL   5  -4.944   1.163   5.471
   39   1HG1  VAL   5          1HG1      VAL   5  -2.589   0.456   7.202
   40   2HG1  VAL   5          2HG1      VAL   5  -4.131  -0.384   7.028
   41   3HG1  VAL   5          3HG1      VAL   5  -4.048   1.137   7.917
   42   1HG2  VAL   5          1HG2      VAL   5  -4.713   3.301   6.267
   43   2HG2  VAL   5          2HG2      VAL   5  -3.339   3.336   5.166
   44   3HG2  VAL   5          3HG2      VAL   5  -3.088   3.007   6.880
   45    H    VAL   6           H        VAL   6  -3.058  -1.163   3.145
   46    HA   VAL   6           HA       VAL   6  -4.634   0.248   1.043
   47    HB   VAL   6           HB       VAL   6  -3.391  -2.468   0.654
   48   1HG1  VAL   6          1HG1      VAL   6  -3.497  -1.916  -1.614
   49   2HG1  VAL   6          2HG1      VAL   6  -3.460  -0.181  -1.298
   50   3HG1  VAL   6          3HG1      VAL   6  -4.930  -1.104  -0.985
   51   1HG2  VAL   6          1HG2      VAL   6  -1.823  -0.422   1.600
   52   2HG2  VAL   6          2HG2      VAL   6  -1.743  -0.134  -0.138
   53   3HG2  VAL   6          3HG2      VAL   6  -1.243  -1.691   0.522
   54    H    ASN   7           H        ASN   7  -6.746  -0.265   0.809
   55    HA   ASN   7           HA       ASN   7  -7.745  -2.762   2.123
   56   1HB   ASN   7          2HB       ASN   7 -10.019  -1.441   1.879
   57   2HB   ASN   7          1HB       ASN   7  -8.921  -1.074   3.205
   58   1HD2  ASN   7          1HD2      ASN   7  -7.824   0.991   3.183
   59   2HD2  ASN   7          2HD2      ASN   7  -8.190   2.198   2.047
   60    H    ASP   8           H        ASP   8  -8.529  -4.314   0.809
   61    HA   ASP   8           HA       ASP   8  -8.633  -3.892  -2.074
   62   1HB   ASP   8          2HB       ASP   8  -7.999  -6.053  -0.683
   63   2HB   ASP   8          1HB       ASP   8  -9.735  -6.357  -0.766
   64    H    ARG   9           H        ARG   9 -10.505  -4.132  -3.406
   65    HA   ARG   9           HA       ARG   9 -12.877  -2.858  -2.432
   66   1HB   ARG   9          2HB       ARG   9 -11.900  -3.288  -4.904
   67   2HB   ARG   9          1HB       ARG   9 -13.076  -4.602  -4.841
   68   1HG   ARG   9          2HG       ARG   9 -14.595  -3.034  -5.458
   69   2HG   ARG   9          1HG       ARG   9 -14.504  -2.486  -3.785
   70   1HD   ARG   9          2HD       ARG   9 -12.489  -1.488  -5.779
   71   2HD   ARG   9          1HD       ARG   9 -14.099  -0.771  -5.740
   72    HE   ARG   9           HE       ARG   9 -12.274  -0.812  -3.365
   73   1HH1  ARG   9          2HH1      ARG   9 -12.326   1.663  -5.042
   74   2HH1  ARG   9          1HH1      ARG   9 -13.521   2.627  -4.240
   75   1HH2  ARG   9          1HH2      ARG   9 -14.850  -0.042  -2.447
   76   2HH2  ARG   9          2HH2      ARG   9 -14.956   1.658  -2.763
   77    H    LEU  10           H        LEU  10 -12.032  -6.288  -2.887
   78    HA   LEU  10           HA       LEU  10 -14.659  -7.349  -2.394
   79   1HB   LEU  10          2HB       LEU  10 -11.893  -8.401  -2.500
   80   2HB   LEU  10          1HB       LEU  10 -12.987  -9.307  -1.454
   81    HG   LEU  10           HG       LEU  10 -14.536  -8.842  -3.704
   82   1HD1  LEU  10          1HD1      LEU  10 -11.669  -8.818  -4.423
   83   2HD1  LEU  10          2HD1      LEU  10 -13.063  -8.237  -5.331
   84   3HD1  LEU  10          3HD1      LEU  10 -12.651  -9.952  -5.351
   85   1HD2  LEU  10          1HD2      LEU  10 -12.759 -11.230  -3.093
   86   2HD2  LEU  10          2HD2      LEU  10 -14.173 -11.250  -4.149
   87   3HD2  LEU  10          3HD2      LEU  10 -14.364 -10.947  -2.421
   88    H    GLY  11           H        GLY  11 -11.870  -6.774  -0.226
   89   1HA   GLY  11          2HA       GLY  11 -12.834  -5.697   1.992
   90   2HA   GLY  11          1HA       GLY  11 -13.602  -7.281   2.143
   91    H    LYS  12           H        LYS  12 -10.375  -5.841   1.571
   92    HA   LYS  12           HA       LYS  12  -9.234  -7.721   3.557
   93   1HB   LYS  12          2HB       LYS  12  -9.086  -8.247   0.800
   94   2HB   LYS  12          1HB       LYS  12  -7.507  -7.583   1.218
   95   1HG   LYS  12          2HG       LYS  12  -8.168  -9.350   3.317
   96   2HG   LYS  12          1HG       LYS  12  -8.598 -10.194   1.827
   97   1HD   LYS  12          2HD       LYS  12  -6.338  -9.637   0.913
   98   2HD   LYS  12          1HD       LYS  12  -5.916  -8.933   2.473
   99   1HE   LYS  12          2HE       LYS  12  -6.311 -11.104   3.569
  100   2HE   LYS  12          1HE       LYS  12  -6.750 -11.812   2.015
  101   1HZ   LYS  12          1HZ       LYS  12  -4.411 -12.211   2.679
  102   2HZ   LYS  12          2HZ       LYS  12  -4.128 -10.541   2.582
  103   3HZ   LYS  12          3HZ       LYS  12  -4.561 -11.416   1.190
  104    H    LYS  13           H        LYS  13  -8.308  -6.253   4.931
  105    HA   LYS  13           HA       LYS  13  -6.959  -3.852   3.801
  106   1HB   LYS  13          2HB       LYS  13  -8.597  -4.193   6.031
  107   2HB   LYS  13          1HB       LYS  13  -6.975  -4.069   6.718
  108   1HG   LYS  13          2HG       LYS  13  -6.740  -2.062   5.016
  109   2HG   LYS  13          1HG       LYS  13  -8.503  -2.062   5.090
  110   1HD   LYS  13          2HD       LYS  13  -7.854  -2.267   7.745
  111   2HD   LYS  13          1HD       LYS  13  -6.534  -1.267   7.137
  112   1HE   LYS  13          2HE       LYS  13  -9.229  -0.534   6.146
  113   2HE   LYS  13          1HE       LYS  13  -8.960  -0.262   7.868
  114   1HZ   LYS  13          1HZ       LYS  13  -7.426   0.838   5.587
  115   2HZ   LYS  13          2HZ       LYS  13  -6.830   0.867   7.180
  116   3HZ   LYS  13          3HZ       LYS  13  -8.265   1.687   6.791
  117    H    VAL  14           H        VAL  14  -4.778  -3.813   3.628
  118    HA   VAL  14           HA       VAL  14  -3.175  -5.699   5.316
  119    HB   VAL  14           HB       VAL  14  -2.446  -4.845   2.501
  120   1HG1  VAL  14          1HG1      VAL  14  -0.528  -5.918   2.979
  121   2HG1  VAL  14          2HG1      VAL  14  -1.438  -7.400   3.270
  122   3HG1  VAL  14          3HG1      VAL  14  -1.119  -6.285   4.599
  123   1HG2  VAL  14          1HG2      VAL  14  -3.483  -6.759   1.618
  124   2HG2  VAL  14          2HG2      VAL  14  -4.663  -6.215   2.807
  125   3HG2  VAL  14          3HG2      VAL  14  -3.580  -7.552   3.190
  126    H    ARG  15           H        ARG  15  -1.266  -4.858   6.190
  127    HA   ARG  15           HA       ARG  15  -0.871  -1.914   5.856
  128   1HB   ARG  15          2HB       ARG  15  -0.715  -3.764   8.167
  129   2HB   ARG  15          1HB       ARG  15   0.573  -2.562   8.081
  130   1HG   ARG  15          2HG       ARG  15  -1.426  -0.906   7.581
  131   2HG   ARG  15          1HG       ARG  15  -2.384  -2.152   8.383
  132   1HD   ARG  15          2HD       ARG  15  -1.752  -0.792  10.181
  133   2HD   ARG  15          1HD       ARG  15  -0.510  -2.044  10.212
  134    HE   ARG  15           HE       ARG  15   1.064  -0.452   9.291
  135   1HH1  ARG  15          1HH2      ARG  15  -0.283   1.164  11.480
  136   2HH1  ARG  15          2HH2      ARG  15  -0.613   2.651  10.656
  137   1HH2  ARG  15          2HH1      ARG  15  -0.143   1.301   7.485
  138   2HH2  ARG  15          1HH1      ARG  15  -0.532   2.729   8.383
  139    H    VAL  16           H        VAL  16   1.130  -1.167   5.173
  140    HA   VAL  16           HA       VAL  16   3.397  -3.081   5.031
  141    HB   VAL  16           HB       VAL  16   2.196  -3.292   2.885
  142   1HG1  VAL  16          1HG1      VAL  16   1.167  -1.473   2.053
  143   2HG1  VAL  16          2HG1      VAL  16   2.754  -0.846   1.607
  144   3HG1  VAL  16          3HG1      VAL  16   2.036  -0.410   3.158
  145   1HG2  VAL  16          1HG2      VAL  16   4.717  -1.682   2.430
  146   2HG2  VAL  16          2HG2      VAL  16   4.089  -3.013   1.459
  147   3HG2  VAL  16          3HG2      VAL  16   4.751  -3.327   3.063
  148    H    LYS  17           H        LYS  17   5.393  -2.087   5.256
  149    HA   LYS  17           HA       LYS  17   5.355   0.878   5.638
  150   1HB   LYS  17          2HB       LYS  17   6.057  -0.806   7.525
  151   2HB   LYS  17          1HB       LYS  17   7.571  -0.906   6.623
  152   1HG   LYS  17          2HG       LYS  17   7.948   1.463   6.835
  153   2HG   LYS  17          1HG       LYS  17   6.328   1.719   7.485
  154   1HD   LYS  17          2HD       LYS  17   6.898   0.378   9.473
  155   2HD   LYS  17          1HD       LYS  17   8.518   0.099   8.829
  156   1HE   LYS  17          2HE       LYS  17   9.126   2.381   9.056
  157   2HE   LYS  17          1HE       LYS  17   7.450   2.897   9.238
  158   1HZ   LYS  17          1HZ       LYS  17   9.110   1.393  11.179
  159   2HZ   LYS  17          2HZ       LYS  17   7.424   1.533  11.330
  160   3HZ   LYS  17          3HZ       LYS  17   8.401   2.921  11.382
  161    H    CYS  18           H        CYS  18   6.442   2.085   4.165
  162    HA   CYS  18           HA       CYS  18   8.903   1.122   2.896
  163   1HB   CYS  18          2HB       CYS  18   7.856   1.622   0.560
  164   2HB   CYS  18          1HB       CYS  18   7.524   0.061   1.308
  165    HG   CYS  18           HG       CYS  18   5.470   2.311   0.869
  166    H    LEU  19           H        LEU  19   9.996   2.859   1.726
  167    HA   LEU  19           HA       LEU  19   9.452   5.488   2.847
  168   1HB   LEU  19          2HB       LEU  19  11.575   4.209   1.278
  169   2HB   LEU  19          1HB       LEU  19  11.272   5.875   0.790
  170    HG   LEU  19           HG       LEU  19  11.346   5.421   3.712
  171   1HD1  LEU  19          1HD1      LEU  19  13.814   5.131   1.974
  172   2HD1  LEU  19          2HD1      LEU  19  13.149   3.919   3.069
  173   3HD1  LEU  19          3HD1      LEU  19  13.851   5.401   3.717
  174   1HD2  LEU  19          1HD2      LEU  19  12.920   7.478   3.371
  175   2HD2  LEU  19          2HD2      LEU  19  11.200   7.676   3.041
  176   3HD2  LEU  19          3HD2      LEU  19  12.333   7.448   1.709
  177    H    ALA  20           H        ALA  20   8.717   7.345   1.731
  178    HA   ALA  20           HA       ALA  20   6.766   6.913  -0.346
  179   1HB   ALA  20          1HB       ALA  20   6.644   9.402  -0.416
  180   2HB   ALA  20          2HB       ALA  20   8.050   9.477   0.647
  181   3HB   ALA  20          3HB       ALA  20   6.542   8.770   1.228
  182    H    GLU  21           H        GLU  21  10.188   7.403  -0.444
  183    HA   GLU  21           HA       GLU  21  10.278   8.528  -3.138
  184   1HB   GLU  21          2HB       GLU  21  12.714   8.126  -2.967
  185   2HB   GLU  21          1HB       GLU  21  12.104   8.966  -1.544
  186   1HG   GLU  21          2HG       GLU  21  13.144   7.343  -0.348
  187   2HG   GLU  21          1HG       GLU  21  11.806   6.307  -0.840
  188    H    ASP  22           H        ASP  22   9.861   5.372  -1.820
  189    HA   ASP  22           HA       ASP  22  11.112   3.836  -3.902
  190   1HB   ASP  22          2HB       ASP  22   9.042   3.261  -1.800
  191   2HB   ASP  22          1HB       ASP  22   9.348   2.076  -3.068
  192    H    SER  23           H        SER  23  10.053   2.692  -5.645
  193    HA   SER  23           HA       SER  23   8.013   4.306  -6.982
  194   1HB   SER  23          2HB       SER  23   8.292   2.658  -8.825
  195   2HB   SER  23          1HB       SER  23   9.829   3.337  -8.299
  196    HG   SER  23           HG       SER  23   9.574   0.924  -8.554
  197    H    VAL  24           H        VAL  24   6.069   3.184  -7.978
  198    HA   VAL  24           HA       VAL  24   4.430   2.001  -5.948
  199    HB   VAL  24           HB       VAL  24   4.096   2.022  -8.967
  200   1HG1  VAL  24          1HG1      VAL  24   2.762   0.279  -7.586
  201   2HG1  VAL  24          2HG1      VAL  24   1.854   1.337  -8.664
  202   3HG1  VAL  24          3HG1      VAL  24   1.895   1.667  -6.931
  203   1HG2  VAL  24          1HG2      VAL  24   2.313   3.714  -7.439
  204   2HG2  VAL  24          2HG2      VAL  24   3.441   4.167  -8.716
  205   3HG2  VAL  24          3HG2      VAL  24   3.989   4.089  -7.041
  206    H    GLY  25           H        GLY  25   6.437   0.612  -8.519
  207   1HA   GLY  25          2HA       GLY  25   5.525  -2.092  -8.345
  208   2HA   GLY  25          1HA       GLY  25   7.134  -1.604  -8.882
  209    H    ASP  26           H        ASP  26   8.032  -0.304  -6.541
  210    HA   ASP  26           HA       ASP  26   8.955  -2.505  -4.946
  211   1HB   ASP  26          2HB       ASP  26   9.848  -0.002  -5.258
  212   2HB   ASP  26          1HB       ASP  26   8.891   0.263  -3.802
  213    H    PHE  27           H        PHE  27   6.288  -0.204  -4.582
  214    HA   PHE  27           HA       PHE  27   5.523  -0.853  -1.901
  215   1HB   PHE  27          2HB       PHE  27   4.704   1.110  -3.289
  216   2HB   PHE  27          1HB       PHE  27   3.683  -0.026  -4.168
  217    HD1  PHE  27           HD1      PHE  27   4.028   1.983  -1.198
  218    HD2  PHE  27           HD2      PHE  27   1.995  -1.425  -2.844
  219    HE1  PHE  27           HE1      PHE  27   2.309   2.148   0.578
  220    HE2  PHE  27           HE2      PHE  27   0.277  -1.259  -1.065
  221    HZ   PHE  27           HZ       PHE  27   0.433   0.529   0.645
  222    H    LYS  28           H        LYS  28   4.443  -2.148  -5.054
  223    HA   LYS  28           HA       LYS  28   2.592  -4.061  -3.954
  224   1HB   LYS  28          2HB       LYS  28   4.026  -3.945  -6.624
  225   2HB   LYS  28          1HB       LYS  28   2.769  -5.122  -6.234
  226   1HG   LYS  28          2HG       LYS  28   1.099  -3.581  -6.386
  227   2HG   LYS  28          1HG       LYS  28   2.063  -2.320  -5.623
  228   1HD   LYS  28          2HD       LYS  28   2.467  -1.413  -7.636
  229   2HD   LYS  28          1HD       LYS  28   3.255  -2.904  -8.150
  230   1HE   LYS  28          2HE       LYS  28   1.159  -3.830  -8.915
  231   2HE   LYS  28          1HE       LYS  28   0.254  -2.489  -8.213
  232   1HZ   LYS  28          1HZ       LYS  28   2.339  -2.074 -10.271
  233   2HZ   LYS  28          2HZ       LYS  28   1.121  -0.997  -9.774
  234   3HZ   LYS  28          3HZ       LYS  28   0.722  -2.378 -10.680
  235    H    LYS  29           H        LYS  29   6.067  -4.128  -4.526
  236    HA   LYS  29           HA       LYS  29   6.394  -6.992  -4.357
  237   1HB   LYS  29          2HB       LYS  29   8.269  -4.654  -3.974
  238   2HB   LYS  29          1HB       LYS  29   8.803  -6.316  -3.726
  239   1HG   LYS  29          2HG       LYS  29   8.206  -6.903  -6.007
  240   2HG   LYS  29          1HG       LYS  29   7.503  -5.306  -6.270
  241   1HD   LYS  29          2HD       LYS  29   9.560  -4.271  -6.429
  242   2HD   LYS  29          1HD       LYS  29  10.336  -5.416  -5.333
  243   1HE   LYS  29          2HE       LYS  29  10.643  -7.018  -7.011
  244   2HE   LYS  29          1HE       LYS  29   9.351  -6.360  -8.014
  245   1HZ   LYS  29          1HZ       LYS  29  12.134  -5.587  -7.842
  246   2HZ   LYS  29          2HZ       LYS  29  11.045  -4.282  -7.873
  247   3HZ   LYS  29          3HZ       LYS  29  11.040  -5.427  -9.131
  248    H    VAL  30           H        VAL  30   6.835  -4.370  -1.941
  249    HA   VAL  30           HA       VAL  30   7.400  -6.147   0.257
  250    HB   VAL  30           HB       VAL  30   6.169  -3.370   0.394
  251   1HG1  VAL  30          1HG1      VAL  30   7.898  -4.854   2.393
  252   2HG1  VAL  30          2HG1      VAL  30   6.138  -4.802   2.476
  253   3HG1  VAL  30          3HG1      VAL  30   7.072  -3.316   2.637
  254   1HG2  VAL  30          1HG2      VAL  30   8.261  -3.336  -0.914
  255   2HG2  VAL  30          2HG2      VAL  30   9.085  -4.228   0.365
  256   3HG2  VAL  30          3HG2      VAL  30   8.511  -2.586   0.663
  257    H    LEU  31           H        LEU  31   4.412  -4.723  -1.031
  258    HA   LEU  31           HA       LEU  31   2.656  -5.672   1.034
  259   1HB   LEU  31          2HB       LEU  31   2.173  -3.916  -0.785
  260   2HB   LEU  31          1HB       LEU  31   1.881  -5.280  -1.864
  261    HG   LEU  31           HG       LEU  31   0.245  -6.148  -0.100
  262   1HD1  LEU  31          1HD1      LEU  31   0.964  -4.830   1.805
  263   2HD1  LEU  31          2HD1      LEU  31  -0.677  -4.330   1.389
  264   3HD1  LEU  31          3HD1      LEU  31   0.697  -3.327   0.922
  265   1HD2  LEU  31          1HD2      LEU  31  -1.552  -4.660  -0.880
  266   2HD2  LEU  31          2HD2      LEU  31  -0.457  -5.040  -2.208
  267   3HD2  LEU  31          3HD2      LEU  31  -0.357  -3.473  -1.406
  268    H    SER  32           H        SER  32   3.752  -7.084  -2.048
  269    HA   SER  32           HA       SER  32   2.085  -9.357  -2.179
  270   1HB   SER  32          2HB       SER  32   3.580  -8.797  -4.007
  271   2HB   SER  32          1HB       SER  32   4.992  -9.038  -2.984
  272    HG   SER  32           HG       SER  32   4.856 -10.978  -3.841
  273    H    LEU  33           H        LEU  33   4.831  -8.755  -0.043
  274    HA   LEU  33           HA       LEU  33   5.243 -11.515   0.714
  275   1HB   LEU  33          2HB       LEU  33   6.243  -8.882   1.543
  276   2HB   LEU  33          1HB       LEU  33   6.079 -10.009   2.886
  277    HG   LEU  33           HG       LEU  33   8.319 -10.158   1.836
  278   1HD1  LEU  33          1HD1      LEU  33   6.990 -12.174   2.801
  279   2HD1  LEU  33          2HD1      LEU  33   8.425 -12.509   1.832
  280   3HD1  LEU  33          3HD1      LEU  33   6.820 -12.673   1.118
  281   1HD2  LEU  33          1HD2      LEU  33   8.650 -10.476  -0.414
  282   2HD2  LEU  33          2HD2      LEU  33   7.067  -9.706  -0.520
  283   3HD2  LEU  33          3HD2      LEU  33   7.200 -11.463  -0.595
  284    H    GLN  34           H        GLN  34   3.140  -8.926   1.906
  285    HA   GLN  34           HA       GLN  34   2.270 -10.470   4.242
  286   1HB   GLN  34          2HB       GLN  34   1.426  -7.838   3.024
  287   2HB   GLN  34          1HB       GLN  34   0.546  -8.560   4.370
  288   1HG   GLN  34          2HG       GLN  34   2.051  -7.434   5.657
  289   2HG   GLN  34          1HG       GLN  34   3.124  -8.776   5.259
  290   1HE2  GLN  34          1HE2      GLN  34   2.081  -5.621   3.804
  291   2HE2  GLN  34          2HE2      GLN  34   3.620  -5.233   3.205
  292    H    ILE  35           H        ILE  35   0.759  -9.466   1.140
  293    HA   ILE  35           HA       ILE  35  -1.614 -11.109   1.716
  294    HB   ILE  35           HB       ILE  35  -2.326 -10.372  -0.606
  295   1HG1  ILE  35          2HG1      ILE  35   0.146  -8.623  -0.374
  296   2HG1  ILE  35          1HG1      ILE  35  -0.022  -9.980  -1.486
  297   1HG2  ILE  35          1HG2      ILE  35  -1.550  -8.094   1.224
  298   2HG2  ILE  35          2HG2      ILE  35  -2.888  -9.194   1.562
  299   3HG2  ILE  35          3HG2      ILE  35  -2.927  -8.172   0.125
  300   1HD1  ILE  35          1HD1      ILE  35  -2.232  -8.021  -1.588
  301   2HD1  ILE  35          2HD1      ILE  35  -1.361  -8.805  -2.904
  302   3HD1  ILE  35          3HD1      ILE  35  -0.666  -7.395  -2.105
  303    H    GLY  36           H        GLY  36   1.350 -11.454  -0.140
  304   1HA   GLY  36          2HA       GLY  36   2.206 -13.341  -1.263
  305   2HA   GLY  36          1HA       GLY  36   0.890 -14.281  -0.552
  306    H    THR  37           H        THR  37   0.773 -11.423  -2.660
  307    HA   THR  37           HA       THR  37  -0.931 -12.980  -4.562
  308    HB   THR  37           HB       THR  37  -0.832  -9.972  -4.237
  309    HG1  THR  37           HG1      THR  37  -2.548 -11.865  -2.997
  310   1HG2  THR  37          1HG2      THR  37  -2.233 -11.818  -5.967
  311   2HG2  THR  37          2HG2      THR  37  -2.182 -10.057  -6.024
  312   3HG2  THR  37          3HG2      THR  37  -3.372 -10.873  -5.010
  313    H    GLN  38           H        GLN  38   2.161 -11.655  -4.270
  314    HA   GLN  38           HA       GLN  38   3.876 -11.309  -5.816
  315   1HB   GLN  38          2HB       GLN  38   1.829 -12.611  -7.620
  316   2HB   GLN  38          1HB       GLN  38   3.378 -12.041  -8.234
  317   1HG   GLN  38          2HG       GLN  38   4.037 -14.162  -7.670
  318   2HG   GLN  38          1HG       GLN  38   4.246 -13.421  -6.084
  319   1HE2  GLN  38          1HE2      GLN  38   1.857 -15.270  -8.045
  320   2HE2  GLN  38          2HE2      GLN  38   1.062 -15.948  -6.707
  321    HA   PRO  39           HA       PRO  39   3.063  -7.326  -7.463
  322   1HB   PRO  39          2HB       PRO  39   5.144  -7.111  -9.254
  323   2HB   PRO  39          1HB       PRO  39   5.332  -6.968  -7.497
  324   1HG   PRO  39          2HG       PRO  39   6.040  -9.258  -9.285
  325   2HG   PRO  39          1HG       PRO  39   6.782  -8.756  -7.756
  326   1HD   PRO  39          2HD       PRO  39   4.983 -10.893  -8.054
  327   2HD   PRO  39          1HD       PRO  39   5.387 -10.099  -6.516
  328    H    ASN  40           H        ASN  40   2.875 -10.118  -9.462
  329    HA   ASN  40           HA       ASN  40   2.082  -8.649 -11.894
  330   1HB   ASN  40          2HB       ASN  40   2.691 -11.465 -11.174
  331   2HB   ASN  40          1HB       ASN  40   1.475 -11.241 -12.434
  332   1HD2  ASN  40          1HD2      ASN  40   2.156 -10.196 -14.452
  333   2HD2  ASN  40          2HD2      ASN  40   3.799 -10.010 -14.834
  334    H    LYS  41           H        LYS  41   0.550  -9.983  -9.066
  335    HA   LYS  41           HA       LYS  41  -2.104  -9.769 -10.432
  336   1HB   LYS  41          2HB       LYS  41  -1.236 -12.015  -9.366
  337   2HB   LYS  41          1HB       LYS  41  -1.747 -11.259  -7.857
  338   1HG   LYS  41          2HG       LYS  41  -3.847 -11.927  -8.333
  339   2HG   LYS  41          1HG       LYS  41  -3.844 -10.759  -9.654
  340   1HD   LYS  41          2HD       LYS  41  -3.274 -12.364 -11.254
  341   2HD   LYS  41          1HD       LYS  41  -2.582 -13.458 -10.055
  342   1HE   LYS  41          2HE       LYS  41  -4.588 -14.423  -9.609
  343   2HE   LYS  41          1HE       LYS  41  -5.431 -12.876  -9.617
  344   1HZ   LYS  41          1HZ       LYS  41  -6.263 -13.537 -11.556
  345   2HZ   LYS  41          2HZ       LYS  41  -5.147 -14.807 -11.718
  346   3HZ   LYS  41          3HZ       LYS  41  -4.733 -13.237 -12.223
  347    H    ILE  42           H        ILE  42  -0.248  -7.840  -8.621
  348    HA   ILE  42           HA       ILE  42  -2.442  -7.043  -6.754
  349    HB   ILE  42           HB       ILE  42   0.524  -6.393  -6.735
  350   1HG1  ILE  42          2HG1      ILE  42  -1.171  -7.757  -4.624
  351   2HG1  ILE  42          1HG1      ILE  42  -0.338  -8.657  -5.892
  352   1HG2  ILE  42          1HG2      ILE  42  -0.487  -4.405  -5.948
  353   2HG2  ILE  42          2HG2      ILE  42  -0.171  -5.317  -4.471
  354   3HG2  ILE  42          3HG2      ILE  42  -1.796  -5.280  -5.155
  355   1HD1  ILE  42          1HD1      ILE  42   1.080  -6.709  -4.058
  356   2HD1  ILE  42          2HD1      ILE  42   1.811  -7.890  -5.145
  357   3HD1  ILE  42          3HD1      ILE  42   0.945  -8.432  -3.708
  358    H    VAL  43           H        VAL  43  -3.537  -5.191  -7.156
  359    HA   VAL  43           HA       VAL  43  -2.378  -3.227  -9.097
  360    HB   VAL  43           HB       VAL  43  -5.299  -4.035  -8.833
  361   1HG1  VAL  43          1HG1      VAL  43  -4.355  -2.489 -11.171
  362   2HG1  VAL  43          2HG1      VAL  43  -4.313  -1.613  -9.641
  363   3HG1  VAL  43          3HG1      VAL  43  -5.828  -2.305 -10.219
  364   1HG2  VAL  43          1HG2      VAL  43  -3.120  -4.765 -10.788
  365   2HG2  VAL  43          2HG2      VAL  43  -4.808  -4.749 -11.298
  366   3HG2  VAL  43          3HG2      VAL  43  -4.290  -5.819  -9.994
  367    H    LEU  44           H        LEU  44  -1.939  -1.402  -7.925
  368    HA   LEU  44           HA       LEU  44  -3.613  -0.786  -5.542
  369   1HB   LEU  44          2HB       LEU  44  -0.829  -0.307  -6.313
  370   2HB   LEU  44          1HB       LEU  44  -1.612   1.138  -5.675
  371    HG   LEU  44           HG       LEU  44  -2.475  -0.868  -3.953
  372   1HD1  LEU  44          1HD1      LEU  44   0.484  -1.241  -4.499
  373   2HD1  LEU  44          2HD1      LEU  44  -0.769  -2.372  -5.010
  374   3HD1  LEU  44          3HD1      LEU  44  -0.479  -2.092  -3.292
  375   1HD2  LEU  44          1HD2      LEU  44  -1.016   0.250  -2.332
  376   2HD2  LEU  44          2HD2      LEU  44  -1.739   1.451  -3.401
  377   3HD2  LEU  44          3HD2      LEU  44  -0.065   0.953  -3.640
  378    H    GLN  45           H        GLN  45  -4.773   1.142  -5.353
  379    HA   GLN  45           HA       GLN  45  -4.806   2.955  -7.732
  380   1HB   GLN  45          2HB       GLN  45  -7.336   2.280  -6.230
  381   2HB   GLN  45          1HB       GLN  45  -7.162   2.967  -7.843
  382   1HG   GLN  45          2HG       GLN  45  -5.856   0.571  -8.137
  383   2HG   GLN  45          1HG       GLN  45  -7.121   0.141  -6.986
  384   1HE2  GLN  45          1HE2      GLN  45  -6.500   1.116 -10.311
  385   2HE2  GLN  45          2HE2      GLN  45  -8.105   0.975 -10.850
  386    H    LYS  46           H        LYS  46  -4.816   5.120  -7.194
  387    HA   LYS  46           HA       LYS  46  -4.609   5.819  -4.336
  388   1HB   LYS  46          2HB       LYS  46  -3.847   7.040  -6.901
  389   2HB   LYS  46          1HB       LYS  46  -4.502   8.198  -5.744
  390   1HG   LYS  46          2HG       LYS  46  -2.459   6.198  -4.820
  391   2HG   LYS  46          1HG       LYS  46  -1.929   7.629  -5.706
  392   1HD   LYS  46          2HD       LYS  46  -2.818   9.108  -4.073
  393   2HD   LYS  46          1HD       LYS  46  -3.791   7.835  -3.336
  394   1HE   LYS  46          2HE       LYS  46  -1.341   6.736  -3.037
  395   2HE   LYS  46          1HE       LYS  46  -0.898   8.443  -2.998
  396   1HZ   LYS  46          1HZ       LYS  46  -2.022   8.789  -1.076
  397   2HZ   LYS  46          2HZ       LYS  46  -1.674   7.143  -0.851
  398   3HZ   LYS  46          3HZ       LYS  46  -3.207   7.623  -1.407
  399    H    GLY  47           H        GLY  47  -6.408   7.362  -7.028
  400   1HA   GLY  47          2HA       GLY  47  -8.892   7.337  -5.416
  401   2HA   GLY  47          1HA       GLY  47  -8.242   8.923  -5.841
  402    H    GLY  48           H        GLY  48  -9.171   5.817  -7.334
  403   1HA   GLY  48          2HA       GLY  48 -10.478   5.466  -9.278
  404   2HA   GLY  48          1HA       GLY  48 -10.599   7.216  -9.479
  405    H    SER  49           H        SER  49  -7.529   5.539  -9.049
  406    HA   SER  49           HA       SER  49  -6.907   5.563 -11.921
  407   1HB   SER  49          2HB       SER  49  -4.914   7.046 -11.607
  408   2HB   SER  49          1HB       SER  49  -6.441   7.889 -11.371
  409    HG   SER  49           HG       SER  49  -5.000   8.373  -9.694
  410    H    VAL  50           H        VAL  50  -5.404   3.989 -12.369
  411    HA   VAL  50           HA       VAL  50  -4.478   2.315 -10.157
  412    HB   VAL  50           HB       VAL  50  -5.256   1.392 -12.367
  413   1HG1  VAL  50          1HG1      VAL  50  -3.625   3.296 -13.473
  414   2HG1  VAL  50          2HG1      VAL  50  -4.219   1.877 -14.334
  415   3HG1  VAL  50          3HG1      VAL  50  -2.615   1.856 -13.605
  416   1HG2  VAL  50          1HG2      VAL  50  -3.649   0.238 -10.703
  417   2HG2  VAL  50          2HG2      VAL  50  -2.376   0.636 -11.855
  418   3HG2  VAL  50          3HG2      VAL  50  -3.711  -0.407 -12.343
  419    H    LEU  51           H        LEU  51  -2.385   2.113  -9.404
  420    HA   LEU  51           HA       LEU  51  -0.514   4.283 -10.131
  421   1HB   LEU  51          2HB       LEU  51  -0.070   2.126  -8.052
  422   2HB   LEU  51          1HB       LEU  51   0.687   3.715  -8.144
  423    HG   LEU  51           HG       LEU  51  -2.249   3.171  -7.585
  424   1HD1  LEU  51          1HD1      LEU  51  -1.826   3.684  -5.358
  425   2HD1  LEU  51          2HD1      LEU  51  -0.360   4.587  -5.735
  426   3HD1  LEU  51          3HD1      LEU  51  -0.348   2.823  -5.789
  427   1HD2  LEU  51          1HD2      LEU  51  -2.669   5.420  -7.750
  428   2HD2  LEU  51          2HD2      LEU  51  -1.309   5.367  -8.870
  429   3HD2  LEU  51          3HD2      LEU  51  -1.055   5.868  -7.198
  430    H    LYS  52           H        LYS  52   1.602   3.872 -10.934
  431    HA   LYS  52           HA       LYS  52   2.045   1.109 -12.006
  432   1HB   LYS  52          2HB       LYS  52   1.500   3.424 -13.487
  433   2HB   LYS  52          1HB       LYS  52   3.248   3.220 -13.616
  434   1HG   LYS  52          2HG       LYS  52   2.972   1.516 -15.063
  435   2HG   LYS  52          1HG       LYS  52   1.978   0.648 -13.891
  436   1HD   LYS  52          2HD       LYS  52   0.013   2.002 -14.609
  437   2HD   LYS  52          1HD       LYS  52   1.015   2.771 -15.836
  438   1HE   LYS  52          2HE       LYS  52   1.255   0.780 -17.068
  439   2HE   LYS  52          1HE       LYS  52   0.813  -0.232 -15.695
  440   1HZ   LYS  52          1HZ       LYS  52  -1.162  -0.269 -16.732
  441   2HZ   LYS  52          2HZ       LYS  52  -0.880   1.174 -17.589
  442   3HZ   LYS  52          3HZ       LYS  52  -1.395   1.230 -15.971
  443    H    ASP  53           H        ASP  53   4.238   0.436 -12.143
  444    HA   ASP  53           HA       ASP  53   5.999   1.388 -10.102
  445   1HB   ASP  53          2HB       ASP  53   6.225  -0.884 -10.889
  446   2HB   ASP  53          1HB       ASP  53   6.509  -0.339 -12.541
  447    H    HIS  54           H        HIS  54   5.545   2.351 -13.438
  448    HA   HIS  54           HA       HIS  54   8.047   3.683 -13.865
  449   1HB   HIS  54          2HB       HIS  54   5.350   3.696 -15.109
  450   2HB   HIS  54          1HB       HIS  54   6.313   5.150 -15.365
  451    HD1  HIS  54           HD1      HIS  54   8.424   4.945 -16.828
  452    HD2  HIS  54           HD2      HIS  54   6.480   1.305 -16.239
  453    HE1  HIS  54           HE1      HIS  54   9.467   3.305 -18.452
  454    H    ILE  55           H        ILE  55   5.447   4.435 -11.740
  455    HA   ILE  55           HA       ILE  55   6.412   7.260 -11.511
  456    HB   ILE  55           HB       ILE  55   3.687   6.119 -10.808
  457   1HG1  ILE  55          2HG1      ILE  55   3.255   8.011 -12.711
  458   2HG1  ILE  55          1HG1      ILE  55   4.833   7.415 -13.224
  459   1HG2  ILE  55          1HG2      ILE  55   4.914   8.872 -10.581
  460   2HG2  ILE  55          2HG2      ILE  55   4.099   7.935  -9.329
  461   3HG2  ILE  55          3HG2      ILE  55   3.168   8.636 -10.651
  462   1HD1  ILE  55          1HD1      ILE  55   2.588   6.240 -14.044
  463   2HD1  ILE  55          2HD1      ILE  55   2.744   5.399 -12.501
  464   3HD1  ILE  55          3HD1      ILE  55   4.037   5.295 -13.696
  465    H    SER  56           H        SER  56   6.959   8.000  -9.456
  466    HA   SER  56           HA       SER  56   7.516   5.939  -7.443
  467   1HB   SER  56          2HB       SER  56   8.782   8.276  -8.149
  468   2HB   SER  56          1HB       SER  56   7.937   8.753  -6.678
  469    HG   SER  56           HG       SER  56  10.102   7.764  -6.452
  470    H    LEU  57           H        LEU  57   6.773   6.089  -5.221
  471    HA   LEU  57           HA       LEU  57   3.969   6.558  -4.933
  472   1HB   LEU  57          2HB       LEU  57   6.154   6.317  -2.840
  473   2HB   LEU  57          1HB       LEU  57   4.430   6.328  -2.470
  474    HG   LEU  57           HG       LEU  57   5.583   4.375  -4.462
  475   1HD1  LEU  57          1HD1      LEU  57   6.647   4.356  -2.053
  476   2HD1  LEU  57          2HD1      LEU  57   6.122   2.839  -2.787
  477   3HD1  LEU  57          3HD1      LEU  57   5.104   3.639  -1.589
  478   1HD2  LEU  57          1HD2      LEU  57   3.559   3.190  -4.108
  479   2HD2  LEU  57          2HD2      LEU  57   3.060   4.881  -4.149
  480   3HD2  LEU  57          3HD2      LEU  57   3.222   4.047  -2.603
  481    H    GLU  58           H        GLU  58   6.778   8.624  -4.359
  482    HA   GLU  58           HA       GLU  58   5.476  10.686  -2.856
  483   1HB   GLU  58          2HB       GLU  58   8.016  10.307  -3.388
  484   2HB   GLU  58          1HB       GLU  58   7.678  11.271  -4.825
  485   1HG   GLU  58          2HG       GLU  58   8.183  12.999  -3.400
  486   2HG   GLU  58          1HG       GLU  58   6.478  12.829  -2.981
  487    H    ASP  59           H        ASP  59   5.744  10.075  -6.341
  488    HA   ASP  59           HA       ASP  59   4.644  12.583  -7.225
  489   1HB   ASP  59          2HB       ASP  59   4.709   9.840  -8.517
  490   2HB   ASP  59          1HB       ASP  59   4.141  11.291  -9.340
  491    H    TYR  60           H        TYR  60   3.172   9.405  -6.535
  492    HA   TYR  60           HA       TYR  60   0.472  10.247  -7.166
  493   1HB   TYR  60          2HB       TYR  60   1.668   7.879  -5.734
  494   2HB   TYR  60          1HB       TYR  60  -0.077   8.129  -5.757
  495    HD1  TYR  60           HD1      TYR  60   2.421   6.386  -7.347
  496    HD2  TYR  60           HD2      TYR  60  -0.872   8.983  -8.289
  497    HE1  TYR  60           HE1      TYR  60   2.317   5.429  -9.631
  498    HE2  TYR  60           HE2      TYR  60  -0.973   8.025 -10.572
  499    HH   TYR  60           HH       TYR  60  -0.307   6.147 -11.814
  500    H    GLU  61           H        GLU  61   2.525  10.757  -4.453
  501    HA   GLU  61           HA       GLU  61   2.141  12.102  -2.568
  502   1HB   GLU  61          2HB       GLU  61   0.059  12.910  -4.023
  503   2HB   GLU  61          1HB       GLU  61  -0.838  11.962  -2.837
  504   1HG   GLU  61          2HG       GLU  61   1.260  13.793  -1.777
  505   2HG   GLU  61          1HG       GLU  61  -0.197  14.545  -2.426
  506    H    VAL  62           H        VAL  62   2.897   9.932  -1.783
  507    HA   VAL  62           HA       VAL  62   0.775   8.537  -0.198
  508    HB   VAL  62           HB       VAL  62   3.478   7.506  -1.139
  509   1HG1  VAL  62          1HG1      VAL  62   1.226   5.976   0.193
  510   2HG1  VAL  62          2HG1      VAL  62   2.612   6.614   1.078
  511   3HG1  VAL  62          3HG1      VAL  62   2.851   5.395  -0.174
  512   1HG2  VAL  62          1HG2      VAL  62   1.448   7.826  -2.786
  513   2HG2  VAL  62          2HG2      VAL  62   0.796   6.411  -1.958
  514   3HG2  VAL  62          3HG2      VAL  62   2.343   6.307  -2.799
  515    H    HIS  63           H        HIS  63   0.821   9.558   1.772
  516    HA   HIS  63           HA       HIS  63   3.472  10.167   3.002
  517   1HB   HIS  63          2HB       HIS  63   0.764  11.370   3.158
  518   2HB   HIS  63          1HB       HIS  63   1.671  11.331   4.669
  519    HD1  HIS  63           HD1      HIS  63   2.158  12.432   1.050
  520    HD2  HIS  63           HD2      HIS  63   3.590  13.322   4.863
  521    HE1  HIS  63           HE1      HIS  63   3.692  14.429   0.791
  522    H    ASP  64           H        ASP  64   3.188  10.070   5.588
  523    HA   ASP  64           HA       ASP  64   2.992   7.286   6.266
  524   1HB   ASP  64          2HB       ASP  64   4.247   9.314   7.442
  525   2HB   ASP  64          1HB       ASP  64   2.755   9.397   8.380
  526    H    GLN  65           H        GLN  65   1.322   6.120   7.142
  527    HA   GLN  65           HA       GLN  65  -0.854   5.553   7.774
  528   1HB   GLN  65          2HB       GLN  65  -0.223   7.981   9.157
  529   2HB   GLN  65          1HB       GLN  65  -1.909   8.062   8.648
  530   1HG   GLN  65          2HG       GLN  65  -1.839   6.989  10.816
  531   2HG   GLN  65          1HG       GLN  65  -2.235   5.759   9.616
  532   1HE2  GLN  65          1HE2      GLN  65   0.552   7.094  11.467
  533   2HE2  GLN  65          2HE2      GLN  65   1.451   5.654  11.436
  534    H    THR  66           H        THR  66  -0.361   6.393   5.050
  535    HA   THR  66           HA       THR  66  -2.766   7.960   4.303
  536    HB   THR  66           HB       THR  66  -0.520   8.362   3.207
  537    HG1  THR  66           HG1      THR  66  -1.814   9.109   1.762
  538   1HG2  THR  66          1HG2      THR  66   0.406   6.799   1.704
  539   2HG2  THR  66          2HG2      THR  66  -1.071   5.837   1.655
  540   3HG2  THR  66          3HG2      THR  66  -0.054   5.820   3.096
  541    H    ASN  67           H        ASN  67  -4.455   7.075   3.022
  542    HA   ASN  67           HA       ASN  67  -4.699   4.119   3.230
  543   1HB   ASN  67          2HB       ASN  67  -6.623   6.400   3.006
  544   2HB   ASN  67          1HB       ASN  67  -7.125   4.826   2.391
  545   1HD2  ASN  67          1HD2      ASN  67  -7.116   2.986   3.968
  546   2HD2  ASN  67          2HD2      ASN  67  -7.252   3.307   5.629
  547    H    LEU  68           H        LEU  68  -4.830   2.810   1.453
  548    HA   LEU  68           HA       LEU  68  -4.929   4.084  -1.250
  549   1HB   LEU  68          2HB       LEU  68  -2.858   2.299  -0.076
  550   2HB   LEU  68          1HB       LEU  68  -3.337   1.955  -1.739
  551    HG   LEU  68           HG       LEU  68  -2.725   4.786  -0.936
  552   1HD1  LEU  68          1HD1      LEU  68  -0.832   3.305  -0.165
  553   2HD1  LEU  68          2HD1      LEU  68  -0.374   4.470  -1.407
  554   3HD1  LEU  68          3HD1      LEU  68  -0.638   2.780  -1.837
  555   1HD2  LEU  68          1HD2      LEU  68  -2.190   5.005  -3.281
  556   2HD2  LEU  68          2HD2      LEU  68  -3.716   4.125  -3.177
  557   3HD2  LEU  68          3HD2      LEU  68  -2.217   3.257  -3.505
  558    H    GLU  69           H        GLU  69  -5.567   2.483  -2.962
  559    HA   GLU  69           HA       GLU  69  -7.576   0.568  -1.868
  560   1HB   GLU  69          2HB       GLU  69  -7.783   2.493  -3.855
  561   2HB   GLU  69          1HB       GLU  69  -7.575   1.000  -4.770
  562   1HG   GLU  69          2HG       GLU  69  -9.443   0.785  -2.492
  563   2HG   GLU  69          1HG       GLU  69  -9.974   1.876  -3.771
  564    H    LEU  70           H        LEU  70  -7.521  -1.615  -2.441
  565    HA   LEU  70           HA       LEU  70  -5.109  -2.512  -3.975
  566   1HB   LEU  70          2HB       LEU  70  -5.089  -3.084  -1.527
  567   2HB   LEU  70          1HB       LEU  70  -6.554  -4.029  -1.781
  568    HG   LEU  70           HG       LEU  70  -5.365  -5.450  -3.412
  569   1HD1  LEU  70          1HD1      LEU  70  -2.682  -4.988  -3.051
  570   2HD1  LEU  70          2HD1      LEU  70  -3.322  -3.345  -3.079
  571   3HD1  LEU  70          3HD1      LEU  70  -3.611  -4.428  -4.441
  572   1HD2  LEU  70          1HD2      LEU  70  -3.835  -6.558  -1.806
  573   2HD2  LEU  70          2HD2      LEU  70  -5.354  -6.099  -1.036
  574   3HD2  LEU  70          3HD2      LEU  70  -3.903  -5.133  -0.771
  575    H    TYR  71           H        TYR  71  -5.405  -4.123  -5.517
  576    HA   TYR  71           HA       TYR  71  -8.113  -5.273  -5.894
  577   1HB   TYR  71          2HB       TYR  71  -7.036  -3.127  -7.489
  578   2HB   TYR  71          1HB       TYR  71  -7.181  -4.574  -8.486
  579    HD1  TYR  71           HD1      TYR  71  -9.438  -5.938  -8.146
  580    HD2  TYR  71           HD2      TYR  71  -8.920  -1.776  -7.216
  581    HE1  TYR  71           HE1      TYR  71 -11.891  -5.605  -8.280
  582    HE2  TYR  71           HE2      TYR  71 -11.374  -1.442  -7.351
  583    HH   TYR  71           HH       TYR  71 -13.378  -3.070  -8.799
  584    H    TYR  72           H        TYR  72  -8.049  -7.303  -6.940
  585    HA   TYR  72           HA       TYR  72  -5.306  -8.418  -7.268
  586   1HB   TYR  72          2HB       TYR  72  -7.978  -9.795  -6.864
  587   2HB   TYR  72          1HB       TYR  72  -6.445 -10.636  -7.087
  588    HD1  TYR  72           HD1      TYR  72  -4.532  -9.084  -5.559
  589    HD2  TYR  72           HD2      TYR  72  -8.614 -10.034  -4.613
  590    HE1  TYR  72           HE1      TYR  72  -4.034  -8.811  -3.148
  591    HE2  TYR  72           HE2      TYR  72  -8.115  -9.760  -2.198
  592    HH   TYR  72           HH       TYR  72  -5.938  -8.196  -0.937
  593    H    LEU  73           HN       LEU  73  -4.668  -8.154  -9.346
  594    HA   LEU  73           HA       LEU  73  -6.235  -9.467 -11.464
  595   1HB   LEU  73          2HB       LEU  73  -6.536  -6.709 -11.079
  596   2HB   LEU  73          1HB       LEU  73  -5.386  -6.841 -12.410
  597    HG   LEU  73           HG       LEU  73  -7.445  -8.788 -12.823
  598   1HD1  LEU  73          1HD1      LEU  73  -9.434  -7.427 -12.913
  599   2HD1  LEU  73          2HD1      LEU  73  -8.526  -5.975 -12.494
  600   3HD1  LEU  73          3HD1      LEU  73  -8.752  -7.250 -11.296
  601   1HD2  LEU  73          1HD2      LEU  73  -7.417  -6.271 -14.406
  602   2HD2  LEU  73          2HD2      LEU  73  -7.342  -7.946 -14.954
  603   3HD2  LEU  73          3HD2      LEU  73  -5.893  -7.156 -14.337
  Start of MODEL    9
    1    H    MET   1           1H       MET   1  10.423   6.904   6.888
    2    HA   MET   1           HA       MET   1   9.550   5.271   4.598
    3   1HB   MET   1          2HB       MET   1  11.071   4.253   6.771
    4   2HB   MET   1          1HB       MET   1   9.395   3.777   7.052
    5   1HG   MET   1          2HG       MET   1   9.270   2.543   5.088
    6   2HG   MET   1          1HG       MET   1  10.534   3.483   4.296
    7   1HE   MET   1          1HE       MET   1  12.434   1.742   3.534
    8   2HE   MET   1          2HE       MET   1  10.813   1.047   3.535
    9   3HE   MET   1          3HE       MET   1  12.168   0.112   4.165
   10    H    ILE   2           H        ILE   2   7.321   4.920   4.694
   11    HA   ILE   2           HA       ILE   2   5.882   6.179   6.996
   12    HB   ILE   2           HB       ILE   2   4.122   6.886   5.389
   13   1HG1  ILE   2          2HG1      ILE   2   6.003   6.399   3.107
   14   2HG1  ILE   2          1HG1      ILE   2   5.038   5.045   3.692
   15   1HG2  ILE   2          1HG2      ILE   2   6.783   7.935   4.426
   16   2HG2  ILE   2          2HG2      ILE   2   6.176   8.304   6.041
   17   3HG2  ILE   2          3HG2      ILE   2   5.262   8.808   4.620
   18   1HD1  ILE   2          1HD1      ILE   2   3.069   6.805   3.578
   19   2HD1  ILE   2          2HD1      ILE   2   3.588   5.954   2.124
   20   3HD1  ILE   2          3HD1      ILE   2   4.135   7.604   2.422
   21    H    GLU   3           H        GLU   3   3.638   5.328   7.258
   22    HA   GLU   3           HA       GLU   3   3.508   2.432   6.510
   23   1HB   GLU   3          2HB       GLU   3   3.571   3.444   9.027
   24   2HB   GLU   3          1HB       GLU   3   1.833   3.471   8.735
   25   1HG   GLU   3          2HG       GLU   3   3.529   1.024   8.198
   26   2HG   GLU   3          1HG       GLU   3   2.758   1.319   9.756
   27    H    VAL   4           H        VAL   4   1.933   1.985   5.037
   28    HA   VAL   4           HA       VAL   4  -0.404   3.852   4.879
   29    HB   VAL   4           HB       VAL   4  -0.583   3.240   2.504
   30   1HG1  VAL   4          1HG1      VAL   4   2.300   3.852   2.611
   31   2HG1  VAL   4          2HG1      VAL   4   1.303   4.885   3.637
   32   3HG1  VAL   4          3HG1      VAL   4   0.976   4.780   1.908
   33   1HG2  VAL   4          1HG2      VAL   4   0.678   1.605   1.485
   34   2HG2  VAL   4          2HG2      VAL   4   0.662   0.933   3.113
   35   3HG2  VAL   4          3HG2      VAL   4   2.059   1.851   2.553
   36    H    VAL   5           H        VAL   5  -2.490   2.921   4.504
   37    HA   VAL   5           HA       VAL   5  -2.686   0.067   5.377
   38    HB   VAL   5           HB       VAL   5  -4.899   2.142   5.385
   39   1HG1  VAL   5          1HG1      VAL   5  -4.526  -0.649   6.415
   40   2HG1  VAL   5          2HG1      VAL   5  -5.934   0.080   5.641
   41   3HG1  VAL   5          3HG1      VAL   5  -5.560   0.456   7.323
   42   1HG2  VAL   5          1HG2      VAL   5  -3.481   3.133   6.928
   43   2HG2  VAL   5          2HG2      VAL   5  -2.682   1.613   7.328
   44   3HG2  VAL   5          3HG2      VAL   5  -4.282   1.966   7.978
   45    H    VAL   6           H        VAL   6  -3.171  -1.353   3.774
   46    HA   VAL   6           HA       VAL   6  -4.557  -0.312   1.332
   47    HB   VAL   6           HB       VAL   6  -2.888  -2.830   1.636
   48   1HG1  VAL   6          1HG1      VAL   6  -4.400  -1.528  -0.589
   49   2HG1  VAL   6          2HG1      VAL   6  -4.170  -3.241  -0.238
   50   3HG1  VAL   6          3HG1      VAL   6  -2.869  -2.312  -0.983
   51   1HG2  VAL   6          1HG2      VAL   6  -2.180  -0.105   0.496
   52   2HG2  VAL   6          2HG2      VAL   6  -1.172  -1.545   0.356
   53   3HG2  VAL   6          3HG2      VAL   6  -1.487  -0.841   1.942
   54    H    ASN   7           H        ASN   7  -6.629  -0.980   1.040
   55    HA   ASN   7           HA       ASN   7  -7.468  -3.551   2.313
   56   1HB   ASN   7          2HB       ASN   7  -9.718  -2.433   2.713
   57   2HB   ASN   7          1HB       ASN   7  -8.397  -1.854   3.724
   58   1HD2  ASN   7          1HD2      ASN   7  -7.399   0.272   3.101
   59   2HD2  ASN   7          2HD2      ASN   7  -8.308   1.388   2.202
   60    H    ASP   8           H        ASP   8  -8.425  -4.929   0.913
   61    HA   ASP   8           HA       ASP   8  -8.805  -4.165  -1.866
   62   1HB   ASP   8          2HB       ASP   8  -8.191  -6.509  -0.724
   63   2HB   ASP   8          1HB       ASP   8  -9.939  -6.721  -0.818
   64    H    ARG   9           H        ARG   9 -10.768  -4.034  -3.010
   65    HA   ARG   9           HA       ARG   9 -13.011  -2.920  -1.598
   66   1HB   ARG   9          2HB       ARG   9 -12.384  -2.450  -4.002
   67   2HB   ARG   9          1HB       ARG   9 -13.010  -4.046  -4.413
   68   1HG   ARG   9          2HG       ARG   9 -15.171  -3.376  -4.234
   69   2HG   ARG   9          1HG       ARG   9 -14.851  -2.442  -2.772
   70   1HD   ARG   9          2HD       ARG   9 -13.566  -1.232  -5.078
   71   2HD   ARG   9          1HD       ARG   9 -15.301  -1.412  -5.342
   72    HE   ARG   9           HE       ARG   9 -15.589  -0.195  -3.128
   73   1HH1  ARG   9          2HH1      ARG   9 -14.836   1.823  -5.091
   74   2HH1  ARG   9          1HH1      ARG   9 -13.430   2.563  -4.401
   75   1HH2  ARG   9          1HH2      ARG   9 -12.841  -0.023  -2.159
   76   2HH2  ARG   9          2HH2      ARG   9 -12.304   1.519  -2.734
   77    H    LEU  10           H        LEU  10 -12.313  -6.185  -2.810
   78    HA   LEU  10           HA       LEU  10 -14.933  -7.286  -2.551
   79   1HB   LEU  10          2HB       LEU  10 -12.156  -8.374  -2.640
   80   2HB   LEU  10          1HB       LEU  10 -13.414  -9.440  -2.014
   81    HG   LEU  10           HG       LEU  10 -14.585  -8.288  -4.266
   82   1HD1  LEU  10          1HD1      LEU  10 -12.864  -8.785  -6.044
   83   2HD1  LEU  10          2HD1      LEU  10 -11.661  -8.916  -4.763
   84   3HD1  LEU  10          3HD1      LEU  10 -12.484  -7.384  -5.045
   85   1HD2  LEU  10          1HD2      LEU  10 -14.775 -10.489  -4.956
   86   2HD2  LEU  10          2HD2      LEU  10 -14.328 -10.759  -3.272
   87   3HD2  LEU  10          3HD2      LEU  10 -13.105 -10.877  -4.538
   88    H    GLY  11           H        GLY  11 -12.217  -7.240  -0.221
   89   1HA   GLY  11          2HA       GLY  11 -13.454  -6.623   2.120
   90   2HA   GLY  11          1HA       GLY  11 -13.918  -8.315   1.928
   91    H    LYS  12           H        LYS  12 -11.041  -6.205   1.920
   92    HA   LYS  12           HA       LYS  12  -9.585  -8.201   3.539
   93   1HB   LYS  12          2HB       LYS  12  -9.323  -8.413   0.844
   94   2HB   LYS  12          1HB       LYS  12  -8.047  -7.246   1.189
   95   1HG   LYS  12          2HG       LYS  12  -7.338  -8.859   3.073
   96   2HG   LYS  12          1HG       LYS  12  -8.364 -10.045   2.267
   97   1HD   LYS  12          2HD       LYS  12  -6.569 -10.500   0.968
   98   2HD   LYS  12          1HD       LYS  12  -6.896  -8.957   0.178
   99   1HE   LYS  12          2HE       LYS  12  -5.261  -9.079   2.708
  100   2HE   LYS  12          1HE       LYS  12  -4.514  -9.350   1.135
  101   1HZ   LYS  12          1HZ       LYS  12  -5.882  -7.147   0.613
  102   2HZ   LYS  12          2HZ       LYS  12  -4.299  -7.117   1.229
  103   3HZ   LYS  12          3HZ       LYS  12  -5.622  -6.907   2.272
  104    H    LYS  13           H        LYS  13  -7.746  -7.264   4.630
  105    HA   LYS  13           HA       LYS  13  -7.147  -4.413   4.119
  106   1HB   LYS  13          2HB       LYS  13  -9.136  -4.763   5.827
  107   2HB   LYS  13          1HB       LYS  13  -7.825  -5.138   6.949
  108   1HG   LYS  13          2HG       LYS  13  -6.920  -3.000   6.826
  109   2HG   LYS  13          1HG       LYS  13  -7.606  -2.691   5.232
  110   1HD   LYS  13          2HD       LYS  13  -9.582  -1.947   6.084
  111   2HD   LYS  13          1HD       LYS  13  -9.600  -3.156   7.360
  112   1HE   LYS  13          2HE       LYS  13  -9.101  -1.443   8.752
  113   2HE   LYS  13          1HE       LYS  13  -7.468  -1.579   8.100
  114   1HZ   LYS  13          1HZ       LYS  13  -9.347   0.519   7.785
  115   2HZ   LYS  13          2HZ       LYS  13  -8.891  -0.092   6.260
  116   3HZ   LYS  13          3HZ       LYS  13  -7.709   0.472   7.346
  117    H    VAL  14           H        VAL  14  -4.992  -4.173   4.249
  118    HA   VAL  14           HA       VAL  14  -3.446  -5.695   6.281
  119    HB   VAL  14           HB       VAL  14  -1.687  -6.114   4.480
  120   1HG1  VAL  14          1HG1      VAL  14  -2.610  -8.202   3.962
  121   2HG1  VAL  14          2HG1      VAL  14  -4.239  -7.550   3.796
  122   3HG1  VAL  14          3HG1      VAL  14  -3.528  -7.746   5.397
  123   1HG2  VAL  14          1HG2      VAL  14  -2.586  -4.519   2.810
  124   2HG2  VAL  14          2HG2      VAL  14  -4.048  -5.494   2.672
  125   3HG2  VAL  14          3HG2      VAL  14  -2.499  -6.151   2.146
  126    H    ARG  15           H        ARG  15  -1.280  -4.733   6.645
  127    HA   ARG  15           HA       ARG  15  -1.176  -1.848   5.842
  128   1HB   ARG  15          2HB       ARG  15  -0.872  -3.170   8.471
  129   2HB   ARG  15          1HB       ARG  15   0.368  -1.970   8.102
  130   1HG   ARG  15          2HG       ARG  15  -1.267  -0.257   7.739
  131   2HG   ARG  15          1HG       ARG  15  -2.589  -1.423   7.766
  132   1HD   ARG  15          2HD       ARG  15  -1.457  -1.915  10.189
  133   2HD   ARG  15          1HD       ARG  15  -1.108  -0.196  10.019
  134    HE   ARG  15           HE       ARG  15  -3.521   0.214   9.859
  135   1HH1  ARG  15          1HH2      ARG  15  -2.865  -1.706  12.273
  136   2HH1  ARG  15          2HH2      ARG  15  -4.243  -2.750  12.188
  137   1HH2  ARG  15          2HH1      ARG  15  -5.170  -1.699   9.006
  138   2HH2  ARG  15          1HH1      ARG  15  -5.555  -2.743  10.334
  139    H    VAL  16           H        VAL  16   0.695  -1.169   4.889
  140    HA   VAL  16           HA       VAL  16   3.099  -2.917   5.014
  141    HB   VAL  16           HB       VAL  16   1.873  -3.514   2.956
  142   1HG1  VAL  16          1HG1      VAL  16   0.593  -1.561   2.484
  143   2HG1  VAL  16          2HG1      VAL  16   1.743  -1.706   1.156
  144   3HG1  VAL  16          3HG1      VAL  16   2.029  -0.539   2.444
  145   1HG2  VAL  16          1HG2      VAL  16   4.315  -3.567   2.877
  146   2HG2  VAL  16          2HG2      VAL  16   4.365  -1.854   2.463
  147   3HG2  VAL  16          3HG2      VAL  16   3.684  -3.018   1.325
  148    H    LYS  17           H        LYS  17   4.997  -1.746   5.101
  149    HA   LYS  17           HA       LYS  17   4.696   1.224   5.062
  150   1HB   LYS  17          2HB       LYS  17   6.803   1.199   6.453
  151   2HB   LYS  17          1HB       LYS  17   5.406   0.450   7.222
  152   1HG   LYS  17          2HG       LYS  17   6.551  -1.469   7.452
  153   2HG   LYS  17          1HG       LYS  17   6.761  -1.562   5.705
  154   1HD   LYS  17          2HD       LYS  17   8.629   0.292   6.241
  155   2HD   LYS  17          1HD       LYS  17   8.633  -0.553   7.789
  156   1HE   LYS  17          2HE       LYS  17   8.574  -2.621   5.939
  157   2HE   LYS  17          1HE       LYS  17   9.644  -1.438   5.188
  158   1HZ   LYS  17          1HZ       LYS  17  11.135  -2.479   6.508
  159   2HZ   LYS  17          2HZ       LYS  17   9.979  -2.947   7.663
  160   3HZ   LYS  17          3HZ       LYS  17  10.574  -1.355   7.647
  161    H    CYS  18           H        CYS  18   6.046   2.481   3.803
  162    HA   CYS  18           HA       CYS  18   8.354   1.321   2.399
  163   1HB   CYS  18          2HB       CYS  18   7.458   1.844   0.137
  164   2HB   CYS  18          1HB       CYS  18   6.515   0.594   0.945
  165    HG   CYS  18           HG       CYS  18   4.634   2.307   1.391
  166    H    LEU  19           H        LEU  19   9.439   3.056   1.017
  167    HA   LEU  19           HA       LEU  19   9.288   5.644   2.434
  168   1HB   LEU  19          2HB       LEU  19  11.312   4.170   0.963
  169   2HB   LEU  19          1HB       LEU  19  11.180   5.817   0.351
  170    HG   LEU  19           HG       LEU  19  11.166   5.514   3.309
  171   1HD1  LEU  19          1HD1      LEU  19  13.785   5.356   1.812
  172   2HD1  LEU  19          2HD1      LEU  19  12.939   3.901   2.340
  173   3HD1  LEU  19          3HD1      LEU  19  13.485   5.084   3.529
  174   1HD2  LEU  19          1HD2      LEU  19  11.216   7.747   2.736
  175   2HD2  LEU  19          2HD2      LEU  19  12.059   7.447   1.217
  176   3HD2  LEU  19          3HD2      LEU  19  12.953   7.443   2.737
  177    H    ALA  20           H        ALA  20   8.724   7.604   1.416
  178    HA   ALA  20           HA       ALA  20   6.805   7.486  -0.709
  179   1HB   ALA  20          1HB       ALA  20   6.756   9.875  -0.594
  180   2HB   ALA  20          2HB       ALA  20   8.386   9.944   0.078
  181   3HB   ALA  20          3HB       ALA  20   7.056   9.319   1.053
  182    H    GLU  21           H        GLU  21  10.284   7.729  -0.717
  183    HA   GLU  21           HA       GLU  21  10.438   8.704  -3.483
  184   1HB   GLU  21          2HB       GLU  21  12.874   8.367  -3.215
  185   2HB   GLU  21          1HB       GLU  21  12.207   9.306  -1.882
  186   1HG   GLU  21          2HG       GLU  21  13.234   7.811  -0.522
  187   2HG   GLU  21          1HG       GLU  21  11.946   6.699  -0.979
  188    H    ASP  22           H        ASP  22  10.167   5.630  -1.887
  189    HA   ASP  22           HA       ASP  22  11.455   3.970  -3.833
  190   1HB   ASP  22          2HB       ASP  22   9.619   3.590  -1.562
  191   2HB   ASP  22          1HB       ASP  22   9.430   2.390  -2.841
  192    H    SER  23           H        SER  23  10.499   2.710  -5.535
  193    HA   SER  23           HA       SER  23   8.401   4.150  -6.986
  194   1HB   SER  23          2HB       SER  23   8.849   2.505  -8.780
  195   2HB   SER  23          1HB       SER  23  10.336   3.250  -8.203
  196    HG   SER  23           HG       SER  23  10.281   0.866  -8.431
  197    H    VAL  24           H        VAL  24   6.514   2.968  -7.915
  198    HA   VAL  24           HA       VAL  24   4.961   1.660  -5.898
  199    HB   VAL  24           HB       VAL  24   4.585   1.690  -8.909
  200   1HG1  VAL  24          1HG1      VAL  24   2.402   0.891  -8.583
  201   2HG1  VAL  24          2HG1      VAL  24   2.406   1.299  -6.867
  202   3HG1  VAL  24          3HG1      VAL  24   3.336  -0.081  -7.448
  203   1HG2  VAL  24          1HG2      VAL  24   3.818   3.799  -8.667
  204   2HG2  VAL  24          2HG2      VAL  24   4.461   3.774  -7.026
  205   3HG2  VAL  24          3HG2      VAL  24   2.782   3.324  -7.321
  206    H    GLY  25           H        GLY  25   7.051   0.422  -8.477
  207   1HA   GLY  25          2HA       GLY  25   6.270  -2.309  -8.465
  208   2HA   GLY  25          1HA       GLY  25   7.899  -1.739  -8.840
  209    H    ASP  26           H        ASP  26   8.696  -0.608  -6.456
  210    HA   ASP  26           HA       ASP  26   9.370  -2.907  -4.843
  211   1HB   ASP  26          2HB       ASP  26  10.783  -0.835  -5.039
  212   2HB   ASP  26          1HB       ASP  26   9.570   0.030  -4.095
  213    H    PHE  27           H        PHE  27   6.981  -0.302  -4.565
  214    HA   PHE  27           HA       PHE  27   6.047  -0.831  -1.927
  215   1HB   PHE  27          2HB       PHE  27   5.439   1.185  -3.235
  216   2HB   PHE  27          1HB       PHE  27   4.497   0.183  -4.335
  217    HD1  PHE  27           HD1      PHE  27   2.244   0.675  -3.994
  218    HD2  PHE  27           HD2      PHE  27   4.810   0.129  -0.593
  219    HE1  PHE  27           HE1      PHE  27   0.285   0.858  -2.488
  220    HE2  PHE  27           HE2      PHE  27   2.850   0.311   0.912
  221    HZ   PHE  27           HZ       PHE  27   0.587   0.675  -0.035
  222    H    LYS  28           H        LYS  28   5.110  -2.223  -5.072
  223    HA   LYS  28           HA       LYS  28   3.014  -3.912  -3.981
  224   1HB   LYS  28          2HB       LYS  28   4.511  -3.849  -6.607
  225   2HB   LYS  28          1HB       LYS  28   3.343  -5.120  -6.239
  226   1HG   LYS  28          2HG       LYS  28   1.697  -3.243  -5.673
  227   2HG   LYS  28          1HG       LYS  28   2.846  -2.145  -6.436
  228   1HD   LYS  28          2HD       LYS  28   2.529  -4.344  -8.203
  229   2HD   LYS  28          1HD       LYS  28   0.911  -3.869  -7.689
  230   1HE   LYS  28          2HE       LYS  28   1.118  -1.713  -8.559
  231   2HE   LYS  28          1HE       LYS  28   2.880  -1.753  -8.504
  232   1HZ   LYS  28          1HZ       LYS  28   2.586  -2.117 -10.701
  233   2HZ   LYS  28          2HZ       LYS  28   1.054  -2.826 -10.510
  234   3HZ   LYS  28          3HZ       LYS  28   2.459  -3.728 -10.191
  235    H    LYS  29           H        LYS  29   6.485  -4.260  -4.539
  236    HA   LYS  29           HA       LYS  29   6.681  -7.100  -4.232
  237   1HB   LYS  29          2HB       LYS  29   8.595  -4.810  -3.813
  238   2HB   LYS  29          1HB       LYS  29   9.063  -6.454  -3.382
  239   1HG   LYS  29          2HG       LYS  29   8.586  -7.207  -5.670
  240   2HG   LYS  29          1HG       LYS  29   8.078  -5.577  -6.111
  241   1HD   LYS  29          2HD       LYS  29  10.404  -4.819  -5.321
  242   2HD   LYS  29          1HD       LYS  29  10.841  -6.527  -5.354
  243   1HE   LYS  29          2HE       LYS  29  10.959  -6.561  -7.612
  244   2HE   LYS  29          1HE       LYS  29   9.440  -5.683  -7.781
  245   1HZ   LYS  29          1HZ       LYS  29  10.850  -4.112  -8.556
  246   2HZ   LYS  29          2HZ       LYS  29  12.174  -4.670  -7.650
  247   3HZ   LYS  29          3HZ       LYS  29  10.970  -3.726  -6.908
  248    H    VAL  30           H        VAL  30   6.889  -4.436  -1.860
  249    HA   VAL  30           HA       VAL  30   7.327  -6.137   0.428
  250    HB   VAL  30           HB       VAL  30   6.047  -3.382   0.391
  251   1HG1  VAL  30          1HG1      VAL  30   5.818  -4.475   2.538
  252   2HG1  VAL  30          2HG1      VAL  30   7.110  -3.283   2.676
  253   3HG1  VAL  30          3HG1      VAL  30   7.503  -4.995   2.505
  254   1HG2  VAL  30          1HG2      VAL  30   8.302  -3.572  -0.802
  255   2HG2  VAL  30          2HG2      VAL  30   8.982  -4.041   0.754
  256   3HG2  VAL  30          3HG2      VAL  30   8.251  -2.449   0.556
  257    H    LEU  31           H        LEU  31   4.421  -4.869  -1.170
  258    HA   LEU  31           HA       LEU  31   2.528  -5.752   0.813
  259   1HB   LEU  31          2HB       LEU  31   2.434  -4.758  -1.977
  260   2HB   LEU  31          1HB       LEU  31   1.098  -5.810  -1.513
  261    HG   LEU  31           HG       LEU  31   1.883  -3.676   0.418
  262   1HD1  LEU  31          1HD1      LEU  31   0.979  -3.185  -2.349
  263   2HD1  LEU  31          2HD1      LEU  31   1.744  -2.085  -1.203
  264   3HD1  LEU  31          3HD1      LEU  31   0.009  -2.384  -1.111
  265   1HD2  LEU  31          1HD2      LEU  31  -0.838  -3.670   0.143
  266   2HD2  LEU  31          2HD2      LEU  31   0.032  -4.718   1.261
  267   3HD2  LEU  31          3HD2      LEU  31  -0.464  -5.330  -0.316
  268    H    SER  32           H        SER  32   3.814  -7.244  -2.158
  269    HA   SER  32           HA       SER  32   2.263  -9.557  -2.344
  270   1HB   SER  32          2HB       SER  32   3.990  -8.974  -3.981
  271   2HB   SER  32          1HB       SER  32   5.251  -9.289  -2.793
  272    HG   SER  32           HG       SER  32   5.146 -11.251  -3.544
  273    H    LEU  33           H        LEU  33   4.618  -8.809   0.151
  274    HA   LEU  33           HA       LEU  33   5.094 -11.523   1.008
  275   1HB   LEU  33          2HB       LEU  33   5.411  -8.832   2.341
  276   2HB   LEU  33          1HB       LEU  33   5.760 -10.335   3.193
  277    HG   LEU  33           HG       LEU  33   6.954 -10.118   0.491
  278   1HD1  LEU  33          1HD1      LEU  33   8.791  -8.657   1.294
  279   2HD1  LEU  33          2HD1      LEU  33   7.910  -8.394   2.799
  280   3HD1  LEU  33          3HD1      LEU  33   7.247  -7.807   1.273
  281   1HD2  LEU  33          1HD2      LEU  33   8.337 -11.668   1.390
  282   2HD2  LEU  33          2HD2      LEU  33   7.265 -11.676   2.790
  283   3HD2  LEU  33          3HD2      LEU  33   8.693 -10.642   2.780
  284    H    GLN  34           H        GLN  34   2.807  -8.997   2.138
  285    HA   GLN  34           HA       GLN  34   1.617 -10.840   4.082
  286   1HB   GLN  34          2HB       GLN  34   0.148  -8.990   4.671
  287   2HB   GLN  34          1HB       GLN  34   1.807  -8.410   4.550
  288   1HG   GLN  34          2HG       GLN  34   0.892  -8.065   1.974
  289   2HG   GLN  34          1HG       GLN  34  -0.547  -7.711   2.925
  290   1HE2  GLN  34          1HE2      GLN  34   2.998  -6.968   3.116
  291   2HE2  GLN  34          2HE2      GLN  34   2.773  -5.345   3.558
  292    H    ILE  35           H        ILE  35   0.767  -9.688   0.825
  293    HA   ILE  35           HA       ILE  35  -1.850 -11.087   1.026
  294    HB   ILE  35           HB       ILE  35  -2.154 -10.170  -1.354
  295   1HG1  ILE  35          2HG1      ILE  35   0.179  -8.426  -0.525
  296   2HG1  ILE  35          1HG1      ILE  35   0.314  -9.740  -1.692
  297   1HG2  ILE  35          1HG2      ILE  35  -3.253  -8.445  -0.398
  298   2HG2  ILE  35          2HG2      ILE  35  -1.781  -7.788   0.320
  299   3HG2  ILE  35          3HG2      ILE  35  -2.650  -9.091   1.129
  300   1HD1  ILE  35          1HD1      ILE  35  -0.714  -7.046  -2.063
  301   2HD1  ILE  35          2HD1      ILE  35  -1.911  -8.253  -2.534
  302   3HD1  ILE  35          3HD1      ILE  35  -0.311  -8.260  -3.275
  303    H    GLY  36           H        GLY  36   1.268 -11.399  -0.610
  304   1HA   GLY  36          2HA       GLY  36   2.178 -13.277  -1.714
  305   2HA   GLY  36          1HA       GLY  36   0.754 -14.196  -1.211
  306    H    THR  37           H        THR  37   0.954 -11.204  -3.121
  307    HA   THR  37           HA       THR  37  -0.559 -12.584  -5.299
  308    HB   THR  37           HB       THR  37  -0.461  -9.608  -4.764
  309    HG1  THR  37           HG1      THR  37  -2.308  -9.883  -3.572
  310   1HG2  THR  37          1HG2      THR  37  -1.330  -9.930  -6.905
  311   2HG2  THR  37          2HG2      THR  37  -2.785  -9.926  -5.911
  312   3HG2  THR  37          3HG2      THR  37  -2.103 -11.454  -6.469
  313    H    GLN  38           H        GLN  38   2.489 -11.305  -4.572
  314    HA   GLN  38           HA       GLN  38   4.381 -10.934  -5.888
  315   1HB   GLN  38          2HB       GLN  38   2.524 -12.209  -7.872
  316   2HB   GLN  38          1HB       GLN  38   4.008 -11.457  -8.452
  317   1HG   GLN  38          2HG       GLN  38   5.246 -13.176  -7.709
  318   2HG   GLN  38          1HG       GLN  38   4.534 -13.061  -6.100
  319   1HE2  GLN  38          1HE2      GLN  38   2.888 -14.575  -5.540
  320   2HE2  GLN  38          2HE2      GLN  38   2.326 -15.775  -6.602
  321    HA   PRO  39           HA       PRO  39   3.784  -6.835  -7.380
  322   1HB   PRO  39          2HB       PRO  39   6.253  -6.481  -8.552
  323   2HB   PRO  39          1HB       PRO  39   5.982  -6.437  -6.802
  324   1HG   PRO  39          2HG       PRO  39   7.216  -8.592  -8.458
  325   2HG   PRO  39          1HG       PRO  39   7.492  -8.189  -6.756
  326   1HD   PRO  39          2HD       PRO  39   5.903 -10.320  -7.697
  327   2HD   PRO  39          1HD       PRO  39   5.893  -9.669  -6.044
  328    H    ASN  40           H        ASN  40   2.296  -8.274  -8.970
  329    HA   ASN  40           HA       ASN  40   2.769  -7.259 -11.669
  330   1HB   ASN  40          2HB       ASN  40   3.518  -9.981 -10.969
  331   2HB   ASN  40          1HB       ASN  40   2.247  -9.976 -12.190
  332   1HD2  ASN  40          1HD2      ASN  40   5.630  -9.300 -11.619
  333   2HD2  ASN  40          2HD2      ASN  40   5.998  -8.799 -13.198
  334    H    LYS  41           H        LYS  41   0.858  -9.467  -9.596
  335    HA   LYS  41           HA       LYS  41  -1.576  -8.799 -11.178
  336   1HB   LYS  41          2HB       LYS  41  -0.718 -11.189 -10.118
  337   2HB   LYS  41          1HB       LYS  41  -1.866 -10.640  -8.895
  338   1HG   LYS  41          2HG       LYS  41  -3.410 -10.117 -10.939
  339   2HG   LYS  41          1HG       LYS  41  -2.347 -11.222 -11.809
  340   1HD   LYS  41          2HD       LYS  41  -3.899 -12.741 -11.022
  341   2HD   LYS  41          1HD       LYS  41  -2.781 -12.745  -9.657
  342   1HE   LYS  41          2HE       LYS  41  -4.226 -10.804  -8.731
  343   2HE   LYS  41          1HE       LYS  41  -5.428 -11.318  -9.913
  344   1HZ   LYS  41          1HZ       LYS  41  -5.307 -12.319  -7.481
  345   2HZ   LYS  41          2HZ       LYS  41  -4.240 -13.397  -8.247
  346   3HZ   LYS  41          3HZ       LYS  41  -5.834 -13.230  -8.810
  347    H    ILE  42           H        ILE  42  -0.031  -7.188  -8.895
  348    HA   ILE  42           HA       ILE  42  -2.354  -6.770  -7.082
  349    HB   ILE  42           HB       ILE  42   0.458  -5.635  -6.914
  350   1HG1  ILE  42          2HG1      ILE  42  -0.786  -7.779  -5.175
  351   2HG1  ILE  42          1HG1      ILE  42   0.171  -8.170  -6.604
  352   1HG2  ILE  42          1HG2      ILE  42  -1.985  -5.492  -5.146
  353   2HG2  ILE  42          2HG2      ILE  42  -0.979  -4.167  -5.733
  354   3HG2  ILE  42          3HG2      ILE  42  -0.365  -5.258  -4.491
  355   1HD1  ILE  42          1HD1      ILE  42   1.957  -8.076  -5.200
  356   2HD1  ILE  42          2HD1      ILE  42   1.053  -7.195  -3.970
  357   3HD1  ILE  42          3HD1      ILE  42   1.774  -6.326  -5.324
  358    H    VAL  43           H        VAL  43  -3.649  -5.034  -7.330
  359    HA   VAL  43           HA       VAL  43  -2.712  -2.787  -9.076
  360    HB   VAL  43           HB       VAL  43  -5.556  -3.793  -8.701
  361   1HG1  VAL  43          1HG1      VAL  43  -5.942  -2.272 -10.698
  362   2HG1  VAL  43          2HG1      VAL  43  -4.322  -1.630 -10.427
  363   3HG1  VAL  43          3HG1      VAL  43  -5.564  -1.438  -9.191
  364   1HG2  VAL  43          1HG2      VAL  43  -3.695  -4.048 -11.089
  365   2HG2  VAL  43          2HG2      VAL  43  -5.359  -4.624 -11.003
  366   3HG2  VAL  43          3HG2      VAL  43  -4.117  -5.365  -9.994
  367    H    LEU  44           H        LEU  44  -2.224  -1.130  -7.684
  368    HA   LEU  44           HA       LEU  44  -3.864  -0.799  -5.224
  369   1HB   LEU  44          2HB       LEU  44  -1.203   0.343  -6.098
  370   2HB   LEU  44          1HB       LEU  44  -2.053   0.909  -4.659
  371    HG   LEU  44           HG       LEU  44  -1.806  -2.033  -4.898
  372   1HD1  LEU  44          1HD1      LEU  44   0.553  -0.203  -4.867
  373   2HD1  LEU  44          2HD1      LEU  44   0.396  -1.827  -5.540
  374   3HD1  LEU  44          3HD1      LEU  44   0.600  -1.609  -3.801
  375   1HD2  LEU  44          1HD2      LEU  44  -1.307  -0.006  -2.692
  376   2HD2  LEU  44          2HD2      LEU  44  -1.274  -1.756  -2.478
  377   3HD2  LEU  44          3HD2      LEU  44  -2.778  -0.951  -2.924
  378    H    GLN  45           H        GLN  45  -5.185   0.960  -4.907
  379    HA   GLN  45           HA       GLN  45  -5.253   3.018  -7.078
  380   1HB   GLN  45          2HB       GLN  45  -7.676   2.217  -5.466
  381   2HB   GLN  45          1HB       GLN  45  -7.616   3.065  -7.009
  382   1HG   GLN  45          2HG       GLN  45  -6.288   0.609  -7.437
  383   2HG   GLN  45          1HG       GLN  45  -7.735   0.219  -6.508
  384   1HE2  GLN  45          1HE2      GLN  45  -9.845   1.215  -7.407
  385   2HE2  GLN  45          2HE2      GLN  45  -9.981   1.353  -9.093
  386    H    LYS  46           H        LYS  46  -4.701   4.988  -6.308
  387    HA   LYS  46           HA       LYS  46  -5.102   5.544  -3.401
  388   1HB   LYS  46          2HB       LYS  46  -2.767   5.671  -4.502
  389   2HB   LYS  46          1HB       LYS  46  -3.352   7.146  -5.272
  390   1HG   LYS  46          2HG       LYS  46  -3.199   8.335  -3.353
  391   2HG   LYS  46          1HG       LYS  46  -3.948   7.052  -2.404
  392   1HD   LYS  46          2HD       LYS  46  -1.787   7.095  -1.517
  393   2HD   LYS  46          1HD       LYS  46  -1.647   5.832  -2.739
  394   1HE   LYS  46          2HE       LYS  46  -1.100   8.059  -4.228
  395   2HE   LYS  46          1HE       LYS  46  -0.430   8.525  -2.665
  396   1HZ   LYS  46          1HZ       LYS  46   0.775   6.397  -2.635
  397   2HZ   LYS  46          2HZ       LYS  46   1.231   7.385  -3.940
  398   3HZ   LYS  46          3HZ       LYS  46   0.200   6.059  -4.196
  399    H    GLY  47           H        GLY  47  -7.295   6.210  -3.566
  400   1HA   GLY  47          2HA       GLY  47  -9.004   7.796  -3.805
  401   2HA   GLY  47          1HA       GLY  47  -7.739   8.982  -4.121
  402    H    GLY  48           H        GLY  48  -8.813   6.064  -5.909
  403   1HA   GLY  48          2HA       GLY  48  -9.655   5.859  -8.099
  404   2HA   GLY  48          1HA       GLY  48  -9.930   7.601  -8.103
  405    H    SER  49           H        SER  49  -6.878   5.807  -7.628
  406    HA   SER  49           HA       SER  49  -5.881   6.799 -10.243
  407   1HB   SER  49          2HB       SER  49  -5.278   8.125  -7.839
  408   2HB   SER  49          1HB       SER  49  -3.855   7.145  -8.182
  409    HG   SER  49           HG       SER  49  -3.574   9.003  -9.310
  410    H    VAL  50           H        VAL  50  -4.932   5.081 -11.225
  411    HA   VAL  50           HA       VAL  50  -4.280   2.679  -9.693
  412    HB   VAL  50           HB       VAL  50  -5.266   2.590 -11.988
  413   1HG1  VAL  50          1HG1      VAL  50  -2.605   3.132 -13.212
  414   2HG1  VAL  50          2HG1      VAL  50  -3.530   4.533 -12.671
  415   3HG1  VAL  50          3HG1      VAL  50  -4.221   3.424 -13.854
  416   1HG2  VAL  50          1HG2      VAL  50  -4.367   0.525 -11.696
  417   2HG2  VAL  50          2HG2      VAL  50  -2.845   1.171 -11.084
  418   3HG2  VAL  50          3HG2      VAL  50  -3.126   1.075 -12.823
  419    H    LEU  51           H        LEU  51  -2.320   2.149  -8.886
  420    HA   LEU  51           HA       LEU  51  -0.031   3.952  -9.455
  421   1HB   LEU  51          2HB       LEU  51  -0.106   1.723  -7.409
  422   2HB   LEU  51          1HB       LEU  51   0.953   3.132  -7.442
  423    HG   LEU  51           HG       LEU  51  -2.052   3.203  -7.021
  424   1HD1  LEU  51          1HD1      LEU  51  -0.303   2.366  -5.184
  425   2HD1  LEU  51          2HD1      LEU  51  -1.666   3.399  -4.759
  426   3HD1  LEU  51          3HD1      LEU  51  -0.066   4.103  -4.982
  427   1HD2  LEU  51          1HD2      LEU  51  -0.022   5.439  -6.754
  428   2HD2  LEU  51          2HD2      LEU  51  -1.778   5.572  -6.653
  429   3HD2  LEU  51          3HD2      LEU  51  -1.011   5.195  -8.195
  430    H    LYS  52           H        LYS  52   1.361   3.320 -11.015
  431    HA   LYS  52           HA       LYS  52   1.626   0.400 -11.592
  432   1HB   LYS  52          2HB       LYS  52   1.133   2.530 -13.310
  433   2HB   LYS  52          1HB       LYS  52   2.856   2.222 -13.522
  434   1HG   LYS  52          2HG       LYS  52   1.852   0.761 -15.069
  435   2HG   LYS  52          1HG       LYS  52   2.176  -0.276 -13.681
  436   1HD   LYS  52          2HD       LYS  52  -0.341   0.859 -13.171
  437   2HD   LYS  52          1HD       LYS  52  -0.371   0.431 -14.881
  438   1HE   LYS  52          2HE       LYS  52  -0.477  -1.773 -14.411
  439   2HE   LYS  52          1HE       LYS  52   0.890  -1.660 -13.304
  440   1HZ   LYS  52          1HZ       LYS  52  -1.273  -2.360 -12.287
  441   2HZ   LYS  52          2HZ       LYS  52  -1.851  -0.792 -12.582
  442   3HZ   LYS  52          3HZ       LYS  52  -0.529  -1.025 -11.542
  443    H    ASP  53           H        ASP  53   3.696  -0.522 -11.743
  444    HA   ASP  53           HA       ASP  53   5.700   0.399  -9.964
  445   1HB   ASP  53          2HB       ASP  53   7.152  -1.310 -10.999
  446   2HB   ASP  53          1HB       ASP  53   5.535  -1.948 -10.709
  447    H    HIS  54           H        HIS  54   5.160   1.154 -13.349
  448    HA   HIS  54           HA       HIS  54   7.777   2.174 -13.958
  449   1HB   HIS  54          2HB       HIS  54   5.060   2.814 -15.141
  450   2HB   HIS  54          1HB       HIS  54   6.591   3.359 -15.824
  451    HD1  HIS  54           HD1      HIS  54   4.398   0.373 -15.504
  452    HD2  HIS  54           HD2      HIS  54   8.243   1.220 -16.876
  453    HE1  HIS  54           HE1      HIS  54   5.154  -1.656 -16.816
  454    H    ILE  55           H        ILE  55   5.193   3.470 -12.043
  455    HA   ILE  55           HA       ILE  55   6.428   6.191 -12.153
  456    HB   ILE  55           HB       ILE  55   3.681   5.369 -11.148
  457   1HG1  ILE  55          2HG1      ILE  55   3.213   6.968 -13.275
  458   2HG1  ILE  55          1HG1      ILE  55   4.734   6.243 -13.795
  459   1HG2  ILE  55          1HG2      ILE  55   4.685   8.155 -11.756
  460   2HG2  ILE  55          2HG2      ILE  55   4.834   7.445 -10.149
  461   3HG2  ILE  55          3HG2      ILE  55   3.241   7.688 -10.860
  462   1HD1  ILE  55          1HD1      ILE  55   2.733   4.373 -12.652
  463   2HD1  ILE  55          2HD1      ILE  55   3.818   4.160 -14.026
  464   3HD1  ILE  55          3HD1      ILE  55   2.325   5.080 -14.216
  465    H    SER  56           H        SER  56   6.985   7.215 -10.178
  466    HA   SER  56           HA       SER  56   7.619   5.349  -7.994
  467   1HB   SER  56          2HB       SER  56   8.859   7.273  -7.037
  468   2HB   SER  56          1HB       SER  56   9.332   6.951  -8.702
  469    HG   SER  56           HG       SER  56   8.541   9.215  -7.761
  470    H    LEU  57           H        LEU  57   7.063   5.821  -5.746
  471    HA   LEU  57           HA       LEU  57   4.297   6.409  -5.331
  472   1HB   LEU  57          2HB       LEU  57   6.668   6.211  -3.469
  473   2HB   LEU  57          1HB       LEU  57   5.062   6.619  -2.868
  474    HG   LEU  57           HG       LEU  57   5.459   4.213  -4.637
  475   1HD1  LEU  57          1HD1      LEU  57   5.385   3.106  -2.170
  476   2HD1  LEU  57          2HD1      LEU  57   6.280   4.580  -1.803
  477   3HD1  LEU  57          3HD1      LEU  57   6.893   3.456  -3.016
  478   1HD2  LEU  57          1HD2      LEU  57   3.461   5.030  -2.505
  479   2HD2  LEU  57          2HD2      LEU  57   3.470   3.451  -3.288
  480   3HD2  LEU  57          3HD2      LEU  57   3.167   4.905  -4.239
  481    H    GLU  58           H        GLU  58   7.220   8.411  -5.011
  482    HA   GLU  58           HA       GLU  58   6.061  10.700  -3.796
  483   1HB   GLU  58          2HB       GLU  58   8.561  10.109  -4.490
  484   2HB   GLU  58          1HB       GLU  58   8.142  11.046  -5.924
  485   1HG   GLU  58          2HG       GLU  58   9.037  12.630  -4.386
  486   2HG   GLU  58          1HG       GLU  58   7.289  12.848  -4.311
  487    H    ASP  59           H        ASP  59   6.059   9.622  -7.172
  488    HA   ASP  59           HA       ASP  59   5.069  12.046  -8.343
  489   1HB   ASP  59          2HB       ASP  59   6.012   9.936  -9.516
  490   2HB   ASP  59          1HB       ASP  59   4.385   9.279  -9.346
  491    H    TYR  60           H        TYR  60   3.401   9.148  -7.078
  492    HA   TYR  60           HA       TYR  60   0.737  10.215  -7.572
  493   1HB   TYR  60          2HB       TYR  60   1.740   7.917  -5.870
  494   2HB   TYR  60          1HB       TYR  60   0.032   8.303  -6.074
  495    HD1  TYR  60           HD1      TYR  60   2.706   6.386  -7.334
  496    HD2  TYR  60           HD2      TYR  60  -0.726   8.631  -8.616
  497    HE1  TYR  60           HE1      TYR  60   2.675   5.122  -9.465
  498    HE2  TYR  60           HE2      TYR  60  -0.755   7.368 -10.748
  499    HH   TYR  60           HH       TYR  60   0.379   5.919 -12.054
  500    H    GLU  61           H        GLU  61   3.112  10.688  -5.115
  501    HA   GLU  61           HA       GLU  61   3.108  12.067  -3.236
  502   1HB   GLU  61          2HB       GLU  61   1.020  13.096  -4.794
  503   2HB   GLU  61          1HB       GLU  61   0.301  12.855  -3.202
  504   1HG   GLU  61          2HG       GLU  61   1.246  15.045  -3.150
  505   2HG   GLU  61          1HG       GLU  61   2.367  14.026  -2.247
  506    H    VAL  62           H        VAL  62   3.286   9.914  -2.195
  507    HA   VAL  62           HA       VAL  62   0.823   8.925  -0.877
  508    HB   VAL  62           HB       VAL  62   2.555   7.375  -1.933
  509   1HG1  VAL  62          1HG1      VAL  62   4.569   6.887  -0.656
  510   2HG1  VAL  62          2HG1      VAL  62   4.118   8.068   0.572
  511   3HG1  VAL  62          3HG1      VAL  62   4.545   8.605  -1.052
  512   1HG2  VAL  62          1HG2      VAL  62   1.968   5.702  -0.460
  513   2HG2  VAL  62          2HG2      VAL  62   0.845   6.949   0.081
  514   3HG2  VAL  62          3HG2      VAL  62   2.347   6.674   0.961
  515    H    HIS  63           H        HIS  63   0.512   9.022   1.376
  516    HA   HIS  63           HA       HIS  63   2.520  10.642   2.901
  517   1HB   HIS  63          2HB       HIS  63  -0.506  10.780   3.027
  518   2HB   HIS  63          1HB       HIS  63   0.576  11.613   4.144
  519    HD1  HIS  63           HD1      HIS  63   2.330  13.328   2.950
  520    HD2  HIS  63           HD2      HIS  63  -0.962  12.175   0.666
  521    HE1  HIS  63           HE1      HIS  63   2.155  14.996   1.053
  522    H    ASP  64           H        ASP  64   2.303  10.343   5.311
  523    HA   ASP  64           HA       ASP  64   2.360   7.534   5.987
  524   1HB   ASP  64          2HB       ASP  64   3.474   9.713   7.113
  525   2HB   ASP  64          1HB       ASP  64   2.057   9.562   8.151
  526    H    GLN  65           H        GLN  65   0.834   6.294   7.065
  527    HA   GLN  65           HA       GLN  65  -1.291   5.591   7.737
  528   1HB   GLN  65          2HB       GLN  65  -1.473   8.486   8.637
  529   2HB   GLN  65          1HB       GLN  65  -2.610   7.218   9.095
  530   1HG   GLN  65          2HG       GLN  65   0.372   7.094   9.629
  531   2HG   GLN  65          1HG       GLN  65  -0.820   7.629  10.812
  532   1HE2  GLN  65          1HE2      GLN  65   0.632   4.830   9.339
  533   2HE2  GLN  65          2HE2      GLN  65  -0.308   3.665  10.140
  534    H    THR  66           H        THR  66  -0.979   6.390   5.002
  535    HA   THR  66           HA       THR  66  -3.413   7.909   4.303
  536    HB   THR  66           HB       THR  66  -1.218   8.173   3.059
  537    HG1  THR  66           HG1      THR  66  -2.544   8.866   1.617
  538   1HG2  THR  66          1HG2      THR  66  -0.399   6.489   1.649
  539   2HG2  THR  66          2HG2      THR  66  -1.930   5.612   1.649
  540   3HG2  THR  66          3HG2      THR  66  -0.897   5.583   3.078
  541    H    ASN  67           H        ASN  67  -5.086   6.989   2.944
  542    HA   ASN  67           HA       ASN  67  -5.495   4.089   3.475
  543   1HB   ASN  67          2HB       ASN  67  -7.222   6.417   3.336
  544   2HB   ASN  67          1HB       ASN  67  -7.791   5.155   2.245
  545   1HD2  ASN  67          1HD2      ASN  67  -8.659   3.222   3.179
  546   2HD2  ASN  67          2HD2      ASN  67  -8.834   3.004   4.853
  547    H    LEU  68           H        LEU  68  -5.002   2.711   1.864
  548    HA   LEU  68           HA       LEU  68  -5.145   3.695  -0.960
  549   1HB   LEU  68          2HB       LEU  68  -3.101   2.223   0.522
  550   2HB   LEU  68          1HB       LEU  68  -3.570   1.396  -0.965
  551    HG   LEU  68           HG       LEU  68  -3.170   4.337  -1.166
  552   1HD1  LEU  68          1HD1      LEU  68  -0.962   2.367  -0.569
  553   2HD1  LEU  68          2HD1      LEU  68  -1.241   3.953   0.147
  554   3HD1  LEU  68          3HD1      LEU  68  -0.658   3.827  -1.512
  555   1HD2  LEU  68          1HD2      LEU  68  -3.413   2.094  -2.878
  556   2HD2  LEU  68          2HD2      LEU  68  -1.754   2.668  -3.052
  557   3HD2  LEU  68          3HD2      LEU  68  -3.102   3.766  -3.345
  558    H    GLU  69           H        GLU  69  -5.806   2.083  -2.567
  559    HA   GLU  69           HA       GLU  69  -7.741   0.110  -1.425
  560   1HB   GLU  69          2HB       GLU  69  -7.985   2.096  -3.458
  561   2HB   GLU  69          1HB       GLU  69  -8.114   0.522  -4.241
  562   1HG   GLU  69          2HG       GLU  69 -10.326   0.971  -3.587
  563   2HG   GLU  69          1HG       GLU  69  -9.732  -0.064  -2.288
  564    H    LEU  70           H        LEU  70  -7.716  -2.031  -2.177
  565    HA   LEU  70           HA       LEU  70  -5.332  -2.775  -3.825
  566   1HB   LEU  70          2HB       LEU  70  -5.415  -3.594  -1.410
  567   2HB   LEU  70          1HB       LEU  70  -6.789  -4.588  -1.887
  568    HG   LEU  70           HG       LEU  70  -5.417  -5.707  -3.593
  569   1HD1  LEU  70          1HD1      LEU  70  -3.524  -3.544  -2.847
  570   2HD1  LEU  70          2HD1      LEU  70  -3.758  -4.351  -4.398
  571   3HD1  LEU  70          3HD1      LEU  70  -2.806  -5.130  -3.134
  572   1HD2  LEU  70          1HD2      LEU  70  -5.445  -6.519  -1.203
  573   2HD2  LEU  70          2HD2      LEU  70  -3.935  -5.644  -0.947
  574   3HD2  LEU  70          3HD2      LEU  70  -3.997  -6.977  -2.100
  575    H    TYR  71           H        TYR  71  -5.641  -4.105  -5.578
  576    HA   TYR  71           HA       TYR  71  -8.309  -5.301  -6.071
  577   1HB   TYR  71          2HB       TYR  71  -7.320  -2.908  -7.382
  578   2HB   TYR  71          1HB       TYR  71  -7.542  -4.207  -8.554
  579    HD1  TYR  71           HD1      TYR  71  -9.776  -5.514  -8.474
  580    HD2  TYR  71           HD2      TYR  71  -9.183  -1.702  -6.584
  581    HE1  TYR  71           HE1      TYR  71 -12.230  -5.171  -8.397
  582    HE2  TYR  71           HE2      TYR  71 -11.638  -1.359  -6.506
  583    HH   TYR  71           HH       TYR  71 -13.821  -3.665  -6.752
  584    H    TYR  72           H        TYR  72  -8.206  -7.062  -7.583
  585    HA   TYR  72           HA       TYR  72  -5.420  -8.030  -8.066
  586   1HB   TYR  72          2HB       TYR  72  -8.036  -9.556  -7.868
  587   2HB   TYR  72          1HB       TYR  72  -6.470 -10.289  -8.218
  588    HD1  TYR  72           HD1      TYR  72  -4.548  -9.212  -6.499
  589    HD2  TYR  72           HD2      TYR  72  -8.709  -9.861  -5.649
  590    HE1  TYR  72           HE1      TYR  72  -4.042  -9.285  -4.075
  591    HE2  TYR  72           HE2      TYR  72  -8.199  -9.937  -3.222
  592    HH   TYR  72           HH       TYR  72  -5.784  -8.753  -1.813
  593    H    LEU  73           HN       LEU  73  -4.738  -8.385 -10.130
  594    HA   LEU  73           HA       LEU  73  -6.363  -7.422 -12.342
  595   1HB   LEU  73          2HB       LEU  73  -3.590  -8.045 -11.867
  596   2HB   LEU  73          1HB       LEU  73  -4.121  -8.856 -13.341
  597    HG   LEU  73           HG       LEU  73  -5.071  -6.071 -13.057
  598   1HD1  LEU  73          1HD1      LEU  73  -2.131  -6.670 -13.521
  599   2HD1  LEU  73          2HD1      LEU  73  -2.800  -5.871 -12.099
  600   3HD1  LEU  73          3HD1      LEU  73  -2.897  -5.089 -13.676
  601   1HD2  LEU  73          1HD2      LEU  73  -3.555  -7.417 -15.311
  602   2HD2  LEU  73          2HD2      LEU  73  -4.639  -6.029 -15.416
  603   3HD2  LEU  73          3HD2      LEU  73  -5.290  -7.632 -15.071
  Start of MODEL   10
    1    H    MET   1           1H       MET   1  11.613   5.784   5.891
    2    HA   MET   1           HA       MET   1   9.577   4.915   4.664
    3   1HB   MET   1          2HB       MET   1  11.249   3.810   6.563
    4   2HB   MET   1          1HB       MET   1   9.651   3.475   7.229
    5   1HG   MET   1          2HG       MET   1   9.353   1.826   5.732
    6   2HG   MET   1          1HG       MET   1   9.582   2.965   4.406
    7   1HE   MET   1          1HE       MET   1  11.650  -0.432   4.134
    8   2HE   MET   1          2HE       MET   1  10.017   0.078   4.561
    9   3HE   MET   1          3HE       MET   1  11.160  -0.361   5.831
   10    H    ILE   2           H        ILE   2   7.354   4.595   4.770
   11    HA   ILE   2           HA       ILE   2   5.953   5.685   7.179
   12    HB   ILE   2           HB       ILE   2   4.187   6.536   5.676
   13   1HG1  ILE   2          2HG1      ILE   2   6.036   5.921   3.362
   14   2HG1  ILE   2          1HG1      ILE   2   4.772   4.795   3.856
   15   1HG2  ILE   2          1HG2      ILE   2   7.018   7.442   5.082
   16   2HG2  ILE   2          2HG2      ILE   2   5.905   8.115   6.274
   17   3HG2  ILE   2          3HG2      ILE   2   5.587   8.327   4.552
   18   1HD1  ILE   2          1HD1      ILE   2   3.855   7.582   3.594
   19   2HD1  ILE   2          2HD1      ILE   2   3.116   6.094   3.003
   20   3HD1  ILE   2          3HD1      ILE   2   4.410   6.861   2.082
   21    H    GLU   3           H        GLU   3   3.727   4.788   7.439
   22    HA   GLU   3           HA       GLU   3   3.583   1.968   6.438
   23   1HB   GLU   3          2HB       GLU   3   3.739   2.781   9.052
   24   2HB   GLU   3          1HB       GLU   3   1.993   2.694   8.827
   25   1HG   GLU   3          2HG       GLU   3   3.804   0.442   7.948
   26   2HG   GLU   3          1HG       GLU   3   3.200   0.543   9.601
   27    H    VAL   4           H        VAL   4   2.084   1.889   4.828
   28    HA   VAL   4           HA       VAL   4  -0.380   3.564   5.118
   29    HB   VAL   4           HB       VAL   4  -0.594   3.417   2.664
   30   1HG1  VAL   4          1HG1      VAL   4   0.623   5.319   3.504
   31   2HG1  VAL   4          2HG1      VAL   4   1.497   4.718   2.095
   32   3HG1  VAL   4          3HG1      VAL   4   2.086   4.357   3.718
   33   1HG2  VAL   4          1HG2      VAL   4   2.066   2.473   2.056
   34   2HG2  VAL   4          2HG2      VAL   4   0.517   1.858   1.478
   35   3HG2  VAL   4          3HG2      VAL   4   1.202   1.247   2.983
   36    H    VAL   5           H        VAL   5  -2.402   2.576   4.390
   37    HA   VAL   5           HA       VAL   5  -2.368  -0.409   4.623
   38    HB   VAL   5           HB       VAL   5  -4.651  -0.202   5.611
   39   1HG1  VAL   5          1HG1      VAL   5  -2.563   1.433   7.082
   40   2HG1  VAL   5          2HG1      VAL   5  -2.572  -0.329   7.008
   41   3HG1  VAL   5          3HG1      VAL   5  -3.894   0.528   7.803
   42   1HG2  VAL   5          1HG2      VAL   5  -4.436   2.453   4.643
   43   2HG2  VAL   5          2HG2      VAL   5  -4.444   2.574   6.402
   44   3HG2  VAL   5          3HG2      VAL   5  -5.768   1.759   5.568
   45    H    VAL   6           H        VAL   6  -3.671  -1.576   3.175
   46    HA   VAL   6           HA       VAL   6  -4.962   0.045   1.015
   47    HB   VAL   6           HB       VAL   6  -4.336  -1.773  -0.565
   48   1HG1  VAL   6          1HG1      VAL   6  -2.884   0.297  -0.003
   49   2HG1  VAL   6          2HG1      VAL   6  -2.120  -1.032  -0.874
   50   3HG1  VAL   6          3HG1      VAL   6  -1.846  -0.840   0.857
   51   1HG2  VAL   6          1HG2      VAL   6  -4.145  -3.648   0.971
   52   2HG2  VAL   6          2HG2      VAL   6  -2.854  -2.839   1.861
   53   3HG2  VAL   6          3HG2      VAL   6  -2.575  -3.394   0.210
   54    H    ASN   7           H        ASN   7  -7.034  -0.495   0.488
   55    HA   ASN   7           HA       ASN   7  -8.223  -2.882   1.851
   56   1HB   ASN   7          2HB       ASN   7  -9.346  -0.161   1.178
   57   2HB   ASN   7          1HB       ASN   7 -10.409  -1.538   1.471
   58   1HD2  ASN   7          1HD2      ASN   7  -7.886   0.488   3.009
   59   2HD2  ASN   7          2HD2      ASN   7  -8.311   0.085   4.602
   60    H    ASP   8           H        ASP   8  -9.300  -4.373   0.568
   61    HA   ASP   8           HA       ASP   8  -8.970  -4.114  -2.333
   62   1HB   ASP   8          2HB       ASP   8  -9.799  -6.290  -0.458
   63   2HB   ASP   8          1HB       ASP   8 -10.292  -6.418  -2.146
   64    H    ARG   9           H        ARG   9 -11.832  -4.833  -0.268
   65    HA   ARG   9           HA       ARG   9 -13.458  -2.910  -1.741
   66   1HB   ARG   9          2HB       ARG   9 -13.300  -5.035  -3.212
   67   2HB   ARG   9          1HB       ARG   9 -14.321  -5.793  -1.991
   68   1HG   ARG   9          2HG       ARG   9 -15.842  -4.949  -3.609
   69   2HG   ARG   9          1HG       ARG   9 -15.892  -3.777  -2.292
   70   1HD   ARG   9          2HD       ARG   9 -13.768  -3.048  -4.080
   71   2HD   ARG   9          1HD       ARG   9 -15.235  -3.306  -5.024
   72    HE   ARG   9           HE       ARG   9 -16.337  -1.695  -3.351
   73   1HH1  ARG   9          1HH2      ARG   9 -14.698  -0.229  -5.365
   74   2HH1  ARG   9          2HH2      ARG   9 -13.696   0.776  -4.372
   75   1HH2  ARG   9          2HH1      ARG   9 -14.297  -1.043  -1.465
   76   2HH2  ARG   9          1HH1      ARG   9 -13.467   0.313  -2.154
   77    H    LEU  10           H        LEU  10 -14.053  -5.985   0.032
   78    HA   LEU  10           HA       LEU  10 -15.314  -4.418   2.226
   79   1HB   LEU  10          2HB       LEU  10 -16.717  -6.110   0.296
   80   2HB   LEU  10          1HB       LEU  10 -16.977  -6.641   1.957
   81    HG   LEU  10           HG       LEU  10 -17.139  -3.790   1.933
   82   1HD1  LEU  10          1HD1      LEU  10 -18.819  -3.322   0.315
   83   2HD1  LEU  10          2HD1      LEU  10 -19.082  -5.035  -0.020
   84   3HD1  LEU  10          3HD1      LEU  10 -17.595  -4.250  -0.554
   85   1HD2  LEU  10          1HD2      LEU  10 -18.981  -4.243   3.209
   86   2HD2  LEU  10          2HD2      LEU  10 -18.370  -5.898   3.160
   87   3HD2  LEU  10          3HD2      LEU  10 -19.633  -5.389   2.038
   88    H    GLY  11           H        GLY  11 -14.693  -5.210   4.179
   89   1HA   GLY  11          2HA       GLY  11 -13.730  -6.610   5.791
   90   2HA   GLY  11          1HA       GLY  11 -14.382  -7.960   4.863
   91    H    LYS  12           H        LYS  12 -12.013  -5.545   3.753
   92    HA   LYS  12           HA       LYS  12  -9.861  -7.587   3.842
   93   1HB   LYS  12          2HB       LYS  12 -11.229  -6.633   1.409
   94   2HB   LYS  12          1HB       LYS  12  -9.470  -6.532   1.339
   95   1HG   LYS  12          2HG       LYS  12 -10.308  -9.045   2.527
   96   2HG   LYS  12          1HG       LYS  12 -11.031  -8.829   0.933
   97   1HD   LYS  12          2HD       LYS  12  -8.734  -8.214   0.078
   98   2HD   LYS  12          1HD       LYS  12  -8.090  -8.720   1.641
   99   1HE   LYS  12          2HE       LYS  12  -9.623 -10.875   1.047
  100   2HE   LYS  12          1HE       LYS  12  -9.173 -10.363  -0.580
  101   1HZ   LYS  12          1HZ       LYS  12  -7.423 -11.183   1.649
  102   2HZ   LYS  12          2HZ       LYS  12  -6.821 -10.218   0.384
  103   3HZ   LYS  12          3HZ       LYS  12  -7.455 -11.761   0.051
  104    H    LYS  13           H        LYS  13  -8.272  -6.522   4.908
  105    HA   LYS  13           HA       LYS  13  -7.433  -3.859   3.915
  106   1HB   LYS  13          2HB       LYS  13  -9.066  -3.610   5.877
  107   2HB   LYS  13          1HB       LYS  13  -7.806  -4.331   6.879
  108   1HG   LYS  13          2HG       LYS  13  -6.480  -2.372   5.376
  109   2HG   LYS  13          1HG       LYS  13  -8.003  -1.618   5.845
  110   1HD   LYS  13          2HD       LYS  13  -7.179  -1.289   7.913
  111   2HD   LYS  13          1HD       LYS  13  -7.055  -3.037   8.119
  112   1HE   LYS  13          2HE       LYS  13  -4.878  -2.321   6.477
  113   2HE   LYS  13          1HE       LYS  13  -4.939  -1.092   7.741
  114   1HZ   LYS  13          1HZ       LYS  13  -5.002  -2.862   9.394
  115   2HZ   LYS  13          2HZ       LYS  13  -3.608  -2.971   8.431
  116   3HZ   LYS  13          3HZ       LYS  13  -4.910  -4.032   8.168
  117    H    VAL  14           H        VAL  14  -5.305  -4.082   3.501
  118    HA   VAL  14           HA       VAL  14  -3.667  -5.870   5.265
  119    HB   VAL  14           HB       VAL  14  -2.995  -5.091   2.417
  120   1HG1  VAL  14          1HG1      VAL  14  -2.123  -7.432   4.141
  121   2HG1  VAL  14          2HG1      VAL  14  -1.176  -5.964   3.889
  122   3HG1  VAL  14          3HG1      VAL  14  -1.522  -7.035   2.530
  123   1HG2  VAL  14          1HG2      VAL  14  -4.831  -7.208   3.472
  124   2HG2  VAL  14          2HG2      VAL  14  -3.797  -7.615   2.101
  125   3HG2  VAL  14          3HG2      VAL  14  -4.937  -6.274   1.979
  126    H    ARG  15           H        ARG  15  -1.648  -5.061   5.982
  127    HA   ARG  15           HA       ARG  15  -1.275  -2.117   5.624
  128   1HB   ARG  15          2HB       ARG  15   0.102  -2.258   7.706
  129   2HB   ARG  15          1HB       ARG  15  -1.572  -2.747   7.957
  130   1HG   ARG  15          2HG       ARG  15  -0.984  -4.871   8.488
  131   2HG   ARG  15          1HG       ARG  15   0.160  -4.975   7.152
  132   1HD   ARG  15          2HD       ARG  15   1.176  -3.128   9.108
  133   2HD   ARG  15          1HD       ARG  15   0.747  -4.640   9.907
  134    HE   ARG  15           HE       ARG  15   2.216  -5.785   8.190
  135   1HH1  ARG  15          1HH2      ARG  15   3.860  -4.141  10.124
  136   2HH1  ARG  15          2HH2      ARG  15   4.911  -3.283   9.046
  137   1HH2  ARG  15          2HH1      ARG  15   2.983  -3.938   6.224
  138   2HH2  ARG  15          1HH1      ARG  15   4.411  -3.165   6.826
  139    H    VAL  16           H        VAL  16   0.701  -1.336   4.890
  140    HA   VAL  16           HA       VAL  16   2.961  -3.194   4.498
  141    HB   VAL  16           HB       VAL  16   1.664  -3.579   2.485
  142   1HG1  VAL  16          1HG1      VAL  16   1.614  -1.230   1.040
  143   2HG1  VAL  16          2HG1      VAL  16   1.231  -0.678   2.671
  144   3HG1  VAL  16          3HG1      VAL  16   0.241  -1.919   1.905
  145   1HG2  VAL  16          1HG2      VAL  16   4.246  -2.147   2.392
  146   2HG2  VAL  16          2HG2      VAL  16   3.355  -2.139   0.869
  147   3HG2  VAL  16          3HG2      VAL  16   3.773  -3.670   1.638
  148    H    LYS  17           H        LYS  17   4.896  -2.108   4.687
  149    HA   LYS  17           HA       LYS  17   4.749   0.859   4.950
  150   1HB   LYS  17          2HB       LYS  17   6.834   0.693   6.225
  151   2HB   LYS  17          1HB       LYS  17   5.633  -0.405   6.898
  152   1HG   LYS  17          2HG       LYS  17   6.659  -2.262   5.557
  153   2HG   LYS  17          1HG       LYS  17   7.927  -1.144   5.056
  154   1HD   LYS  17          2HD       LYS  17   8.823  -0.979   7.217
  155   2HD   LYS  17          1HD       LYS  17   7.322  -1.508   7.983
  156   1HE   LYS  17          2HE       LYS  17   7.833  -3.719   6.547
  157   2HE   LYS  17          1HE       LYS  17   9.489  -3.139   6.735
  158   1HZ   LYS  17          1HZ       LYS  17   8.947  -4.567   8.559
  159   2HZ   LYS  17          2HZ       LYS  17   7.537  -3.686   8.906
  160   3HZ   LYS  17          3HZ       LYS  17   9.066  -2.980   9.144
  161    H    CYS  18           H        CYS  18   6.221   2.207   3.845
  162    HA   CYS  18           HA       CYS  18   8.267   1.151   2.059
  163   1HB   CYS  18          2HB       CYS  18   7.163   2.066  -0.029
  164   2HB   CYS  18          1HB       CYS  18   6.388   0.627   0.631
  165    HG   CYS  18           HG       CYS  18   5.154   3.436   0.543
  166    H    LEU  19           H        LEU  19   9.467   2.915   1.006
  167    HA   LEU  19           HA       LEU  19   9.325   5.420   2.568
  168   1HB   LEU  19          2HB       LEU  19  11.393   3.929   1.251
  169   2HB   LEU  19          1HB       LEU  19  11.339   5.542   0.543
  170    HG   LEU  19           HG       LEU  19  11.195   5.291   3.525
  171   1HD1  LEU  19          1HD1      LEU  19  13.608   4.778   1.797
  172   2HD1  LEU  19          2HD1      LEU  19  13.076   3.916   3.242
  173   3HD1  LEU  19          3HD1      LEU  19  13.794   5.521   3.387
  174   1HD2  LEU  19          1HD2      LEU  19  10.946   7.494   2.512
  175   2HD2  LEU  19          2HD2      LEU  19  12.420   7.264   1.569
  176   3HD2  LEU  19          3HD2      LEU  19  12.510   7.419   3.324
  177    H    ALA  20           H        ALA  20   9.024   7.488   1.593
  178    HA   ALA  20           HA       ALA  20   7.160   7.613  -0.583
  179   1HB   ALA  20          1HB       ALA  20   8.084  10.143  -0.521
  180   2HB   ALA  20          2HB       ALA  20   8.700   9.587   1.036
  181   3HB   ALA  20          3HB       ALA  20   6.970   9.515   0.695
  182    H    GLU  21           H        GLU  21  10.654   7.576  -0.498
  183    HA   GLU  21           HA       GLU  21  10.980   8.644  -3.206
  184   1HB   GLU  21          2HB       GLU  21  13.357   8.030  -2.910
  185   2HB   GLU  21          1HB       GLU  21  12.762   8.952  -1.530
  186   1HG   GLU  21          2HG       GLU  21  13.559   7.274  -0.239
  187   2HG   GLU  21          1HG       GLU  21  12.201   6.319  -0.830
  188    H    ASP  22           H        ASP  22  10.378   5.532  -1.767
  189    HA   ASP  22           HA       ASP  22  11.458   3.912  -3.892
  190   1HB   ASP  22          2HB       ASP  22   9.627   3.470  -1.575
  191   2HB   ASP  22          1HB       ASP  22   9.580   2.288  -2.882
  192    H    SER  23           H        SER  23  10.304   2.887  -5.619
  193    HA   SER  23           HA       SER  23   8.069   4.513  -6.649
  194   1HB   SER  23          2HB       SER  23   8.402   3.231  -8.734
  195   2HB   SER  23          1HB       SER  23   9.917   3.925  -8.166
  196    HG   SER  23           HG       SER  23   9.931   1.627  -8.803
  197    H    VAL  24           H        VAL  24   6.290   3.184  -7.846
  198    HA   VAL  24           HA       VAL  24   4.813   1.702  -5.893
  199    HB   VAL  24           HB       VAL  24   4.449   1.768  -8.902
  200   1HG1  VAL  24          1HG1      VAL  24   2.804   0.277  -8.549
  201   2HG1  VAL  24          2HG1      VAL  24   1.989   1.485  -7.556
  202   3HG1  VAL  24          3HG1      VAL  24   3.083   0.319  -6.808
  203   1HG2  VAL  24          1HG2      VAL  24   3.790   3.633  -6.685
  204   2HG2  VAL  24          2HG2      VAL  24   2.534   3.379  -7.895
  205   3HG2  VAL  24          3HG2      VAL  24   4.118   3.977  -8.384
  206    H    GLY  25           H        GLY  25   7.161   0.715  -8.321
  207   1HA   GLY  25          2HA       GLY  25   6.558  -2.069  -8.479
  208   2HA   GLY  25          1HA       GLY  25   8.167  -1.376  -8.705
  209    H    ASP  26           H        ASP  26   8.673  -0.254  -6.237
  210    HA   ASP  26           HA       ASP  26   9.349  -2.558  -4.614
  211   1HB   ASP  26          2HB       ASP  26  10.730  -0.489  -4.663
  212   2HB   ASP  26          1HB       ASP  26   9.410   0.398  -3.904
  213    H    PHE  27           H        PHE  27   6.796  -0.106  -4.555
  214    HA   PHE  27           HA       PHE  27   5.707  -0.656  -1.976
  215   1HB   PHE  27          2HB       PHE  27   5.098   1.282  -3.488
  216   2HB   PHE  27          1HB       PHE  27   4.163   0.151  -4.462
  217    HD1  PHE  27           HD1      PHE  27   4.574   0.334  -0.741
  218    HD2  PHE  27           HD2      PHE  27   1.913   0.709  -4.093
  219    HE1  PHE  27           HE1      PHE  27   2.655   0.576   0.807
  220    HE2  PHE  27           HE2      PHE  27  -0.007   0.952  -2.542
  221    HZ   PHE  27           HZ       PHE  27   0.364   0.884  -0.093
  222    H    LYS  28           H        LYS  28   4.979  -2.050  -5.183
  223    HA   LYS  28           HA       LYS  28   3.010  -3.928  -4.182
  224   1HB   LYS  28          2HB       LYS  28   4.580  -3.745  -6.765
  225   2HB   LYS  28          1HB       LYS  28   3.425  -5.042  -6.450
  226   1HG   LYS  28          2HG       LYS  28   1.692  -3.278  -5.972
  227   2HG   LYS  28          1HG       LYS  28   2.852  -2.069  -6.521
  228   1HD   LYS  28          2HD       LYS  28   3.003  -3.270  -8.708
  229   2HD   LYS  28          1HD       LYS  28   1.736  -4.367  -8.153
  230   1HE   LYS  28          2HE       LYS  28   0.090  -2.799  -8.382
  231   2HE   LYS  28          1HE       LYS  28   1.138  -1.476  -7.871
  232   1HZ   LYS  28          1HZ       LYS  28   2.295  -1.835 -10.096
  233   2HZ   LYS  28          2HZ       LYS  28   0.768  -1.088 -10.118
  234   3HZ   LYS  28          3HZ       LYS  28   0.921  -2.728 -10.539
  235    H    LYS  29           H        LYS  29   6.509  -3.957  -4.565
  236    HA   LYS  29           HA       LYS  29   6.929  -6.791  -4.371
  237   1HB   LYS  29          2HB       LYS  29   8.628  -4.364  -3.817
  238   2HB   LYS  29          1HB       LYS  29   9.218  -5.973  -3.401
  239   1HG   LYS  29          2HG       LYS  29   8.140  -6.166  -6.018
  240   2HG   LYS  29          1HG       LYS  29   9.132  -4.707  -5.989
  241   1HD   LYS  29          2HD       LYS  29  11.073  -5.867  -5.680
  242   2HD   LYS  29          1HD       LYS  29  10.307  -7.077  -4.647
  243   1HE   LYS  29          2HE       LYS  29   9.098  -7.622  -7.028
  244   2HE   LYS  29          1HE       LYS  29  10.672  -7.057  -7.591
  245   1HZ   LYS  29          1HZ       LYS  29  10.662  -8.933  -5.350
  246   2HZ   LYS  29          2HZ       LYS  29  11.740  -8.799  -6.657
  247   3HZ   LYS  29          3HZ       LYS  29  10.232  -9.554  -6.869
  248    H    VAL  30           H        VAL  30   6.709  -4.222  -1.894
  249    HA   VAL  30           HA       VAL  30   7.224  -6.028   0.328
  250    HB   VAL  30           HB       VAL  30   5.857  -3.316   0.380
  251   1HG1  VAL  30          1HG1      VAL  30   5.517  -4.429   2.465
  252   2HG1  VAL  30          2HG1      VAL  30   6.886  -3.345   2.726
  253   3HG1  VAL  30          3HG1      VAL  30   7.161  -5.070   2.472
  254   1HG2  VAL  30          1HG2      VAL  30   8.752  -3.762   1.046
  255   2HG2  VAL  30          2HG2      VAL  30   7.948  -2.290   0.495
  256   3HG2  VAL  30          3HG2      VAL  30   8.282  -3.593  -0.646
  257    H    LEU  31           H        LEU  31   4.312  -4.758  -1.269
  258    HA   LEU  31           HA       LEU  31   2.413  -5.809   0.619
  259   1HB   LEU  31          2HB       LEU  31   2.337  -4.636  -2.097
  260   2HB   LEU  31          1HB       LEU  31   1.019  -5.750  -1.732
  261    HG   LEU  31           HG       LEU  31   1.736  -3.727   0.345
  262   1HD1  LEU  31          1HD1      LEU  31   0.216  -2.081  -0.770
  263   2HD1  LEU  31          2HD1      LEU  31   0.212  -3.111  -2.202
  264   3HD1  LEU  31          3HD1      LEU  31   1.712  -2.356  -1.663
  265   1HD2  LEU  31          1HD2      LEU  31  -0.094  -5.610   0.377
  266   2HD2  LEU  31          2HD2      LEU  31  -1.009  -4.486  -0.630
  267   3HD2  LEU  31          3HD2      LEU  31  -0.499  -4.005   0.990
  268    H    SER  32           H        SER  32   3.686  -7.106  -2.463
  269    HA   SER  32           HA       SER  32   2.152  -9.470  -2.608
  270   1HB   SER  32          2HB       SER  32   4.011 -10.386  -3.970
  271   2HB   SER  32          1HB       SER  32   3.591  -8.745  -4.444
  272    HG   SER  32           HG       SER  32   5.866  -9.093  -4.203
  273    H    LEU  33           H        LEU  33   4.781  -8.711  -0.421
  274    HA   LEU  33           HA       LEU  33   5.401 -11.472   0.255
  275   1HB   LEU  33          2HB       LEU  33   6.302  -8.812   1.055
  276   2HB   LEU  33          1HB       LEU  33   6.143  -9.892   2.438
  277    HG   LEU  33           HG       LEU  33   8.400 -10.045   1.461
  278   1HD1  LEU  33          1HD1      LEU  33   7.084 -12.609   0.641
  279   2HD1  LEU  33          2HD1      LEU  33   6.954 -12.095   2.324
  280   3HD1  LEU  33          3HD1      LEU  33   8.542 -12.354   1.602
  281   1HD2  LEU  33          1HD2      LEU  33   7.783 -11.472  -0.955
  282   2HD2  LEU  33          2HD2      LEU  33   8.695  -9.972  -0.770
  283   3HD2  LEU  33          3HD2      LEU  33   6.945  -9.919  -0.988
  284    H    GLN  34           H        GLN  34   3.185  -9.004   1.514
  285    HA   GLN  34           HA       GLN  34   2.410 -10.631   3.827
  286   1HB   GLN  34          2HB       GLN  34   1.467  -8.010   2.670
  287   2HB   GLN  34          1HB       GLN  34   0.577  -8.805   3.968
  288   1HG   GLN  34          2HG       GLN  34   1.999  -7.729   5.367
  289   2HG   GLN  34          1HG       GLN  34   3.182  -8.939   4.872
  290   1HE2  GLN  34          1HE2      GLN  34   1.843  -5.872   3.468
  291   2HE2  GLN  34          2HE2      GLN  34   3.357  -5.270   2.993
  292    H    ILE  35           H        ILE  35   0.758  -9.560   0.819
  293    HA   ILE  35           HA       ILE  35  -1.507 -11.348   1.343
  294    HB   ILE  35           HB       ILE  35  -2.179 -10.631  -1.038
  295   1HG1  ILE  35          2HG1      ILE  35   0.013  -8.591  -0.575
  296   2HG1  ILE  35          1HG1      ILE  35   0.177  -9.961  -1.673
  297   1HG2  ILE  35          1HG2      ILE  35  -2.140  -8.071   0.151
  298   2HG2  ILE  35          2HG2      ILE  35  -2.216  -9.230   1.480
  299   3HG2  ILE  35          3HG2      ILE  35  -3.439  -9.262   0.209
  300   1HD1  ILE  35          1HD1      ILE  35  -2.147  -9.012  -2.588
  301   2HD1  ILE  35          2HD1      ILE  35  -0.602  -8.386  -3.163
  302   3HD1  ILE  35          3HD1      ILE  35  -1.504  -7.508  -1.928
  303    H    GLY  36           H        GLY  36   1.490 -11.564  -0.456
  304   1HA   GLY  36          2HA       GLY  36   2.438 -13.417  -1.561
  305   2HA   GLY  36          1HA       GLY  36   1.104 -14.393  -0.942
  306    H    THR  37           H        THR  37   0.908 -11.467  -2.937
  307    HA   THR  37           HA       THR  37  -0.546 -13.060  -5.009
  308    HB   THR  37           HB       THR  37  -0.705 -10.063  -4.670
  309    HG1  THR  37           HG1      THR  37  -2.280 -12.052  -3.392
  310   1HG2  THR  37          1HG2      THR  37  -2.817 -11.992  -5.625
  311   2HG2  THR  37          2HG2      THR  37  -1.598 -11.333  -6.717
  312   3HG2  THR  37          3HG2      THR  37  -2.721 -10.251  -5.893
  313    H    GLN  38           H        GLN  38   2.409 -11.524  -4.456
  314    HA   GLN  38           HA       GLN  38   4.193 -11.004  -5.867
  315   1HB   GLN  38          2HB       GLN  38   2.362 -12.401  -7.818
  316   2HB   GLN  38          1HB       GLN  38   3.865 -11.660  -8.357
  317   1HG   GLN  38          2HG       GLN  38   4.627 -13.790  -7.857
  318   2HG   GLN  38          1HG       GLN  38   4.871 -13.004  -6.296
  319   1HE2  GLN  38          1HE2      GLN  38   2.573 -15.095  -8.091
  320   2HE2  GLN  38          2HE2      GLN  38   1.858 -15.766  -6.705
  321    HA   PRO  39           HA       PRO  39   3.221  -7.012  -7.394
  322   1HB   PRO  39          2HB       PRO  39   5.418  -6.569  -8.995
  323   2HB   PRO  39          1HB       PRO  39   5.454  -6.504  -7.225
  324   1HG   PRO  39          2HG       PRO  39   6.476  -8.636  -9.048
  325   2HG   PRO  39          1HG       PRO  39   7.034  -8.180  -7.430
  326   1HD   PRO  39          2HD       PRO  39   5.414 -10.404  -8.033
  327   2HD   PRO  39          1HD       PRO  39   5.651  -9.707  -6.416
  328    H    ASN  40           H        ASN  40   3.277  -9.703  -9.497
  329    HA   ASN  40           HA       ASN  40   2.673  -8.175 -11.945
  330   1HB   ASN  40          2HB       ASN  40   2.872 -11.127 -11.312
  331   2HB   ASN  40          1HB       ASN  40   2.310 -10.537 -12.875
  332   1HD2  ASN  40          1HD2      ASN  40   3.874  -9.384 -14.248
  333   2HD2  ASN  40          2HD2      ASN  40   5.541  -9.489 -13.947
  334    H    LYS  41           H        LYS  41   0.957  -9.957  -9.419
  335    HA   LYS  41           HA       LYS  41  -1.598  -9.576 -10.911
  336   1HB   LYS  41          2HB       LYS  41  -0.627 -11.563  -8.924
  337   2HB   LYS  41          1HB       LYS  41  -2.329 -11.114  -8.822
  338   1HG   LYS  41          2HG       LYS  41  -2.847 -12.100 -10.820
  339   2HG   LYS  41          1HG       LYS  41  -1.314 -11.638 -11.557
  340   1HD   LYS  41          2HD       LYS  41  -1.552 -13.811  -9.462
  341   2HD   LYS  41          1HD       LYS  41  -1.600 -14.127 -11.197
  342   1HE   LYS  41          2HE       LYS  41   0.622 -13.150 -11.476
  343   2HE   LYS  41          1HE       LYS  41   0.672 -12.711  -9.770
  344   1HZ   LYS  41          1HZ       LYS  41   1.885 -14.757 -10.187
  345   2HZ   LYS  41          2HZ       LYS  41   0.494 -15.476 -10.850
  346   3HZ   LYS  41          3HZ       LYS  41   0.536 -15.058  -9.203
  347    H    ILE  42           H        ILE  42   0.116  -7.754  -8.844
  348    HA   ILE  42           HA       ILE  42  -2.168  -7.085  -7.051
  349    HB   ILE  42           HB       ILE  42   0.778  -6.397  -6.984
  350   1HG1  ILE  42          2HG1      ILE  42  -1.000  -7.573  -4.835
  351   2HG1  ILE  42          1HG1      ILE  42  -0.195  -8.581  -6.038
  352   1HG2  ILE  42          1HG2      ILE  42   0.040  -5.189  -4.789
  353   2HG2  ILE  42          2HG2      ILE  42  -1.544  -5.107  -5.558
  354   3HG2  ILE  42          3HG2      ILE  42  -0.153  -4.339  -6.322
  355   1HD1  ILE  42          1HD1      ILE  42   1.342  -8.560  -4.258
  356   2HD1  ILE  42          2HD1      ILE  42   1.037  -6.862  -3.893
  357   3HD1  ILE  42          3HD1      ILE  42   1.963  -7.304  -5.328
  358    H    VAL  43           H        VAL  43  -3.399  -5.334  -7.485
  359    HA   VAL  43           HA       VAL  43  -2.332  -3.262  -9.368
  360    HB   VAL  43           HB       VAL  43  -5.210  -4.193  -9.058
  361   1HG1  VAL  43          1HG1      VAL  43  -5.680  -2.719 -10.934
  362   2HG1  VAL  43          2HG1      VAL  43  -3.972  -2.302 -11.082
  363   3HG1  VAL  43          3HG1      VAL  43  -4.888  -1.779  -9.668
  364   1HG2  VAL  43          1HG2      VAL  43  -4.398  -5.906 -10.346
  365   2HG2  VAL  43          2HG2      VAL  43  -2.977  -4.989 -10.852
  366   3HG2  VAL  43          3HG2      VAL  43  -4.534  -4.712 -11.638
  367    H    LEU  44           H        LEU  44  -1.765  -1.629  -7.963
  368    HA   LEU  44           HA       LEU  44  -3.609  -0.965  -5.723
  369   1HB   LEU  44          2HB       LEU  44  -0.741  -0.212  -6.322
  370   2HB   LEU  44          1HB       LEU  44  -1.668   0.541  -5.024
  371    HG   LEU  44           HG       LEU  44  -1.710  -2.435  -5.131
  372   1HD1  LEU  44          1HD1      LEU  44   0.461  -2.691  -4.131
  373   2HD1  LEU  44          2HD1      LEU  44   0.684  -0.944  -4.032
  374   3HD1  LEU  44          3HD1      LEU  44   0.684  -1.745  -5.604
  375   1HD2  LEU  44          1HD2      LEU  44  -2.160  -2.217  -2.884
  376   2HD2  LEU  44          2HD2      LEU  44  -2.673  -0.608  -3.396
  377   3HD2  LEU  44          3HD2      LEU  44  -1.071  -0.843  -2.693
  378    H    GLN  45           H        GLN  45  -4.605   1.027  -5.550
  379    HA   GLN  45           HA       GLN  45  -4.043   3.123  -7.569
  380   1HB   GLN  45          2HB       GLN  45  -6.640   3.320  -7.824
  381   2HB   GLN  45          1HB       GLN  45  -5.788   2.091  -8.757
  382   1HG   GLN  45          2HG       GLN  45  -6.501   0.347  -7.343
  383   2HG   GLN  45          1HG       GLN  45  -6.894   1.451  -6.027
  384   1HE2  GLN  45          1HE2      GLN  45  -8.879   2.798  -6.282
  385   2HE2  GLN  45          2HE2      GLN  45 -10.109   2.298  -7.339
  386    H    LYS  46           H        LYS  46  -5.018   5.215  -6.967
  387    HA   LYS  46           HA       LYS  46  -5.281   5.461  -4.011
  388   1HB   LYS  46          2HB       LYS  46  -4.420   7.279  -6.225
  389   2HB   LYS  46          1HB       LYS  46  -5.143   8.016  -4.794
  390   1HG   LYS  46          2HG       LYS  46  -3.444   6.247  -3.619
  391   2HG   LYS  46          1HG       LYS  46  -2.545   6.614  -5.089
  392   1HD   LYS  46          2HD       LYS  46  -2.209   8.816  -4.504
  393   2HD   LYS  46          1HD       LYS  46  -3.732   8.923  -3.616
  394   1HE   LYS  46          2HE       LYS  46  -2.733   7.436  -1.851
  395   2HE   LYS  46          1HE       LYS  46  -1.193   7.534  -2.704
  396   1HZ   LYS  46          1HZ       LYS  46  -1.838   9.204  -0.784
  397   2HZ   LYS  46          2HZ       LYS  46  -2.549  10.045  -2.078
  398   3HZ   LYS  46          3HZ       LYS  46  -0.889   9.683  -2.108
  399    H    GLY  47           H        GLY  47  -7.480   4.579  -5.958
  400   1HA   GLY  47          2HA       GLY  47  -9.841   4.807  -5.594
  401   2HA   GLY  47          1HA       GLY  47  -9.558   6.399  -4.888
  402    H    GLY  48           H        GLY  48  -8.972   4.773  -8.041
  403   1HA   GLY  48          2HA       GLY  48 -10.350   5.637  -9.978
  404   2HA   GLY  48          1HA       GLY  48 -10.008   7.254  -9.367
  405    H    SER  49           H        SER  49  -7.172   6.502  -8.697
  406    HA   SER  49           HA       SER  49  -6.105   6.503 -11.497
  407   1HB   SER  49          2HB       SER  49  -5.584   8.206  -9.192
  408   2HB   SER  49          1HB       SER  49  -4.100   7.485  -9.809
  409    HG   SER  49           HG       SER  49  -4.449   9.314 -10.997
  410    H    VAL  50           H        VAL  50  -4.962   4.701 -12.021
  411    HA   VAL  50           HA       VAL  50  -4.198   2.772  -9.951
  412    HB   VAL  50           HB       VAL  50  -3.670   2.761 -12.944
  413   1HG1  VAL  50          1HG1      VAL  50  -3.478   0.225 -12.408
  414   2HG1  VAL  50          2HG1      VAL  50  -3.219   0.747 -10.743
  415   3HG1  VAL  50          3HG1      VAL  50  -2.105   1.259 -12.013
  416   1HG2  VAL  50          1HG2      VAL  50  -6.102   2.586 -11.720
  417   2HG2  VAL  50          2HG2      VAL  50  -5.608   0.892 -11.699
  418   3HG2  VAL  50          3HG2      VAL  50  -5.709   1.763 -13.229
  419    H    LEU  51           H        LEU  51  -2.220   2.586  -9.028
  420    HA   LEU  51           HA       LEU  51  -0.146   4.561  -9.672
  421   1HB   LEU  51          2HB       LEU  51   0.137   2.263  -7.728
  422   2HB   LEU  51          1HB       LEU  51   0.955   3.821  -7.699
  423    HG   LEU  51           HG       LEU  51  -1.994   3.330  -7.184
  424   1HD1  LEU  51          1HD1      LEU  51   0.415   3.866  -5.484
  425   2HD1  LEU  51          2HD1      LEU  51  -0.947   2.784  -5.187
  426   3HD1  LEU  51          3HD1      LEU  51  -1.140   4.525  -4.976
  427   1HD2  LEU  51          1HD2      LEU  51  -2.237   5.693  -6.899
  428   2HD2  LEU  51          2HD2      LEU  51  -1.377   5.491  -8.425
  429   3HD2  LEU  51          3HD2      LEU  51  -0.494   5.953  -6.970
  430    H    LYS  52           H        LYS  52   1.442   4.198 -11.128
  431    HA   LYS  52           HA       LYS  52   1.876   1.443 -12.136
  432   1HB   LYS  52          2HB       LYS  52   1.993   4.093 -13.267
  433   2HB   LYS  52          1HB       LYS  52   3.534   3.273 -13.513
  434   1HG   LYS  52          2HG       LYS  52   0.857   2.005 -14.135
  435   2HG   LYS  52          1HG       LYS  52   1.828   2.863 -15.332
  436   1HD   LYS  52          2HD       LYS  52   3.727   1.226 -14.349
  437   2HD   LYS  52          1HD       LYS  52   2.307   0.218 -14.050
  438   1HE   LYS  52          2HE       LYS  52   1.690   0.232 -16.357
  439   2HE   LYS  52          1HE       LYS  52   2.829   1.529 -16.728
  440   1HZ   LYS  52          1HZ       LYS  52   4.627  -0.032 -16.045
  441   2HZ   LYS  52          2HZ       LYS  52   3.788  -0.510 -17.442
  442   3HZ   LYS  52          3HZ       LYS  52   3.468  -1.267 -15.953
  443    H    ASP  53           H        ASP  53   3.935   0.463 -12.162
  444    HA   ASP  53           HA       ASP  53   5.651   1.031  -9.908
  445   1HB   ASP  53          2HB       ASP  53   6.321  -0.716 -12.286
  446   2HB   ASP  53          1HB       ASP  53   6.972  -0.832 -10.652
  447    H    HIS  54           H        HIS  54   5.632   2.138 -13.209
  448    HA   HIS  54           HA       HIS  54   8.453   2.852 -13.314
  449   1HB   HIS  54          2HB       HIS  54   6.038   3.399 -15.013
  450   2HB   HIS  54          1HB       HIS  54   7.508   4.338 -15.271
  451    HD1  HIS  54           HD1      HIS  54   6.093   1.805 -16.961
  452    HD2  HIS  54           HD2      HIS  54   9.726   1.909 -14.925
  453    HE1  HIS  54           HE1      HIS  54   7.536  -0.023 -17.964
  454    H    ILE  55           H        ILE  55   5.802   4.227 -11.661
  455    HA   ILE  55           HA       ILE  55   7.110   6.918 -11.671
  456    HB   ILE  55           HB       ILE  55   4.254   6.116 -11.026
  457   1HG1  ILE  55          2HG1      ILE  55   4.140   8.038 -12.947
  458   2HG1  ILE  55          1HG1      ILE  55   5.673   7.275 -13.366
  459   1HG2  ILE  55          1HG2      ILE  55   5.826   8.592 -10.479
  460   2HG2  ILE  55          2HG2      ILE  55   4.466   7.905  -9.589
  461   3HG2  ILE  55          3HG2      ILE  55   4.182   8.805 -11.080
  462   1HD1  ILE  55          1HD1      ILE  55   4.361   5.038 -13.133
  463   2HD1  ILE  55          2HD1      ILE  55   4.106   6.012 -14.581
  464   3HD1  ILE  55          3HD1      ILE  55   2.923   6.049 -13.274
  465    H    SER  56           H        SER  56   7.690   7.850  -9.706
  466    HA   SER  56           HA       SER  56   8.173   6.033  -7.494
  467   1HB   SER  56          2HB       SER  56   9.475   8.212  -8.329
  468   2HB   SER  56          1HB       SER  56   8.433   8.983  -7.135
  469    HG   SER  56           HG       SER  56  10.206   8.315  -6.026
  470    H    LEU  57           H        LEU  57   7.311   6.211  -5.348
  471    HA   LEU  57           HA       LEU  57   4.498   6.690  -5.164
  472   1HB   LEU  57          2HB       LEU  57   6.657   6.391  -3.062
  473   2HB   LEU  57          1HB       LEU  57   4.957   6.600  -2.644
  474    HG   LEU  57           HG       LEU  57   5.845   4.454  -4.575
  475   1HD1  LEU  57          1HD1      LEU  57   6.012   2.889  -2.748
  476   2HD1  LEU  57          2HD1      LEU  57   5.470   4.104  -1.587
  477   3HD1  LEU  57          3HD1      LEU  57   7.052   4.260  -2.354
  478   1HD2  LEU  57          1HD2      LEU  57   3.494   4.490  -2.672
  479   2HD2  LEU  57          2HD2      LEU  57   3.715   3.498  -4.114
  480   3HD2  LEU  57          3HD2      LEU  57   3.401   5.227  -4.272
  481    H    GLU  58           H        GLU  58   7.299   8.748  -4.546
  482    HA   GLU  58           HA       GLU  58   6.030  10.852  -3.110
  483   1HB   GLU  58          2HB       GLU  58   8.576  10.375  -4.062
  484   2HB   GLU  58          1HB       GLU  58   8.050  11.726  -5.067
  485   1HG   GLU  58          2HG       GLU  58   7.486  11.883  -2.138
  486   2HG   GLU  58          1HG       GLU  58   9.153  12.117  -2.663
  487    H    ASP  59           H        ASP  59   6.222  10.180  -6.593
  488    HA   ASP  59           HA       ASP  59   5.111  12.644  -7.532
  489   1HB   ASP  59          2HB       ASP  59   4.991   9.845  -8.697
  490   2HB   ASP  59          1HB       ASP  59   4.464  11.291  -9.556
  491    H    TYR  60           H        TYR  60   3.574   9.558  -6.601
  492    HA   TYR  60           HA       TYR  60   0.876  10.470  -7.140
  493   1HB   TYR  60          2HB       TYR  60   1.964   8.161  -5.505
  494   2HB   TYR  60          1HB       TYR  60   0.242   8.440  -5.763
  495    HD1  TYR  60           HD1      TYR  60  -0.424   8.889  -8.317
  496    HD2  TYR  60           HD2      TYR  60   3.077   6.766  -7.010
  497    HE1  TYR  60           HE1      TYR  60  -0.274   7.776 -10.526
  498    HE2  TYR  60           HE2      TYR  60   3.225   5.652  -9.222
  499    HH   TYR  60           HH       TYR  60   1.437   6.692 -11.927
  500    H    GLU  61           H        GLU  61   3.090  11.026  -4.557
  501    HA   GLU  61           HA       GLU  61   2.887  12.344  -2.643
  502   1HB   GLU  61          2HB       GLU  61   0.889  13.311  -4.288
  503   2HB   GLU  61          1HB       GLU  61  -0.005  12.864  -2.836
  504   1HG   GLU  61          2HG       GLU  61   0.762  15.172  -2.632
  505   2HG   GLU  61          1HG       GLU  61   1.627  14.166  -1.472
  506    H    VAL  62           H        VAL  62   2.903   9.726  -2.181
  507    HA   VAL  62           HA       VAL  62   0.527   8.858  -0.683
  508    HB   VAL  62           HB       VAL  62   3.275   7.593  -0.971
  509   1HG1  VAL  62          1HG1      VAL  62   0.714   6.699   0.354
  510   2HG1  VAL  62          2HG1      VAL  62   2.356   6.670   0.999
  511   3HG1  VAL  62          3HG1      VAL  62   1.881   5.525  -0.256
  512   1HG2  VAL  62          1HG2      VAL  62   0.647   6.816  -2.272
  513   2HG2  VAL  62          2HG2      VAL  62   2.248   6.165  -2.621
  514   3HG2  VAL  62          3HG2      VAL  62   1.856   7.827  -3.064
  515    H    HIS  63           H        HIS  63   0.182   9.575   1.354
  516    HA   HIS  63           HA       HIS  63   2.469  10.592   2.953
  517   1HB   HIS  63          2HB       HIS  63  -0.531  10.856   3.175
  518   2HB   HIS  63          1HB       HIS  63   0.529  11.301   4.513
  519    HD1  HIS  63           HD1      HIS  63  -0.508  12.352   1.078
  520    HD2  HIS  63           HD2      HIS  63   2.198  13.576   4.002
  521    HE1  HIS  63           HE1      HIS  63   0.308  14.647   0.384
  522    H    ASP  64           H        ASP  64   2.381  10.047   5.366
  523    HA   ASP  64           HA       ASP  64   2.446   7.169   5.685
  524   1HB   ASP  64          2HB       ASP  64   3.074   7.629   8.000
  525   2HB   ASP  64          1HB       ASP  64   3.956   8.717   6.931
  526    H    GLN  65           H        GLN  65   0.994   5.829   6.757
  527    HA   GLN  65           HA       GLN  65  -1.072   5.087   7.558
  528   1HB   GLN  65          2HB       GLN  65  -0.428   7.470   9.025
  529   2HB   GLN  65          1HB       GLN  65  -2.164   7.452   8.722
  530   1HG   GLN  65          2HG       GLN  65  -1.632   6.271  10.819
  531   2HG   GLN  65          1HG       GLN  65  -2.301   5.158   9.628
  532   1HE2  GLN  65          1HE2      GLN  65   0.984   6.432  10.490
  533   2HE2  GLN  65          2HE2      GLN  65   1.751   4.922  10.371
  534    H    THR  66           H        THR  66  -0.912   6.211   4.863
  535    HA   THR  66           HA       THR  66  -3.469   7.653   4.510
  536    HB   THR  66           HB       THR  66  -1.380   8.256   3.209
  537    HG1  THR  66           HG1      THR  66  -2.920   9.047   2.049
  538   1HG2  THR  66          1HG2      THR  66  -0.258   6.665   2.097
  539   2HG2  THR  66          2HG2      THR  66  -1.685   6.335   1.115
  540   3HG2  THR  66          3HG2      THR  66  -1.435   5.463   2.627
  541    H    ASN  67           H        ASN  67  -5.151   6.801   3.076
  542    HA   ASN  67           HA       ASN  67  -5.349   3.839   3.273
  543   1HB   ASN  67          2HB       ASN  67  -7.174   5.759   3.912
  544   2HB   ASN  67          1HB       ASN  67  -7.658   5.395   2.256
  545   1HD2  ASN  67          1HD2      ASN  67  -7.444   4.076   5.526
  546   2HD2  ASN  67          2HD2      ASN  67  -8.274   2.632   5.193
  547    H    LEU  68           H        LEU  68  -4.927   2.656   1.500
  548    HA   LEU  68           HA       LEU  68  -5.198   3.944  -1.191
  549   1HB   LEU  68          2HB       LEU  68  -3.104   2.214   0.022
  550   2HB   LEU  68          1HB       LEU  68  -3.515   1.872  -1.657
  551    HG   LEU  68           HG       LEU  68  -3.132   4.734  -0.931
  552   1HD1  LEU  68          1HD1      LEU  68  -1.150   2.728  -0.330
  553   2HD1  LEU  68          2HD1      LEU  68  -1.048   4.477  -0.121
  554   3HD1  LEU  68          3HD1      LEU  68  -0.575   3.744  -1.654
  555   1HD2  LEU  68          1HD2      LEU  68  -2.420   2.936  -3.267
  556   2HD2  LEU  68          2HD2      LEU  68  -1.975   4.642  -3.186
  557   3HD2  LEU  68          3HD2      LEU  68  -3.676   4.174  -3.215
  558    H    GLU  69           H        GLU  69  -5.669   2.324  -2.958
  559    HA   GLU  69           HA       GLU  69  -7.625   0.294  -1.971
  560   1HB   GLU  69          2HB       GLU  69  -7.461   2.027  -4.391
  561   2HB   GLU  69          1HB       GLU  69  -8.151   0.420  -4.609
  562   1HG   GLU  69          2HG       GLU  69  -9.132   1.824  -2.211
  563   2HG   GLU  69          1HG       GLU  69  -9.554   2.615  -3.729
  564    H    LEU  70           H        LEU  70  -7.480  -1.852  -2.721
  565    HA   LEU  70           HA       LEU  70  -5.047  -2.538  -4.315
  566   1HB   LEU  70          2HB       LEU  70  -4.552  -3.042  -1.988
  567   2HB   LEU  70          1HB       LEU  70  -6.076  -3.909  -1.810
  568    HG   LEU  70           HG       LEU  70  -5.313  -5.542  -3.532
  569   1HD1  LEU  70          1HD1      LEU  70  -2.555  -4.357  -3.262
  570   2HD1  LEU  70          2HD1      LEU  70  -3.658  -3.777  -4.510
  571   3HD1  LEU  70          3HD1      LEU  70  -3.166  -5.471  -4.486
  572   1HD2  LEU  70          1HD2      LEU  70  -3.033  -5.791  -1.771
  573   2HD2  LEU  70          2HD2      LEU  70  -4.512  -6.751  -1.808
  574   3HD2  LEU  70          3HD2      LEU  70  -4.447  -5.267  -0.856
  575    H    TYR  71           H        TYR  71  -5.343  -4.149  -5.833
  576    HA   TYR  71           HA       TYR  71  -7.911  -5.641  -5.860
  577   1HB   TYR  71          2HB       TYR  71  -6.924  -3.728  -7.964
  578   2HB   TYR  71          1HB       TYR  71  -7.924  -5.106  -8.422
  579    HD1  TYR  71           HD1      TYR  71  -7.952  -1.755  -7.233
  580    HD2  TYR  71           HD2      TYR  71 -10.112  -5.464  -7.014
  581    HE1  TYR  71           HE1      TYR  71  -9.977  -0.532  -6.492
  582    HE2  TYR  71           HE2      TYR  71 -12.138  -4.241  -6.274
  583    HH   TYR  71           HH       TYR  71 -12.713  -1.212  -6.693
  584    H    TYR  72           H        TYR  72  -7.760  -7.652  -6.958
  585    HA   TYR  72           HA       TYR  72  -4.955  -8.506  -7.486
  586   1HB   TYR  72          2HB       TYR  72  -7.447 -10.181  -7.035
  587   2HB   TYR  72          1HB       TYR  72  -5.804 -10.801  -7.209
  588    HD1  TYR  72           HD1      TYR  72  -4.146  -9.030  -5.661
  589    HD2  TYR  72           HD2      TYR  72  -8.119 -10.424  -4.802
  590    HE1  TYR  72           HE1      TYR  72  -3.753  -8.660  -3.243
  591    HE2  TYR  72           HE2      TYR  72  -7.724 -10.055  -2.381
  592    HH   TYR  72           HH       TYR  72  -5.812  -8.249  -1.085
  593    H    LEU  73           HN       LEU  73  -4.393  -8.382  -9.586
  594    HA   LEU  73           HA       LEU  73  -6.023  -9.722 -11.620
  595   1HB   LEU  73          2HB       LEU  73  -6.527  -7.031 -11.236
  596   2HB   LEU  73          1HB       LEU  73  -5.331  -7.010 -12.530
  597    HG   LEU  73           HG       LEU  73  -7.185  -9.116 -13.084
  598   1HD1  LEU  73          1HD1      LEU  73  -9.256  -7.740 -13.326
  599   2HD1  LEU  73          2HD1      LEU  73  -8.457  -6.438 -12.440
  600   3HD1  LEU  73          3HD1      LEU  73  -8.785  -7.978 -11.642
  601   1HD2  LEU  73          1HD2      LEU  73  -5.801  -7.741 -14.678
  602   2HD2  LEU  73          2HD2      LEU  73  -6.900  -6.391 -14.391
  603   3HD2  LEU  73          3HD2      LEU  73  -7.498  -7.871 -15.145
  Start of MODEL   11
    1    H    MET   1           1H       MET   1  10.617   6.715   5.634
    2    HA   MET   1           HA       MET   1   9.623   4.762   5.020
    3   1HB   MET   1          2HB       MET   1  11.068   3.720   7.137
    4   2HB   MET   1          1HB       MET   1   9.399   3.474   7.651
    5   1HG   MET   1          2HG       MET   1   8.891   2.120   5.812
    6   2HG   MET   1          1HG       MET   1  10.206   2.780   4.841
    7   1HE   MET   1          1HE       MET   1  10.679  -0.547   4.665
    8   2HE   MET   1          2HE       MET   1  12.298   0.145   4.606
    9   3HE   MET   1          3HE       MET   1  10.933   1.062   3.974
   10    H    ILE   2           H        ILE   2   7.385   4.468   4.979
   11    HA   ILE   2           HA       ILE   2   5.815   5.778   7.163
   12    HB   ILE   2           HB       ILE   2   4.211   6.547   5.402
   13   1HG1  ILE   2          2HG1      ILE   2   6.256   6.247   3.275
   14   2HG1  ILE   2          1HG1      ILE   2   5.460   4.754   3.771
   15   1HG2  ILE   2          1HG2      ILE   2   6.778   7.598   6.059
   16   2HG2  ILE   2          2HG2      ILE   2   5.341   8.483   5.544
   17   3HG2  ILE   2          3HG2      ILE   2   6.501   7.909   4.345
   18   1HD1  ILE   2          1HD1      ILE   2   4.263   5.909   1.911
   19   2HD1  ILE   2          2HD1      ILE   2   4.003   7.290   2.977
   20   3HD1  ILE   2          3HD1      ILE   2   3.267   5.733   3.356
   21    H    GLU   3           H        GLU   3   3.549   4.996   7.272
   22    HA   GLU   3           HA       GLU   3   3.402   2.100   6.572
   23   1HB   GLU   3          2HB       GLU   3   2.916   3.408   8.964
   24   2HB   GLU   3          1HB       GLU   3   1.295   3.187   8.309
   25   1HG   GLU   3          2HG       GLU   3   3.345   0.963   8.527
   26   2HG   GLU   3          1HG       GLU   3   2.092   1.265   9.729
   27    H    VAL   4           H        VAL   4   1.810   1.372   5.184
   28    HA   VAL   4           HA       VAL   4  -0.204   3.383   4.248
   29    HB   VAL   4           HB       VAL   4   0.905   1.194   2.489
   30   1HG1  VAL   4          1HG1      VAL   4   0.224   2.987   0.758
   31   2HG1  VAL   4          2HG1      VAL   4  -0.633   3.759   2.091
   32   3HG1  VAL   4          3HG1      VAL   4  -1.073   2.128   1.587
   33   1HG2  VAL   4          1HG2      VAL   4   2.691   2.504   1.791
   34   2HG2  VAL   4          2HG2      VAL   4   2.626   2.976   3.487
   35   3HG2  VAL   4          3HG2      VAL   4   1.903   4.011   2.256
   36    H    VAL   5           H        VAL   5  -2.249   2.465   3.544
   37    HA   VAL   5           HA       VAL   5  -2.763  -0.323   4.489
   38    HB   VAL   5           HB       VAL   5  -4.642   2.013   4.968
   39   1HG1  VAL   5          1HG1      VAL   5  -5.497   0.223   6.675
   40   2HG1  VAL   5          2HG1      VAL   5  -4.621  -0.920   5.655
   41   3HG1  VAL   5          3HG1      VAL   5  -5.927   0.050   4.974
   42   1HG2  VAL   5          1HG2      VAL   5  -3.949   1.701   7.386
   43   2HG2  VAL   5          2HG2      VAL   5  -2.694   2.384   6.352
   44   3HG2  VAL   5          3HG2      VAL   5  -2.630   0.682   6.810
   45    H    VAL   6           H        VAL   6  -3.350  -1.400   2.668
   46    HA   VAL   6           HA       VAL   6  -4.852   0.057   0.553
   47    HB   VAL   6           HB       VAL   6  -4.267  -1.827  -0.911
   48   1HG1  VAL   6          1HG1      VAL   6  -1.635  -1.419   0.338
   49   2HG1  VAL   6          2HG1      VAL   6  -2.539   0.073   0.084
   50   3HG1  VAL   6          3HG1      VAL   6  -2.193  -0.991  -1.279
   51   1HG2  VAL   6          1HG2      VAL   6  -2.940  -2.971   1.571
   52   2HG2  VAL   6          2HG2      VAL   6  -2.773  -3.624  -0.058
   53   3HG2  VAL   6          3HG2      VAL   6  -4.344  -3.644   0.742
   54    H    ASN   7           H        ASN   7  -6.937  -0.479   0.018
   55    HA   ASN   7           HA       ASN   7  -8.270  -2.546   1.713
   56   1HB   ASN   7          2HB       ASN   7  -9.637  -0.407   0.061
   57   2HB   ASN   7          1HB       ASN   7 -10.318  -1.353   1.384
   58   1HD2  ASN   7          1HD2      ASN   7  -9.150  -0.992   3.596
   59   2HD2  ASN   7          2HD2      ASN   7  -8.620   0.585   3.930
   60    H    ASP   8           H        ASP   8  -8.879  -4.411   0.731
   61    HA   ASP   8           HA       ASP   8  -8.460  -4.806  -2.108
   62   1HB   ASP   8          2HB       ASP   8  -9.548  -6.507   0.125
   63   2HB   ASP   8          1HB       ASP   8  -9.664  -7.051  -1.549
   64    H    ARG   9           H        ARG   9 -11.468  -5.140  -0.162
   65    HA   ARG   9           HA       ARG   9 -12.965  -3.933  -2.439
   66   1HB   ARG   9          2HB       ARG   9 -13.312  -6.672  -1.278
   67   2HB   ARG   9          1HB       ARG   9 -14.757  -5.790  -1.773
   68   1HG   ARG   9          2HG       ARG   9 -14.318  -6.574  -3.854
   69   2HG   ARG   9          1HG       ARG   9 -13.039  -5.362  -3.896
   70   1HD   ARG   9          2HD       ARG   9 -11.777  -7.356  -2.538
   71   2HD   ARG   9          1HD       ARG   9 -12.847  -8.302  -3.575
   72    HE   ARG   9           HE       ARG   9 -11.710  -6.490  -5.324
   73   1HH1  ARG   9          1HH2      ARG   9 -11.078  -9.437  -5.361
   74   2HH1  ARG   9          2HH2      ARG   9  -9.359  -9.435  -5.150
   75   1HH2  ARG   9          2HH1      ARG   9  -9.237  -6.151  -4.013
   76   2HH2  ARG   9          1HH1      ARG   9  -8.313  -7.570  -4.383
   77    H    LEU  10           H        LEU  10 -13.747  -5.443   0.725
   78    HA   LEU  10           HA       LEU  10 -14.496  -2.860   1.878
   79   1HB   LEU  10          2HB       LEU  10 -16.462  -4.153   0.400
   80   2HB   LEU  10          1HB       LEU  10 -16.804  -4.659   2.054
   81    HG   LEU  10           HG       LEU  10 -16.143  -1.831   1.953
   82   1HD1  LEU  10          1HD1      LEU  10 -18.635  -1.570   0.864
   83   2HD1  LEU  10          2HD1      LEU  10 -17.991  -2.906  -0.091
   84   3HD1  LEU  10          3HD1      LEU  10 -17.137  -1.363  -0.044
   85   1HD2  LEU  10          1HD2      LEU  10 -18.884  -2.743   2.610
   86   2HD2  LEU  10          2HD2      LEU  10 -17.772  -1.756   3.556
   87   3HD2  LEU  10          3HD2      LEU  10 -17.596  -3.511   3.539
   88    H    GLY  11           H        GLY  11 -13.490  -3.148   3.813
   89   1HA   GLY  11          2HA       GLY  11 -13.539  -4.019   6.072
   90   2HA   GLY  11          1HA       GLY  11 -14.232  -5.517   5.451
   91    H    LYS  12           H        LYS  12 -12.534  -6.289   3.478
   92    HA   LYS  12           HA       LYS  12 -10.198  -7.191   4.957
   93   1HB   LYS  12          2HB       LYS  12 -11.534  -8.418   3.080
   94   2HB   LYS  12          1HB       LYS  12 -10.526  -7.483   1.976
   95   1HG   LYS  12          2HG       LYS  12  -8.505  -8.355   3.189
   96   2HG   LYS  12          1HG       LYS  12  -9.574  -9.405   4.119
   97   1HD   LYS  12          2HD       LYS  12  -9.476 -10.911   2.453
   98   2HD   LYS  12          1HD       LYS  12 -10.290  -9.753   1.401
   99   1HE   LYS  12          2HE       LYS  12  -7.834  -8.725   1.242
  100   2HE   LYS  12          1HE       LYS  12  -7.377 -10.381   1.636
  101   1HZ   LYS  12          1HZ       LYS  12  -8.549 -11.192  -0.242
  102   2HZ   LYS  12          2HZ       LYS  12  -7.596  -9.896  -0.783
  103   3HZ   LYS  12          3HZ       LYS  12  -9.262  -9.683  -0.547
  104    H    LYS  13           H        LYS  13  -8.296  -6.125   5.112
  105    HA   LYS  13           HA       LYS  13  -7.341  -4.448   2.862
  106   1HB   LYS  13          2HB       LYS  13  -6.918  -2.511   4.271
  107   2HB   LYS  13          1HB       LYS  13  -8.626  -2.932   4.392
  108   1HG   LYS  13          2HG       LYS  13  -7.990  -4.303   6.462
  109   2HG   LYS  13          1HG       LYS  13  -6.430  -3.483   6.397
  110   1HD   LYS  13          2HD       LYS  13  -7.289  -1.580   7.253
  111   2HD   LYS  13          1HD       LYS  13  -8.659  -1.613   6.141
  112   1HE   LYS  13          2HE       LYS  13  -9.312  -3.679   7.792
  113   2HE   LYS  13          1HE       LYS  13  -8.455  -2.625   8.917
  114   1HZ   LYS  13          1HZ       LYS  13  -9.886  -0.791   8.182
  115   2HZ   LYS  13          2HZ       LYS  13 -10.779  -2.060   8.871
  116   3HZ   LYS  13          3HZ       LYS  13 -10.744  -1.861   7.184
  117    H    VAL  14           H        VAL  14  -5.030  -4.054   2.966
  118    HA   VAL  14           HA       VAL  14  -3.593  -5.835   4.902
  119    HB   VAL  14           HB       VAL  14  -2.654  -5.175   2.096
  120   1HG1  VAL  14          1HG1      VAL  14  -0.810  -5.947   3.307
  121   2HG1  VAL  14          2HG1      VAL  14  -1.444  -7.446   2.627
  122   3HG1  VAL  14          3HG1      VAL  14  -1.790  -7.023   4.305
  123   1HG2  VAL  14          1HG2      VAL  14  -3.694  -7.081   1.249
  124   2HG2  VAL  14          2HG2      VAL  14  -4.915  -6.525   2.392
  125   3HG2  VAL  14          3HG2      VAL  14  -3.827  -7.840   2.835
  126    H    ARG  15           H        ARG  15  -1.659  -5.014   5.789
  127    HA   ARG  15           HA       ARG  15  -1.253  -2.082   5.412
  128   1HB   ARG  15          2HB       ARG  15  -0.155  -2.106   7.606
  129   2HB   ARG  15          1HB       ARG  15  -1.755  -2.835   7.730
  130   1HG   ARG  15          2HG       ARG  15  -0.693  -4.570   8.734
  131   2HG   ARG  15          1HG       ARG  15  -0.165  -5.008   7.111
  132   1HD   ARG  15          2HD       ARG  15   1.909  -4.861   8.081
  133   2HD   ARG  15          1HD       ARG  15   1.710  -3.156   7.683
  134    HE   ARG  15           HE       ARG  15   1.111  -4.289  10.388
  135   1HH1  ARG  15          1HH2      ARG  15   3.752  -2.974  10.031
  136   2HH1  ARG  15          2HH2      ARG  15   3.428  -1.341  10.510
  137   1HH2  ARG  15          2HH1      ARG  15  -0.020  -1.669  10.246
  138   2HH2  ARG  15          1HH1      ARG  15   1.287  -0.601  10.633
  139    H    VAL  16           H        VAL  16   0.744  -1.310   4.745
  140    HA   VAL  16           HA       VAL  16   3.038  -3.166   4.587
  141    HB   VAL  16           HB       VAL  16   1.855  -3.553   2.478
  142   1HG1  VAL  16          1HG1      VAL  16   1.966  -0.544   2.278
  143   2HG1  VAL  16          2HG1      VAL  16   0.567  -1.604   2.127
  144   3HG1  VAL  16          3HG1      VAL  16   1.779  -1.557   0.848
  145   1HG2  VAL  16          1HG2      VAL  16   4.542  -2.528   2.704
  146   2HG2  VAL  16          2HG2      VAL  16   3.867  -2.067   1.141
  147   3HG2  VAL  16          3HG2      VAL  16   3.921  -3.766   1.613
  148    H    LYS  17           H        LYS  17   4.917  -2.083   4.993
  149    HA   LYS  17           HA       LYS  17   4.766   0.892   5.102
  150   1HB   LYS  17          2HB       LYS  17   6.706   0.738   6.649
  151   2HB   LYS  17          1HB       LYS  17   5.315  -0.171   7.234
  152   1HG   LYS  17          2HG       LYS  17   6.836  -1.928   5.579
  153   2HG   LYS  17          1HG       LYS  17   7.961  -1.136   6.681
  154   1HD   LYS  17          2HD       LYS  17   7.241  -2.415   8.383
  155   2HD   LYS  17          1HD       LYS  17   5.589  -1.845   8.141
  156   1HE   LYS  17          2HE       LYS  17   6.310  -3.728   6.061
  157   2HE   LYS  17          1HE       LYS  17   6.574  -4.445   7.654
  158   1HZ   LYS  17          1HZ       LYS  17   4.078  -2.996   6.993
  159   2HZ   LYS  17          2HZ       LYS  17   4.359  -4.097   8.262
  160   3HZ   LYS  17          3HZ       LYS  17   4.268  -4.647   6.655
  161    H    CYS  18           H        CYS  18   6.146   2.147   3.913
  162    HA   CYS  18           HA       CYS  18   8.566   1.055   2.668
  163   1HB   CYS  18          2HB       CYS  18   7.837   1.534   0.348
  164   2HB   CYS  18          1HB       CYS  18   6.841   0.280   1.086
  165    HG   CYS  18           HG       CYS  18   4.888   1.903   1.260
  166    H    LEU  19           H        LEU  19   9.556   2.873   1.195
  167    HA   LEU  19           HA       LEU  19   9.323   5.405   2.707
  168   1HB   LEU  19          2HB       LEU  19  11.334   4.182   0.871
  169   2HB   LEU  19          1HB       LEU  19  11.256   5.942   0.928
  170    HG   LEU  19           HG       LEU  19  11.106   4.952   3.612
  171   1HD1  LEU  19          1HD1      LEU  19  13.608   4.035   2.183
  172   2HD1  LEU  19          2HD1      LEU  19  12.247   2.951   2.476
  173   3HD1  LEU  19          3HD1      LEU  19  13.105   3.678   3.834
  174   1HD2  LEU  19          1HD2      LEU  19  12.024   7.149   2.530
  175   2HD2  LEU  19          2HD2      LEU  19  13.525   6.238   2.357
  176   3HD2  LEU  19          3HD2      LEU  19  12.835   6.507   3.958
  177    H    ALA  20           H        ALA  20   8.706   7.372   1.762
  178    HA   ALA  20           HA       ALA  20   6.805   7.273  -0.389
  179   1HB   ALA  20          1HB       ALA  20   6.908   9.015   1.450
  180   2HB   ALA  20          2HB       ALA  20   6.688   9.667  -0.173
  181   3HB   ALA  20          3HB       ALA  20   8.274   9.732   0.596
  182    H    GLU  21           H        GLU  21  10.269   7.616  -0.345
  183    HA   GLU  21           HA       GLU  21  10.484   8.836  -2.989
  184   1HB   GLU  21          2HB       GLU  21  12.901   8.339  -2.754
  185   2HB   GLU  21          1HB       GLU  21  12.271   9.164  -1.331
  186   1HG   GLU  21          2HG       GLU  21  13.161   7.479  -0.113
  187   2HG   GLU  21          1HG       GLU  21  11.872   6.463  -0.754
  188    H    ASP  22           H        ASP  22  10.197   5.600  -1.703
  189    HA   ASP  22           HA       ASP  22  11.326   4.163  -3.903
  190   1HB   ASP  22          2HB       ASP  22   9.556   3.524  -1.604
  191   2HB   ASP  22          1HB       ASP  22   9.465   2.425  -2.979
  192    H    SER  23           H        SER  23  10.181   3.033  -5.619
  193    HA   SER  23           HA       SER  23   7.962   4.643  -6.706
  194   1HB   SER  23          2HB       SER  23   8.320   3.333  -8.758
  195   2HB   SER  23          1HB       SER  23   9.841   3.997  -8.173
  196    HG   SER  23           HG       SER  23   9.935   1.745  -8.756
  197    H    VAL  24           H        VAL  24   6.207   3.259  -7.910
  198    HA   VAL  24           HA       VAL  24   4.685   1.840  -5.940
  199    HB   VAL  24           HB       VAL  24   4.382   1.775  -8.959
  200   1HG1  VAL  24          1HG1      VAL  24   1.942   1.621  -7.412
  201   2HG1  VAL  24          2HG1      VAL  24   3.041   0.325  -6.941
  202   3HG1  VAL  24          3HG1      VAL  24   2.555   0.500  -8.628
  203   1HG2  VAL  24          1HG2      VAL  24   3.460   3.697  -6.823
  204   2HG2  VAL  24          2HG2      VAL  24   2.566   3.525  -8.333
  205   3HG2  VAL  24          3HG2      VAL  24   4.246   4.056  -8.360
  206    H    GLY  25           H        GLY  25   7.039   0.780  -8.340
  207   1HA   GLY  25          2HA       GLY  25   6.423  -2.002  -8.416
  208   2HA   GLY  25          1HA       GLY  25   8.029  -1.321  -8.687
  209    H    ASP  26           H        ASP  26   8.546  -0.132  -6.232
  210    HA   ASP  26           HA       ASP  26   9.357  -2.359  -4.599
  211   1HB   ASP  26          2HB       ASP  26  10.530  -0.161  -4.615
  212   2HB   ASP  26          1HB       ASP  26   9.123   0.579  -3.852
  213    H    PHE  27           H        PHE  27   6.638  -0.084  -4.458
  214    HA   PHE  27           HA       PHE  27   5.564  -0.841  -1.923
  215   1HB   PHE  27          2HB       PHE  27   4.880   1.140  -3.375
  216   2HB   PHE  27          1HB       PHE  27   3.971   0.002  -4.364
  217    HD1  PHE  27           HD1      PHE  27   2.232  -1.501  -3.149
  218    HD2  PHE  27           HD2      PHE  27   3.918   2.061  -1.439
  219    HE1  PHE  27           HE1      PHE  27   0.332  -1.362  -1.563
  220    HE2  PHE  27           HE2      PHE  27   2.017   2.197   0.145
  221    HZ   PHE  27           HZ       PHE  27   0.224   0.486   0.084
  222    H    LYS  28           H        LYS  28   4.943  -2.086  -5.213
  223    HA   LYS  28           HA       LYS  28   3.007  -4.066  -4.417
  224   1HB   LYS  28          2HB       LYS  28   4.739  -3.691  -6.862
  225   2HB   LYS  28          1HB       LYS  28   3.697  -5.103  -6.685
  226   1HG   LYS  28          2HG       LYS  28   1.782  -3.493  -6.235
  227   2HG   LYS  28          1HG       LYS  28   2.863  -2.194  -6.741
  228   1HD   LYS  28          2HD       LYS  28   3.232  -3.842  -8.823
  229   2HD   LYS  28          1HD       LYS  28   1.608  -4.357  -8.367
  230   1HE   LYS  28          2HE       LYS  28   0.843  -2.580  -9.530
  231   2HE   LYS  28          1HE       LYS  28   1.486  -1.573  -8.233
  232   1HZ   LYS  28          1HZ       LYS  28   3.561  -1.391  -9.401
  233   2HZ   LYS  28          2HZ       LYS  28   2.303  -0.933 -10.447
  234   3HZ   LYS  28          3HZ       LYS  28   3.035  -2.458 -10.609
  235    H    LYS  29           H        LYS  29   6.541  -4.083  -4.658
  236    HA   LYS  29           HA       LYS  29   6.889  -6.933  -4.438
  237   1HB   LYS  29          2HB       LYS  29   8.704  -4.589  -3.825
  238   2HB   LYS  29          1HB       LYS  29   9.224  -6.265  -3.644
  239   1HG   LYS  29          2HG       LYS  29   9.072  -6.699  -5.943
  240   2HG   LYS  29          1HG       LYS  29   7.972  -5.350  -6.223
  241   1HD   LYS  29          2HD       LYS  29   9.763  -4.129  -6.839
  242   2HD   LYS  29          1HD       LYS  29  10.286  -4.177  -5.155
  243   1HE   LYS  29          2HE       LYS  29  11.164  -6.596  -5.913
  244   2HE   LYS  29          1HE       LYS  29  11.230  -5.787  -7.480
  245   1HZ   LYS  29          1HZ       LYS  29  12.644  -4.122  -6.606
  246   2HZ   LYS  29          2HZ       LYS  29  13.290  -5.610  -6.102
  247   3HZ   LYS  29          3HZ       LYS  29  12.413  -4.646  -5.010
  248    H    VAL  30           H        VAL  30   6.948  -4.318  -1.985
  249    HA   VAL  30           HA       VAL  30   7.389  -6.131   0.234
  250    HB   VAL  30           HB       VAL  30   6.212  -3.332   0.298
  251   1HG1  VAL  30          1HG1      VAL  30   7.274  -5.250   2.346
  252   2HG1  VAL  30          2HG1      VAL  30   5.885  -4.168   2.444
  253   3HG1  VAL  30          3HG1      VAL  30   7.519  -3.521   2.595
  254   1HG2  VAL  30          1HG2      VAL  30   8.945  -3.387   1.094
  255   2HG2  VAL  30          2HG2      VAL  30   8.251  -2.589  -0.317
  256   3HG2  VAL  30          3HG2      VAL  30   8.841  -4.246  -0.443
  257    H    LEU  31           H        LEU  31   4.504  -4.664  -1.237
  258    HA   LEU  31           HA       LEU  31   2.635  -5.618   0.740
  259   1HB   LEU  31          2HB       LEU  31   2.116  -3.773  -0.826
  260   2HB   LEU  31          1HB       LEU  31   2.178  -4.906  -2.175
  261    HG   LEU  31           HG       LEU  31   0.366  -6.240  -0.965
  262   1HD1  LEU  31          1HD1      LEU  31  -1.003  -4.869   0.636
  263   2HD1  LEU  31          2HD1      LEU  31   0.285  -3.664   0.636
  264   3HD1  LEU  31          3HD1      LEU  31   0.593  -5.286   1.258
  265   1HD2  LEU  31          1HD2      LEU  31  -1.429  -4.715  -1.749
  266   2HD2  LEU  31          2HD2      LEU  31  -0.113  -4.821  -2.918
  267   3HD2  LEU  31          3HD2      LEU  31  -0.250  -3.408  -1.872
  268    H    SER  32           H        SER  32   3.543  -6.864  -2.494
  269    HA   SER  32           HA       SER  32   1.876  -9.148  -2.533
  270   1HB   SER  32          2HB       SER  32   3.429 -10.052  -4.200
  271   2HB   SER  32          1HB       SER  32   3.141  -8.341  -4.494
  272    HG   SER  32           HG       SER  32   5.309  -8.542  -4.568
  273    H    LEU  33           H        LEU  33   4.886  -8.627  -0.784
  274    HA   LEU  33           HA       LEU  33   5.528 -11.389  -0.309
  275   1HB   LEU  33          2HB       LEU  33   6.287  -8.772   0.930
  276   2HB   LEU  33          1HB       LEU  33   6.637 -10.250   1.827
  277    HG   LEU  33           HG       LEU  33   7.383 -10.030  -1.081
  278   1HD1  LEU  33          1HD1      LEU  33   8.273  -8.112   0.545
  279   2HD1  LEU  33          2HD1      LEU  33   9.333  -8.865  -0.646
  280   3HD1  LEU  33          3HD1      LEU  33   9.393  -9.384   1.038
  281   1HD2  LEU  33          1HD2      LEU  33   7.647 -12.227  -0.259
  282   2HD2  LEU  33          2HD2      LEU  33   8.211 -11.666   1.316
  283   3HD2  LEU  33          3HD2      LEU  33   9.263 -11.539  -0.095
  284    H    GLN  34           H        GLN  34   3.414  -9.085   1.371
  285    HA   GLN  34           HA       GLN  34   2.893 -10.939   3.584
  286   1HB   GLN  34          2HB       GLN  34   1.635  -8.294   2.802
  287   2HB   GLN  34          1HB       GLN  34   1.206  -9.202   4.253
  288   1HG   GLN  34          2HG       GLN  34   3.335  -8.905   5.220
  289   2HG   GLN  34          1HG       GLN  34   4.078  -8.491   3.675
  290   1HE2  GLN  34          1HE2      GLN  34   3.011  -6.392   2.632
  291   2HE2  GLN  34          2HE2      GLN  34   2.719  -5.117   3.713
  292    H    ILE  35           H        ILE  35   0.981  -9.646   0.832
  293    HA   ILE  35           HA       ILE  35  -1.294 -11.363   1.418
  294    HB   ILE  35           HB       ILE  35  -2.061 -10.667  -0.902
  295   1HG1  ILE  35          2HG1      ILE  35   0.383  -8.880  -0.769
  296   2HG1  ILE  35          1HG1      ILE  35   0.265 -10.306  -1.795
  297   1HG2  ILE  35          1HG2      ILE  35  -1.266  -8.229   0.649
  298   2HG2  ILE  35          2HG2      ILE  35  -2.354  -9.407   1.386
  299   3HG2  ILE  35          3HG2      ILE  35  -2.806  -8.612  -0.122
  300   1HD1  ILE  35          1HD1      ILE  35  -0.694  -8.995  -3.356
  301   2HD1  ILE  35          2HD1      ILE  35  -0.806  -7.644  -2.229
  302   3HD1  ILE  35          3HD1      ILE  35  -2.089  -8.853  -2.287
  303    H    GLY  36           H        GLY  36   1.639 -11.766  -0.447
  304   1HA   GLY  36          2HA       GLY  36   2.480 -13.688  -1.517
  305   2HA   GLY  36          1HA       GLY  36   1.118 -14.589  -0.842
  306    H    THR  37           H        THR  37   0.988 -11.702  -2.892
  307    HA   THR  37           HA       THR  37  -0.495 -13.306  -4.936
  308    HB   THR  37           HB       THR  37  -0.796 -10.327  -4.632
  309    HG1  THR  37           HG1      THR  37  -2.176 -12.311  -3.144
  310   1HG2  THR  37          1HG2      THR  37  -2.389 -10.648  -6.171
  311   2HG2  THR  37          2HG2      THR  37  -3.197 -11.820  -5.131
  312   3HG2  THR  37          3HG2      THR  37  -1.937 -12.352  -6.244
  313    H    GLN  38           H        GLN  38   2.479 -11.998  -4.462
  314    HA   GLN  38           HA       GLN  38   4.215 -11.390  -5.895
  315   1HB   GLN  38          2HB       GLN  38   2.200 -12.466  -7.861
  316   2HB   GLN  38          1HB       GLN  38   3.678 -11.695  -8.434
  317   1HG   GLN  38          2HG       GLN  38   5.032 -13.259  -7.113
  318   2HG   GLN  38          1HG       GLN  38   3.568 -14.019  -6.487
  319   1HE2  GLN  38          1HE2      GLN  38   5.377 -13.431  -9.533
  320   2HE2  GLN  38          2HE2      GLN  38   4.722 -14.760 -10.361
  321    HA   PRO  39           HA       PRO  39   3.381  -7.187  -6.870
  322   1HB   PRO  39          2HB       PRO  39   5.567  -6.638  -8.446
  323   2HB   PRO  39          1HB       PRO  39   5.637  -6.803  -6.683
  324   1HG   PRO  39          2HG       PRO  39   6.537  -8.720  -8.786
  325   2HG   PRO  39          1HG       PRO  39   7.136  -8.506  -7.133
  326   1HD   PRO  39          2HD       PRO  39   5.405 -10.560  -7.995
  327   2HD   PRO  39          1HD       PRO  39   5.708 -10.100  -6.304
  328    H    ASN  40           H        ASN  40   3.564  -9.555  -9.406
  329    HA   ASN  40           HA       ASN  40   2.700  -7.622 -11.480
  330   1HB   ASN  40          2HB       ASN  40   3.620 -10.490 -11.525
  331   2HB   ASN  40          1HB       ASN  40   2.793  -9.787 -12.916
  332   1HD2  ASN  40          1HD2      ASN  40   5.789  -9.754 -11.059
  333   2HD2  ASN  40          2HD2      ASN  40   6.639  -8.712 -12.095
  334    H    LYS  41           H        LYS  41   1.186  -9.570  -9.152
  335    HA   LYS  41           HA       LYS  41  -1.258  -9.811 -10.866
  336   1HB   LYS  41          2HB       LYS  41   0.060 -11.817  -9.431
  337   2HB   LYS  41          1HB       LYS  41  -1.317 -11.391  -8.412
  338   1HG   LYS  41          2HG       LYS  41  -2.459 -11.434 -10.918
  339   2HG   LYS  41          1HG       LYS  41  -1.273 -12.731 -11.035
  340   1HD   LYS  41          2HD       LYS  41  -2.784 -14.035  -9.974
  341   2HD   LYS  41          1HD       LYS  41  -2.403 -13.113  -8.520
  342   1HE   LYS  41          2HE       LYS  41  -4.219 -11.590  -8.904
  343   2HE   LYS  41          1HE       LYS  41  -4.491 -12.227 -10.524
  344   1HZ   LYS  41          1HZ       LYS  41  -4.750 -14.442  -9.072
  345   2HZ   LYS  41          2HZ       LYS  41  -6.053 -13.426  -9.466
  346   3HZ   LYS  41          3HZ       LYS  41  -5.303 -13.299  -7.950
  347    H    ILE  42           H        ILE  42  -0.261  -7.505  -9.116
  348    HA   ILE  42           HA       ILE  42  -2.767  -7.254  -7.515
  349    HB   ILE  42           HB       ILE  42  -1.404  -5.909  -5.843
  350   1HG1  ILE  42          2HG1      ILE  42   0.931  -7.344  -7.148
  351   2HG1  ILE  42          1HG1      ILE  42   0.577  -5.636  -7.400
  352   1HG2  ILE  42          1HG2      ILE  42  -2.135  -8.098  -5.226
  353   2HG2  ILE  42          2HG2      ILE  42  -0.424  -8.021  -4.807
  354   3HG2  ILE  42          3HG2      ILE  42  -0.937  -8.867  -6.266
  355   1HD1  ILE  42          1HD1      ILE  42   0.866  -6.769  -4.618
  356   2HD1  ILE  42          2HD1      ILE  42   1.004  -5.090  -5.140
  357   3HD1  ILE  42          3HD1      ILE  42   2.275  -6.245  -5.540
  358    H    VAL  43           H        VAL  43  -3.891  -5.453  -7.975
  359    HA   VAL  43           HA       VAL  43  -2.546  -3.297  -9.552
  360    HB   VAL  43           HB       VAL  43  -5.497  -3.985  -9.308
  361   1HG1  VAL  43          1HG1      VAL  43  -4.069  -1.650 -10.307
  362   2HG1  VAL  43          2HG1      VAL  43  -5.801  -1.880 -10.064
  363   3HG1  VAL  43          3HG1      VAL  43  -5.044  -2.401 -11.570
  364   1HG2  VAL  43          1HG2      VAL  43  -5.251  -4.715 -11.671
  365   2HG2  VAL  43          2HG2      VAL  43  -4.247  -5.676 -10.584
  366   3HG2  VAL  43          3HG2      VAL  43  -3.516  -4.409 -11.572
  367    H    LEU  44           H        LEU  44  -1.989  -1.605  -8.257
  368    HA   LEU  44           HA       LEU  44  -3.612  -1.045  -5.827
  369   1HB   LEU  44          2HB       LEU  44  -0.879  -0.092  -6.725
  370   2HB   LEU  44          1HB       LEU  44  -1.691   0.515  -5.282
  371    HG   LEU  44           HG       LEU  44  -1.408  -2.450  -5.656
  372   1HD1  LEU  44          1HD1      LEU  44   0.846  -1.584  -6.062
  373   2HD1  LEU  44          2HD1      LEU  44   0.775  -2.335  -4.469
  374   3HD1  LEU  44          3HD1      LEU  44   0.741  -0.578  -4.617
  375   1HD2  LEU  44          1HD2      LEU  44  -2.217  -2.436  -3.552
  376   2HD2  LEU  44          2HD2      LEU  44  -2.377  -0.682  -3.659
  377   3HD2  LEU  44          3HD2      LEU  44  -0.897  -1.394  -3.021
  378    H    GLN  45           H        GLN  45  -4.624   0.964  -5.510
  379    HA   GLN  45           HA       GLN  45  -4.505   2.912  -7.770
  380   1HB   GLN  45          2HB       GLN  45  -7.133   2.381  -6.417
  381   2HB   GLN  45          1HB       GLN  45  -6.820   3.007  -8.033
  382   1HG   GLN  45          2HG       GLN  45  -5.796   0.644  -8.487
  383   2HG   GLN  45          1HG       GLN  45  -6.715   0.156  -7.062
  384   1HE2  GLN  45          1HE2      GLN  45  -9.142   0.683  -7.143
  385   2HE2  GLN  45          2HE2      GLN  45  -9.910   0.649  -8.657
  386    H    LYS  46           H        LYS  46  -4.691   5.082  -7.139
  387    HA   LYS  46           HA       LYS  46  -4.409   5.584  -4.231
  388   1HB   LYS  46          2HB       LYS  46  -3.447   6.842  -6.659
  389   2HB   LYS  46          1HB       LYS  46  -4.265   8.024  -5.640
  390   1HG   LYS  46          2HG       LYS  46  -2.299   6.105  -4.413
  391   2HG   LYS  46          1HG       LYS  46  -1.720   7.548  -5.245
  392   1HD   LYS  46          2HD       LYS  46  -2.220   8.810  -3.456
  393   2HD   LYS  46          1HD       LYS  46  -3.906   8.304  -3.556
  394   1HE   LYS  46          2HE       LYS  46  -3.430   6.313  -2.222
  395   2HE   LYS  46          1HE       LYS  46  -1.712   6.713  -2.192
  396   1HZ   LYS  46          1HZ       LYS  46  -2.097   8.575  -0.857
  397   2HZ   LYS  46          2HZ       LYS  46  -3.103   7.381  -0.189
  398   3HZ   LYS  46          3HZ       LYS  46  -3.762   8.593  -1.180
  399    H    GLY  47           H        GLY  47  -6.252   7.079  -6.933
  400   1HA   GLY  47          2HA       GLY  47  -8.682   7.161  -5.271
  401   2HA   GLY  47          1HA       GLY  47  -8.003   8.739  -5.680
  402    H    GLY  48           H        GLY  48  -9.032   5.678  -7.208
  403   1HA   GLY  48          2HA       GLY  48 -10.405   5.406  -9.123
  404   2HA   GLY  48          1HA       GLY  48 -10.452   7.160  -9.305
  405    H    SER  49           H        SER  49  -7.366   5.552  -8.939
  406    HA   SER  49           HA       SER  49  -6.868   5.430 -11.841
  407   1HB   SER  49          2HB       SER  49  -6.015   7.682 -10.175
  408   2HB   SER  49          1HB       SER  49  -4.659   6.890 -10.974
  409    HG   SER  49           HG       SER  49  -5.515   8.425 -12.360
  410    H    VAL  50           H        VAL  50  -5.262   3.927 -12.298
  411    HA   VAL  50           HA       VAL  50  -4.316   2.285 -10.069
  412    HB   VAL  50           HB       VAL  50  -3.302   0.865 -11.816
  413   1HG1  VAL  50          1HG1      VAL  50  -5.481   0.499 -13.157
  414   2HG1  VAL  50          2HG1      VAL  50  -6.145   1.806 -12.176
  415   3HG1  VAL  50          3HG1      VAL  50  -5.563   0.331 -11.403
  416   1HG2  VAL  50          1HG2      VAL  50  -2.525   2.377 -13.467
  417   2HG2  VAL  50          2HG2      VAL  50  -4.085   3.189 -13.584
  418   3HG2  VAL  50          3HG2      VAL  50  -3.886   1.565 -14.239
  419    H    LEU  51           H        LEU  51  -2.162   1.982  -9.413
  420    HA   LEU  51           HA       LEU  51  -0.341   4.245 -10.041
  421   1HB   LEU  51          2HB       LEU  51   0.168   2.080  -7.991
  422   2HB   LEU  51          1HB       LEU  51   0.828   3.712  -8.043
  423    HG   LEU  51           HG       LEU  51  -2.070   2.986  -7.516
  424   1HD1  LEU  51          1HD1      LEU  51  -0.068   2.749  -5.746
  425   2HD1  LEU  51          2HD1      LEU  51  -1.663   3.335  -5.276
  426   3HD1  LEU  51          3HD1      LEU  51  -0.359   4.481  -5.583
  427   1HD2  LEU  51          1HD2      LEU  51  -1.926   5.100  -8.724
  428   2HD2  LEU  51          2HD2      LEU  51  -0.645   5.661  -7.650
  429   3HD2  LEU  51          3HD2      LEU  51  -2.280   5.438  -7.030
  430    H    LYS  52           H        LYS  52   1.634   3.941 -11.067
  431    HA   LYS  52           HA       LYS  52   2.178   1.178 -12.081
  432   1HB   LYS  52          2HB       LYS  52   2.494   3.903 -13.305
  433   2HB   LYS  52          1HB       LYS  52   3.528   2.580 -13.846
  434   1HG   LYS  52          2HG       LYS  52   1.098   1.346 -13.860
  435   2HG   LYS  52          1HG       LYS  52   0.624   3.000 -14.255
  436   1HD   LYS  52          2HD       LYS  52   1.351   2.704 -16.361
  437   2HD   LYS  52          1HD       LYS  52   2.977   2.399 -15.751
  438   1HE   LYS  52          2HE       LYS  52   2.077   0.005 -15.236
  439   2HE   LYS  52          1HE       LYS  52   0.799   0.420 -16.381
  440   1HZ   LYS  52          1HZ       LYS  52   2.859  -0.693 -17.312
  441   2HZ   LYS  52          2HZ       LYS  52   3.664   0.779 -17.039
  442   3HZ   LYS  52          3HZ       LYS  52   2.340   0.716 -18.098
  443    H    ASP  53           H        ASP  53   4.321   0.415 -12.039
  444    HA   ASP  53           HA       ASP  53   5.962   1.244  -9.853
  445   1HB   ASP  53          2HB       ASP  53   7.620  -0.335 -10.737
  446   2HB   ASP  53          1HB       ASP  53   6.007  -1.042 -10.815
  447    H    HIS  54           H        HIS  54   5.881   2.272 -13.205
  448    HA   HIS  54           HA       HIS  54   8.517   3.428 -13.314
  449   1HB   HIS  54          2HB       HIS  54   5.989   3.970 -14.888
  450   2HB   HIS  54          1HB       HIS  54   7.543   4.720 -15.259
  451    HD1  HIS  54           HD1      HIS  54   5.640   1.563 -15.624
  452    HD2  HIS  54           HD2      HIS  54   9.595   2.808 -16.065
  453    HE1  HIS  54           HE1      HIS  54   6.835  -0.277 -16.891
  454    H    ILE  55           H        ILE  55   5.735   4.423 -11.572
  455    HA   ILE  55           HA       ILE  55   6.746   7.238 -11.478
  456    HB   ILE  55           HB       ILE  55   4.002   6.115 -10.831
  457   1HG1  ILE  55          2HG1      ILE  55   3.598   8.012 -12.698
  458   2HG1  ILE  55          1HG1      ILE  55   5.238   7.540 -13.142
  459   1HG2  ILE  55          1HG2      ILE  55   5.179   8.886 -10.517
  460   2HG2  ILE  55          2HG2      ILE  55   4.376   7.907  -9.289
  461   3HG2  ILE  55          3HG2      ILE  55   3.442   8.602 -10.612
  462   1HD1  ILE  55          1HD1      ILE  55   3.751   5.155 -12.628
  463   2HD1  ILE  55          2HD1      ILE  55   4.436   5.703 -14.158
  464   3HD1  ILE  55          3HD1      ILE  55   2.796   6.170 -13.710
  465    H    SER  56           H        SER  56   7.195   8.166  -9.461
  466    HA   SER  56           HA       SER  56   7.903   6.307  -7.335
  467   1HB   SER  56          2HB       SER  56   8.718   8.313  -6.160
  468   2HB   SER  56          1HB       SER  56   9.292   8.283  -7.824
  469    HG   SER  56           HG       SER  56   8.445  10.332  -7.224
  470    H    LEU  57           H        LEU  57   7.041   6.298  -5.187
  471    HA   LEU  57           HA       LEU  57   4.195   6.472  -4.983
  472   1HB   LEU  57          2HB       LEU  57   6.372   6.316  -2.882
  473   2HB   LEU  57          1HB       LEU  57   4.656   6.288  -2.479
  474    HG   LEU  57           HG       LEU  57   5.836   4.378  -4.500
  475   1HD1  LEU  57          1HD1      LEU  57   5.839   2.723  -2.578
  476   2HD1  LEU  57          2HD1      LEU  57   5.647   4.099  -1.490
  477   3HD1  LEU  57          3HD1      LEU  57   7.093   3.960  -2.491
  478   1HD2  LEU  57          1HD2      LEU  57   3.566   4.118  -4.703
  479   2HD2  LEU  57          2HD2      LEU  57   3.245   4.784  -3.101
  480   3HD2  LEU  57          3HD2      LEU  57   3.775   3.111  -3.271
  481    H    GLU  58           H        GLU  58   6.773   8.765  -4.177
  482    HA   GLU  58           HA       GLU  58   5.193  10.649  -2.715
  483   1HB   GLU  58          2HB       GLU  58   7.759  10.561  -2.989
  484   2HB   GLU  58          1HB       GLU  58   7.499  11.408  -4.514
  485   1HG   GLU  58          2HG       GLU  58   7.865  13.139  -2.934
  486   2HG   GLU  58          1HG       GLU  58   6.115  13.094  -3.141
  487    H    ASP  59           H        ASP  59   5.695  10.144  -6.186
  488    HA   ASP  59           HA       ASP  59   4.474  12.582  -7.097
  489   1HB   ASP  59          2HB       ASP  59   5.875  10.878  -8.442
  490   2HB   ASP  59          1HB       ASP  59   4.383   9.950  -8.582
  491    H    TYR  60           H        TYR  60   3.186   9.330  -6.425
  492    HA   TYR  60           HA       TYR  60   0.460   9.996  -7.184
  493   1HB   TYR  60          2HB       TYR  60   1.762   7.691  -5.740
  494   2HB   TYR  60          1HB       TYR  60   0.006   7.823  -5.825
  495    HD1  TYR  60           HD1      TYR  60   2.685   6.291  -7.348
  496    HD2  TYR  60           HD2      TYR  60  -0.764   8.644  -8.363
  497    HE1  TYR  60           HE1      TYR  60   2.721   5.357  -9.644
  498    HE2  TYR  60           HE2      TYR  60  -0.725   7.711 -10.659
  499    HH   TYR  60           HH       TYR  60   1.275   6.654 -12.180
  500    H    GLU  61           H        GLU  61   2.376  10.592  -4.390
  501    HA   GLU  61           HA       GLU  61   1.844  11.851  -2.484
  502   1HB   GLU  61          2HB       GLU  61  -0.240  12.567  -4.002
  503   2HB   GLU  61          1HB       GLU  61  -1.110  11.556  -2.848
  504   1HG   GLU  61          2HG       GLU  61   0.862  13.465  -1.699
  505   2HG   GLU  61          1HG       GLU  61  -0.593  14.173  -2.400
  506    H    VAL  62           H        VAL  62   2.701   9.793  -1.640
  507    HA   VAL  62           HA       VAL  62   0.607   8.219  -0.191
  508    HB   VAL  62           HB       VAL  62   3.348   7.302  -1.138
  509   1HG1  VAL  62          1HG1      VAL  62   2.263   5.027  -0.488
  510   2HG1  VAL  62          2HG1      VAL  62   1.163   6.005   0.483
  511   3HG1  VAL  62          3HG1      VAL  62   2.895   6.048   0.802
  512   1HG2  VAL  62          1HG2      VAL  62   2.355   6.569  -3.033
  513   2HG2  VAL  62          2HG2      VAL  62   0.970   7.566  -2.590
  514   3HG2  VAL  62          3HG2      VAL  62   1.013   5.863  -2.134
  515    H    HIS  63           H        HIS  63   0.610   9.155   1.818
  516    HA   HIS  63           HA       HIS  63   3.240   9.771   3.094
  517   1HB   HIS  63          2HB       HIS  63   0.509  10.954   3.269
  518   2HB   HIS  63          1HB       HIS  63   1.478  10.958   4.743
  519    HD1  HIS  63           HD1      HIS  63   1.494  12.245   1.192
  520    HD2  HIS  63           HD2      HIS  63   3.671  12.726   4.716
  521    HE1  HIS  63           HE1      HIS  63   3.064  14.194   0.805
  522    H    ASP  64           H        ASP  64   2.808   9.693   5.697
  523    HA   ASP  64           HA       ASP  64   2.663   6.894   6.348
  524   1HB   ASP  64          2HB       ASP  64   3.903   8.829   7.579
  525   2HB   ASP  64          1HB       ASP  64   2.360   9.087   8.392
  526    H    GLN  65           H        GLN  65   1.000   5.684   7.152
  527    HA   GLN  65           HA       GLN  65  -1.190   5.041   7.624
  528   1HB   GLN  65          2HB       GLN  65  -0.552   7.215   9.312
  529   2HB   GLN  65          1HB       GLN  65  -2.186   7.524   8.725
  530   1HG   GLN  65          2HG       GLN  65  -2.249   6.163  10.777
  531   2HG   GLN  65          1HG       GLN  65  -2.858   5.241   9.403
  532   1HE2  GLN  65          1HE2      GLN  65   0.312   5.853  11.049
  533   2HE2  GLN  65          2HE2      GLN  65   0.862   4.256  10.887
  534    H    THR  66           H        THR  66  -0.722   6.056   5.007
  535    HA   THR  66           HA       THR  66  -3.068   7.749   4.371
  536    HB   THR  66           HB       THR  66  -0.809   8.119   3.283
  537    HG1  THR  66           HG1      THR  66  -1.912   8.911   1.696
  538   1HG2  THR  66          1HG2      THR  66  -1.490   5.704   1.608
  539   2HG2  THR  66          2HG2      THR  66  -0.446   5.578   3.025
  540   3HG2  THR  66          3HG2      THR  66   0.025   6.605   1.672
  541    H    ASN  67           H        ASN  67  -4.624   7.008   2.708
  542    HA   ASN  67           HA       ASN  67  -5.149   4.093   2.989
  543   1HB   ASN  67          2HB       ASN  67  -6.796   6.479   2.833
  544   2HB   ASN  67          1HB       ASN  67  -7.296   5.284   1.635
  545   1HD2  ASN  67          1HD2      ASN  67  -7.661   2.996   2.520
  546   2HD2  ASN  67          2HD2      ASN  67  -8.240   2.842   4.108
  547    H    LEU  68           H        LEU  68  -5.329   2.738   1.223
  548    HA   LEU  68           HA       LEU  68  -4.981   3.872  -1.506
  549   1HB   LEU  68          2HB       LEU  68  -2.841   2.799  -0.111
  550   2HB   LEU  68          1HB       LEU  68  -3.413   1.428  -1.059
  551    HG   LEU  68           HG       LEU  68  -3.425   3.808  -2.694
  552   1HD1  LEU  68          1HD1      LEU  68  -0.965   4.179  -2.743
  553   2HD1  LEU  68          2HD1      LEU  68  -0.795   3.107  -1.352
  554   3HD1  LEU  68          3HD1      LEU  68  -1.671   4.630  -1.190
  555   1HD2  LEU  68          1HD2      LEU  68  -1.374   1.836  -3.303
  556   2HD2  LEU  68          2HD2      LEU  68  -2.836   2.235  -4.204
  557   3HD2  LEU  68          3HD2      LEU  68  -2.903   1.056  -2.895
  558    H    GLU  69           H        GLU  69  -5.266   2.012  -3.169
  559    HA   GLU  69           HA       GLU  69  -7.417   0.173  -2.186
  560   1HB   GLU  69          2HB       GLU  69  -7.029   1.513  -4.875
  561   2HB   GLU  69          1HB       GLU  69  -8.194   0.219  -4.601
  562   1HG   GLU  69          2HG       GLU  69  -9.604   1.943  -4.100
  563   2HG   GLU  69          1HG       GLU  69  -8.806   1.875  -2.529
  564    H    LEU  70           H        LEU  70  -7.335  -2.001  -2.859
  565    HA   LEU  70           HA       LEU  70  -4.945  -2.817  -4.451
  566   1HB   LEU  70          2HB       LEU  70  -4.382  -3.240  -2.126
  567   2HB   LEU  70          1HB       LEU  70  -5.923  -4.053  -1.859
  568    HG   LEU  70           HG       LEU  70  -5.279  -5.792  -3.504
  569   1HD1  LEU  70          1HD1      LEU  70  -3.562  -5.488  -4.931
  570   2HD1  LEU  70          2HD1      LEU  70  -2.446  -5.209  -3.595
  571   3HD1  LEU  70          3HD1      LEU  70  -3.363  -3.864  -4.273
  572   1HD2  LEU  70          1HD2      LEU  70  -4.752  -6.072  -1.089
  573   2HD2  LEU  70          2HD2      LEU  70  -3.172  -5.340  -1.367
  574   3HD2  LEU  70          3HD2      LEU  70  -3.573  -6.883  -2.120
  575    H    TYR  71           H        TYR  71  -5.385  -4.314  -6.003
  576    HA   TYR  71           HA       TYR  71  -7.925  -5.866  -5.852
  577   1HB   TYR  71          2HB       TYR  71  -7.074  -3.938  -7.986
  578   2HB   TYR  71          1HB       TYR  71  -7.953  -5.389  -8.467
  579    HD1  TYR  71           HD1      TYR  71  -8.147  -2.174  -6.732
  580    HD2  TYR  71           HD2      TYR  71 -10.240  -5.822  -7.616
  581    HE1  TYR  71           HE1      TYR  71 -10.278  -1.128  -6.017
  582    HE2  TYR  71           HE2      TYR  71 -12.368  -4.775  -6.901
  583    HH   TYR  71           HH       TYR  71 -12.453  -1.662  -5.331
  584    H    TYR  72           H        TYR  72  -7.870  -7.788  -7.297
  585    HA   TYR  72           HA       TYR  72  -5.054  -8.675  -7.790
  586   1HB   TYR  72          2HB       TYR  72  -7.520 -10.319  -7.136
  587   2HB   TYR  72          1HB       TYR  72  -5.935 -10.993  -7.514
  588    HD1  TYR  72           HD1      TYR  72  -7.793 -10.923  -4.852
  589    HD2  TYR  72           HD2      TYR  72  -4.181  -8.973  -6.128
  590    HE1  TYR  72           HE1      TYR  72  -7.115 -10.627  -2.489
  591    HE2  TYR  72           HE2      TYR  72  -3.507  -8.678  -3.762
  592    HH   TYR  72           HH       TYR  72  -3.984  -9.761  -1.565
  593    H    LEU  73           HN       LEU  73  -4.561  -8.657  -9.893
  594    HA   LEU  73           HA       LEU  73  -4.666  -9.156 -12.179
  595   1HB   LEU  73          2HB       LEU  73  -6.222 -11.102 -11.190
  596   2HB   LEU  73          1HB       LEU  73  -7.464 -10.185 -12.043
  597    HG   LEU  73           HG       LEU  73  -5.093 -10.431 -13.687
  598   1HD1  LEU  73          1HD1      LEU  73  -6.011 -13.075 -13.847
  599   2HD1  LEU  73          2HD1      LEU  73  -5.818 -12.775 -12.120
  600   3HD1  LEU  73          3HD1      LEU  73  -4.453 -12.543 -13.213
  601   1HD2  LEU  73          1HD2      LEU  73  -7.735 -10.105 -14.095
  602   2HD2  LEU  73          2HD2      LEU  73  -7.640 -11.854 -14.307
  603   3HD2  LEU  73          3HD2      LEU  73  -6.672 -10.789 -15.326
  Start of MODEL   12
    1    H    MET   1           1H       MET   1  10.282   6.859   5.890
    2    HA   MET   1           HA       MET   1   9.531   4.799   4.920
    3   1HB   MET   1          2HB       MET   1  10.915   3.670   7.072
    4   2HB   MET   1          1HB       MET   1   9.219   3.348   7.431
    5   1HG   MET   1          2HG       MET   1   8.898   2.305   5.265
    6   2HG   MET   1          1HG       MET   1  10.523   2.765   4.759
    7   1HE   MET   1          1HE       MET   1   9.874  -0.726   4.759
    8   2HE   MET   1          2HE       MET   1  11.624  -0.523   4.757
    9   3HE   MET   1          3HE       MET   1  10.609   0.665   3.946
   10    H    ILE   2           H        ILE   2   7.282   4.569   4.825
   11    HA   ILE   2           HA       ILE   2   5.727   5.827   7.054
   12    HB   ILE   2           HB       ILE   2   4.099   6.585   5.302
   13   1HG1  ILE   2          2HG1      ILE   2   6.165   6.316   3.185
   14   2HG1  ILE   2          1HG1      ILE   2   5.344   4.826   3.649
   15   1HG2  ILE   2          1HG2      ILE   2   6.564   7.700   6.055
   16   2HG2  ILE   2          2HG2      ILE   2   5.185   8.551   5.357
   17   3HG2  ILE   2          3HG2      ILE   2   6.463   7.933   4.310
   18   1HD1  ILE   2          1HD1      ILE   2   3.981   7.400   2.805
   19   2HD1  ILE   2          2HD1      ILE   2   3.159   5.915   3.285
   20   3HD1  ILE   2          3HD1      ILE   2   4.137   5.947   1.818
   21    H    GLU   3           H        GLU   3   3.455   5.059   7.175
   22    HA   GLU   3           HA       GLU   3   3.287   2.159   6.497
   23   1HB   GLU   3          2HB       GLU   3   1.888   3.882   8.556
   24   2HB   GLU   3          1HB       GLU   3   1.364   2.240   8.184
   25   1HG   GLU   3          2HG       GLU   3   2.832   1.756   9.892
   26   2HG   GLU   3          1HG       GLU   3   3.970   1.738   8.545
   27    H    VAL   4           H        VAL   4   1.423   1.356   5.401
   28    HA   VAL   4           HA       VAL   4  -0.477   3.408   4.356
   29    HB   VAL   4           HB       VAL   4   0.591   1.221   2.574
   30   1HG1  VAL   4          1HG1      VAL   4  -0.970   3.769   2.259
   31   2HG1  VAL   4          2HG1      VAL   4  -1.317   2.166   1.613
   32   3HG1  VAL   4          3HG1      VAL   4  -0.034   3.143   0.902
   33   1HG2  VAL   4          1HG2      VAL   4   1.676   4.050   2.784
   34   2HG2  VAL   4          2HG2      VAL   4   2.215   2.801   1.662
   35   3HG2  VAL   4          3HG2      VAL   4   2.508   2.618   3.390
   36    H    VAL   5           H        VAL   5  -2.522   2.527   3.677
   37    HA   VAL   5           HA       VAL   5  -3.103  -0.213   4.738
   38    HB   VAL   5           HB       VAL   5  -5.064   2.100   4.694
   39   1HG1  VAL   5          1HG1      VAL   5  -6.323   0.164   4.919
   40   2HG1  VAL   5          2HG1      VAL   5  -5.965   0.506   6.611
   41   3HG1  VAL   5          3HG1      VAL   5  -5.029  -0.708   5.739
   42   1HG2  VAL   5          1HG2      VAL   5  -3.302   1.137   6.975
   43   2HG2  VAL   5          2HG2      VAL   5  -4.622   2.296   7.138
   44   3HG2  VAL   5          3HG2      VAL   5  -3.202   2.707   6.177
   45    H    VAL   6           H        VAL   6  -3.542  -1.511   3.009
   46    HA   VAL   6           HA       VAL   6  -4.761  -0.269   0.585
   47    HB   VAL   6           HB       VAL   6  -3.941  -3.051   0.258
   48   1HG1  VAL   6          1HG1      VAL   6  -2.650  -0.698  -1.075
   49   2HG1  VAL   6          2HG1      VAL   6  -4.354  -1.029  -1.390
   50   3HG1  VAL   6          3HG1      VAL   6  -3.136  -2.248  -1.763
   51   1HG2  VAL   6          1HG2      VAL   6  -1.443  -2.408   0.311
   52   2HG2  VAL   6          2HG2      VAL   6  -2.215  -2.715   1.866
   53   3HG2  VAL   6          3HG2      VAL   6  -1.932  -1.057   1.335
   54    H    ASN   7           H        ASN   7  -6.936  -0.446   0.549
   55    HA   ASN   7           HA       ASN   7  -8.244  -2.805   1.810
   56   1HB   ASN   7          2HB       ASN   7  -9.163  -0.056   1.001
   57   2HB   ASN   7          1HB       ASN   7 -10.347  -1.352   1.171
   58   1HD2  ASN   7          1HD2      ASN   7  -7.814   0.433   2.973
   59   2HD2  ASN   7          2HD2      ASN   7  -8.437   0.077   4.511
   60    H    ASP   8           H        ASP   8  -9.020  -4.429   0.546
   61    HA   ASP   8           HA       ASP   8  -8.696  -4.319  -2.335
   62   1HB   ASP   8          2HB       ASP   8  -9.328  -6.349  -0.326
   63   2HB   ASP   8          1HB       ASP   8 -10.251  -6.558  -1.814
   64    H    ARG   9           H        ARG   9 -11.647  -4.983  -0.394
   65    HA   ARG   9           HA       ARG   9 -13.177  -3.339  -2.355
   66   1HB   ARG   9          2HB       ARG   9 -13.577  -6.223  -1.649
   67   2HB   ARG   9          1HB       ARG   9 -15.002  -5.233  -1.961
   68   1HG   ARG   9          2HG       ARG   9 -14.616  -5.731  -4.146
   69   2HG   ARG   9          1HG       ARG   9 -13.359  -4.499  -4.036
   70   1HD   ARG   9          2HD       ARG   9 -12.052  -6.681  -3.021
   71   2HD   ARG   9          1HD       ARG   9 -13.105  -7.436  -4.217
   72    HE   ARG   9           HE       ARG   9 -11.620  -5.090  -5.186
   73   1HH1  ARG   9          1HH2      ARG   9 -12.689  -7.672  -6.610
   74   2HH1  ARG   9          2HH2      ARG   9 -11.184  -8.384  -7.088
   75   1HH2  ARG   9          2HH1      ARG   9  -9.267  -6.361  -5.014
   76   2HH2  ARG   9          1HH1      ARG   9  -9.244  -7.643  -6.179
   77    H    LEU  10           H        LEU  10 -13.905  -5.332   0.557
   78    HA   LEU  10           HA       LEU  10 -14.510  -2.957   2.144
   79   1HB   LEU  10          2HB       LEU  10 -16.565  -3.766   0.510
   80   2HB   LEU  10          1HB       LEU  10 -16.913  -4.666   1.986
   81    HG   LEU  10           HG       LEU  10 -16.130  -1.975   2.668
   82   1HD1  LEU  10          1HD1      LEU  10 -16.927  -1.406   0.402
   83   2HD1  LEU  10          2HD1      LEU  10 -18.022  -0.774   1.633
   84   3HD1  LEU  10          3HD1      LEU  10 -18.452  -2.227   0.729
   85   1HD2  LEU  10          1HD2      LEU  10 -17.454  -3.467   4.093
   86   2HD2  LEU  10          2HD2      LEU  10 -18.741  -3.509   2.888
   87   3HD2  LEU  10          3HD2      LEU  10 -18.379  -2.007   3.738
   88    H    GLY  11           H        GLY  11 -13.632  -3.573   4.053
   89   1HA   GLY  11          2HA       GLY  11 -13.761  -4.835   6.116
   90   2HA   GLY  11          1HA       GLY  11 -14.419  -6.196   5.212
   91    H    LYS  12           H        LYS  12 -12.271  -5.833   3.088
   92    HA   LYS  12           HA       LYS  12 -10.132  -7.277   4.573
   93   1HB   LYS  12          2HB       LYS  12 -11.429  -7.804   2.150
   94   2HB   LYS  12          1HB       LYS  12  -9.840  -7.204   1.674
   95   1HG   LYS  12          2HG       LYS  12 -10.103  -9.269   3.852
   96   2HG   LYS  12          1HG       LYS  12 -10.109  -9.749   2.154
   97   1HD   LYS  12          2HD       LYS  12  -7.951  -7.923   3.193
   98   2HD   LYS  12          1HD       LYS  12  -7.833  -9.667   3.438
   99   1HE   LYS  12          2HE       LYS  12  -7.313 -10.044   1.277
  100   2HE   LYS  12          1HE       LYS  12  -8.595  -8.977   0.696
  101   1HZ   LYS  12          1HZ       LYS  12  -7.222  -7.111   0.916
  102   2HZ   LYS  12          2HZ       LYS  12  -6.222  -8.293   0.220
  103   3HZ   LYS  12          3HZ       LYS  12  -6.091  -7.935   1.874
  104    H    LYS  13           H        LYS  13  -8.304  -6.174   5.053
  105    HA   LYS  13           HA       LYS  13  -7.278  -4.150   3.142
  106   1HB   LYS  13          2HB       LYS  13  -6.993  -2.450   4.842
  107   2HB   LYS  13          1HB       LYS  13  -8.683  -2.951   4.846
  108   1HG   LYS  13          2HG       LYS  13  -7.800  -4.689   6.662
  109   2HG   LYS  13          1HG       LYS  13  -6.547  -3.466   6.878
  110   1HD   LYS  13          2HD       LYS  13  -7.988  -2.313   8.168
  111   2HD   LYS  13          1HD       LYS  13  -8.972  -2.037   6.730
  112   1HE   LYS  13          2HE       LYS  13  -9.302  -4.713   7.931
  113   2HE   LYS  13          1HE       LYS  13  -9.835  -3.384   8.959
  114   1HZ   LYS  13          1HZ       LYS  13 -11.214  -2.568   7.179
  115   2HZ   LYS  13          2HZ       LYS  13 -11.594  -4.195   7.488
  116   3HZ   LYS  13          3HZ       LYS  13 -10.658  -3.782   6.134
  117    H    VAL  14           H        VAL  14  -4.994  -3.839   3.295
  118    HA   VAL  14           HA       VAL  14  -3.576  -5.739   5.129
  119    HB   VAL  14           HB       VAL  14  -2.691  -4.991   2.324
  120   1HG1  VAL  14          1HG1      VAL  14  -1.098  -5.868   4.250
  121   2HG1  VAL  14          2HG1      VAL  14  -0.955  -6.508   2.615
  122   3HG1  VAL  14          3HG1      VAL  14  -1.821  -7.424   3.847
  123   1HG2  VAL  14          1HG2      VAL  14  -3.446  -7.256   1.676
  124   2HG2  VAL  14          2HG2      VAL  14  -4.799  -6.276   2.241
  125   3HG2  VAL  14          3HG2      VAL  14  -4.095  -7.503   3.297
  126    H    ARG  15           H        ARG  15  -1.652  -4.968   6.066
  127    HA   ARG  15           HA       ARG  15  -1.220  -2.029   5.839
  128   1HB   ARG  15          2HB       ARG  15  -1.616  -3.194   8.105
  129   2HB   ARG  15          1HB       ARG  15   0.005  -3.862   7.910
  130   1HG   ARG  15          2HG       ARG  15   0.729  -1.943   8.878
  131   2HG   ARG  15          1HG       ARG  15   0.386  -1.186   7.323
  132   1HD   ARG  15          2HD       ARG  15  -1.912  -0.673   8.084
  133   2HD   ARG  15          1HD       ARG  15  -1.553  -1.410   9.645
  134    HE   ARG  15           HE       ARG  15   0.332   0.416   9.715
  135   1HH1  ARG  15          2HH1      ARG  15  -0.514   1.837   7.258
  136   2HH1  ARG  15          1HH1      ARG  15  -1.592   3.048   7.866
  137   1HH2  ARG  15          1HH2      ARG  15  -2.035   1.487  10.939
  138   2HH2  ARG  15          2HH2      ARG  15  -2.457   2.849   9.955
  139    H    VAL  16           H        VAL  16   0.604  -1.274   4.866
  140    HA   VAL  16           HA       VAL  16   2.944  -3.088   4.561
  141    HB   VAL  16           HB       VAL  16   1.573  -3.345   2.529
  142   1HG1  VAL  16          1HG1      VAL  16   2.065  -0.443   1.889
  143   2HG1  VAL  16          2HG1      VAL  16   0.637  -0.930   2.803
  144   3HG1  VAL  16          3HG1      VAL  16   0.896  -1.554   1.175
  145   1HG2  VAL  16          1HG2      VAL  16   4.193  -1.857   2.308
  146   2HG2  VAL  16          2HG2      VAL  16   3.337  -2.420   0.872
  147   3HG2  VAL  16          3HG2      VAL  16   3.884  -3.578   2.083
  148    H    LYS  17           H        LYS  17   4.840  -2.014   4.919
  149    HA   LYS  17           HA       LYS  17   4.712   0.963   5.095
  150   1HB   LYS  17          2HB       LYS  17   6.594   0.828   6.641
  151   2HB   LYS  17          1HB       LYS  17   5.313  -0.250   7.188
  152   1HG   LYS  17          2HG       LYS  17   6.786  -1.896   5.532
  153   2HG   LYS  17          1HG       LYS  17   8.033  -0.890   6.269
  154   1HD   LYS  17          2HD       LYS  17   7.769  -1.857   8.297
  155   2HD   LYS  17          1HD       LYS  17   6.010  -1.789   8.193
  156   1HE   LYS  17          2HE       LYS  17   7.082  -3.714   6.300
  157   2HE   LYS  17          1HE       LYS  17   7.615  -4.079   7.940
  158   1HZ   LYS  17          1HZ       LYS  17   5.470  -5.102   7.372
  159   2HZ   LYS  17          2HZ       LYS  17   4.798  -3.556   7.160
  160   3HZ   LYS  17          3HZ       LYS  17   5.354  -4.043   8.691
  161    H    CYS  18           H        CYS  18   6.052   2.209   3.846
  162    HA   CYS  18           HA       CYS  18   8.426   1.091   2.531
  163   1HB   CYS  18          2HB       CYS  18   7.624   1.605   0.232
  164   2HB   CYS  18          1HB       CYS  18   6.669   0.332   0.990
  165    HG   CYS  18           HG       CYS  18   4.676   1.767   0.735
  166    H    LEU  19           H        LEU  19   9.531   2.852   1.197
  167    HA   LEU  19           HA       LEU  19   9.269   5.424   2.624
  168   1HB   LEU  19          2HB       LEU  19  11.371   4.012   1.192
  169   2HB   LEU  19          1HB       LEU  19  11.237   5.679   0.638
  170    HG   LEU  19           HG       LEU  19  11.070   5.333   3.569
  171   1HD1  LEU  19          1HD1      LEU  19  12.799   3.630   2.836
  172   2HD1  LEU  19          2HD1      LEU  19  13.411   4.894   3.903
  173   3HD1  LEU  19          3HD1      LEU  19  13.733   4.971   2.170
  174   1HD2  LEU  19          1HD2      LEU  19  11.230   7.486   2.120
  175   2HD2  LEU  19          2HD2      LEU  19  12.941   7.085   1.975
  176   3HD2  LEU  19          3HD2      LEU  19  12.238   7.387   3.564
  177    H    ALA  20           H        ALA  20   8.776   7.403   1.595
  178    HA   ALA  20           HA       ALA  20   6.883   7.323  -0.555
  179   1HB   ALA  20          1HB       ALA  20   8.428   9.544   0.780
  180   2HB   ALA  20          2HB       ALA  20   6.704   9.185   0.884
  181   3HB   ALA  20          3HB       ALA  20   7.373   9.871  -0.596
  182    H    GLU  21           H        GLU  21  10.367   7.495  -0.541
  183    HA   GLU  21           HA       GLU  21  10.631   8.580  -3.234
  184   1HB   GLU  21          2HB       GLU  21  13.015   7.968  -2.994
  185   2HB   GLU  21          1HB       GLU  21  12.441   8.854  -1.582
  186   1HG   GLU  21          2HG       GLU  21  13.252   7.146  -0.341
  187   2HG   GLU  21          1HG       GLU  21  11.900   6.195  -0.949
  188    H    ASP  22           H        ASP  22  10.069   5.437  -1.853
  189    HA   ASP  22           HA       ASP  22  11.125   3.854  -4.008
  190   1HB   ASP  22          2HB       ASP  22   9.222   3.368  -1.743
  191   2HB   ASP  22          1HB       ASP  22   9.308   2.183  -3.046
  192    H    SER  23           H        SER  23   9.841   2.693  -5.637
  193    HA   SER  23           HA       SER  23   7.665   4.406  -6.699
  194   1HB   SER  23          2HB       SER  23   7.979   3.145  -8.785
  195   2HB   SER  23          1HB       SER  23   9.520   3.767  -8.209
  196    HG   SER  23           HG       SER  23   9.479   1.496  -8.866
  197    H    VAL  24           H        VAL  24   5.902   3.029  -7.929
  198    HA   VAL  24           HA       VAL  24   4.371   1.616  -5.966
  199    HB   VAL  24           HB       VAL  24   4.101   1.576  -8.990
  200   1HG1  VAL  24          1HG1      VAL  24   2.885  -0.256  -7.772
  201   2HG1  VAL  24          2HG1      VAL  24   1.810   0.871  -8.598
  202   3HG1  VAL  24          3HG1      VAL  24   2.032   0.985  -6.853
  203   1HG2  VAL  24          1HG2      VAL  24   2.980   3.566  -8.848
  204   2HG2  VAL  24          2HG2      VAL  24   3.943   3.767  -7.385
  205   3HG2  VAL  24          3HG2      VAL  24   2.285   3.178  -7.276
  206    H    GLY  25           H        GLY  25   6.725   0.542  -8.364
  207   1HA   GLY  25          2HA       GLY  25   6.129  -2.241  -8.418
  208   2HA   GLY  25          1HA       GLY  25   7.736  -1.555  -8.679
  209    H    ASP  26           H        ASP  26   8.185  -0.332  -6.203
  210    HA   ASP  26           HA       ASP  26   9.014  -2.551  -4.560
  211   1HB   ASP  26          2HB       ASP  26   8.759   0.405  -3.901
  212   2HB   ASP  26          1HB       ASP  26   9.575  -0.783  -2.885
  213    H    PHE  27           H        PHE  27   6.267  -0.310  -4.465
  214    HA   PHE  27           HA       PHE  27   5.155  -1.014  -1.949
  215   1HB   PHE  27          2HB       PHE  27   4.454   0.825  -3.666
  216   2HB   PHE  27          1HB       PHE  27   3.459  -0.440  -4.382
  217    HD1  PHE  27           HD1      PHE  27   3.695   2.025  -1.791
  218    HD2  PHE  27           HD2      PHE  27   1.832  -1.708  -2.817
  219    HE1  PHE  27           HE1      PHE  27   1.955   2.420  -0.072
  220    HE2  PHE  27           HE2      PHE  27   0.093  -1.312  -1.094
  221    HZ   PHE  27           HZ       PHE  27   0.154   0.752   0.277
  222    H    LYS  28           H        LYS  28   4.709  -2.473  -5.172
  223    HA   LYS  28           HA       LYS  28   2.819  -4.485  -4.320
  224   1HB   LYS  28          2HB       LYS  28   4.650  -4.299  -6.730
  225   2HB   LYS  28          1HB       LYS  28   3.458  -5.580  -6.511
  226   1HG   LYS  28          2HG       LYS  28   1.644  -4.085  -6.657
  227   2HG   LYS  28          1HG       LYS  28   2.658  -2.681  -6.328
  228   1HD   LYS  28          2HD       LYS  28   3.749  -2.902  -8.495
  229   2HD   LYS  28          1HD       LYS  28   2.861  -4.392  -8.823
  230   1HE   LYS  28          2HE       LYS  28   0.802  -3.262  -9.047
  231   2HE   LYS  28          1HE       LYS  28   1.396  -1.825  -8.212
  232   1HZ   LYS  28          1HZ       LYS  28   1.276  -1.447 -10.582
  233   2HZ   LYS  28          2HZ       LYS  28   2.277  -2.784 -10.883
  234   3HZ   LYS  28          3HZ       LYS  28   2.894  -1.421 -10.078
  235    H    LYS  29           H        LYS  29   6.358  -4.400  -4.633
  236    HA   LYS  29           HA       LYS  29   6.864  -7.177  -4.206
  237   1HB   LYS  29          2HB       LYS  29   8.491  -4.688  -3.664
  238   2HB   LYS  29          1HB       LYS  29   9.111  -6.299  -3.303
  239   1HG   LYS  29          2HG       LYS  29   8.793  -6.972  -5.639
  240   2HG   LYS  29          1HG       LYS  29   8.113  -5.389  -6.018
  241   1HD   LYS  29          2HD       LYS  29  10.490  -4.708  -4.812
  242   2HD   LYS  29          1HD       LYS  29  10.927  -6.186  -5.670
  243   1HE   LYS  29          2HE       LYS  29  10.678  -5.221  -7.719
  244   2HE   LYS  29          1HE       LYS  29   9.259  -4.301  -7.222
  245   1HZ   LYS  29          1HZ       LYS  29  10.763  -2.814  -5.983
  246   2HZ   LYS  29          2HZ       LYS  29  11.059  -2.806  -7.656
  247   3HZ   LYS  29          3HZ       LYS  29  12.094  -3.658  -6.612
  248    H    VAL  30           H        VAL  30   6.663  -4.462  -1.873
  249    HA   VAL  30           HA       VAL  30   7.121  -6.100   0.458
  250    HB   VAL  30           HB       VAL  30   5.561  -3.498   0.353
  251   1HG1  VAL  30          1HG1      VAL  30   7.394  -4.260   2.579
  252   2HG1  VAL  30          2HG1      VAL  30   5.874  -5.146   2.459
  253   3HG1  VAL  30          3HG1      VAL  30   5.860  -3.392   2.633
  254   1HG2  VAL  30          1HG2      VAL  30   8.179  -2.940   1.146
  255   2HG2  VAL  30          2HG2      VAL  30   7.472  -2.560  -0.424
  256   3HG2  VAL  30          3HG2      VAL  30   8.379  -4.056  -0.204
  257    H    LEU  31           H        LEU  31   4.206  -5.107  -1.308
  258    HA   LEU  31           HA       LEU  31   2.235  -6.050   0.516
  259   1HB   LEU  31          2HB       LEU  31   2.259  -4.954  -2.066
  260   2HB   LEU  31          1HB       LEU  31   1.519  -6.541  -2.267
  261    HG   LEU  31           HG       LEU  31  -0.203  -4.892  -1.770
  262   1HD1  LEU  31          1HD1      LEU  31  -1.330  -6.118  -0.133
  263   2HD1  LEU  31          2HD1      LEU  31   0.132  -6.381   0.818
  264   3HD1  LEU  31          3HD1      LEU  31  -0.120  -7.278  -0.679
  265   1HD2  LEU  31          1HD2      LEU  31   1.797  -3.843  -0.036
  266   2HD2  LEU  31          2HD2      LEU  31   0.419  -4.288   0.969
  267   3HD2  LEU  31          3HD2      LEU  31   0.202  -3.171  -0.377
  268    H    SER  32           H        SER  32   3.990  -7.721  -2.084
  269    HA   SER  32           HA       SER  32   2.651 -10.213  -2.001
  270   1HB   SER  32          2HB       SER  32   4.425  -9.438  -3.666
  271   2HB   SER  32          1HB       SER  32   5.625  -9.888  -2.458
  272    HG   SER  32           HG       SER  32   5.385 -11.727  -3.541
  273    H    LEU  33           H        LEU  33   5.116  -8.907   0.174
  274    HA   LEU  33           HA       LEU  33   5.784 -11.405   1.449
  275   1HB   LEU  33          2HB       LEU  33   6.066  -8.505   2.212
  276   2HB   LEU  33          1HB       LEU  33   6.437  -9.772   3.381
  277    HG   LEU  33           HG       LEU  33   7.610 -10.317   0.761
  278   1HD1  LEU  33          1HD1      LEU  33   9.410  -8.406   1.583
  279   2HD1  LEU  33          2HD1      LEU  33   7.866  -7.617   1.909
  280   3HD1  LEU  33          3HD1      LEU  33   8.238  -8.189   0.283
  281   1HD2  LEU  33          1HD2      LEU  33   8.253 -11.501   2.795
  282   2HD2  LEU  33          2HD2      LEU  33   8.702  -9.982   3.573
  283   3HD2  LEU  33          3HD2      LEU  33   9.639 -10.585   2.205
  284    H    GLN  34           H        GLN  34   3.206  -9.040   1.928
  285    HA   GLN  34           HA       GLN  34   2.298 -10.257   4.436
  286   1HB   GLN  34          2HB       GLN  34   1.257  -8.053   2.659
  287   2HB   GLN  34          1HB       GLN  34   0.305  -8.669   4.009
  288   1HG   GLN  34          2HG       GLN  34   1.445  -7.083   5.193
  289   2HG   GLN  34          1HG       GLN  34   2.703  -8.318   5.238
  290   1HE2  GLN  34          1HE2      GLN  34   1.575  -5.780   2.905
  291   2HE2  GLN  34          2HE2      GLN  34   3.141  -5.273   2.492
  292    H    ILE  35           H        ILE  35   1.129 -10.192   1.037
  293    HA   ILE  35           HA       ILE  35  -0.807 -12.337   1.808
  294    HB   ILE  35           HB       ILE  35  -2.127 -11.660  -0.173
  295   1HG1  ILE  35          2HG1      ILE  35  -0.039  -9.462  -0.415
  296   2HG1  ILE  35          1HG1      ILE  35  -0.288 -10.774  -1.565
  297   1HG2  ILE  35          1HG2      ILE  35  -3.127  -9.873   0.913
  298   2HG2  ILE  35          2HG2      ILE  35  -1.583  -9.123   1.323
  299   3HG2  ILE  35          3HG2      ILE  35  -2.147 -10.530   2.225
  300   1HD1  ILE  35          1HD1      ILE  35  -2.316  -9.908  -2.324
  301   2HD1  ILE  35          2HD1      ILE  35  -1.404  -8.432  -2.005
  302   3HD1  ILE  35          3HD1      ILE  35  -2.600  -8.998  -0.841
  303    H    GLY  36           H        GLY  36   1.429 -11.396  -0.842
  304   1HA   GLY  36          2HA       GLY  36   2.942 -13.056  -1.811
  305   2HA   GLY  36          1HA       GLY  36   1.765 -14.307  -1.411
  306    H    THR  37           H        THR  37   1.631 -11.208  -3.212
  307    HA   THR  37           HA       THR  37   0.183 -12.667  -5.385
  308    HB   THR  37           HB       THR  37  -0.165  -9.947  -5.872
  309    HG1  THR  37           HG1      THR  37   0.197  -9.055  -4.007
  310   1HG2  THR  37          1HG2      THR  37  -2.435 -10.623  -4.539
  311   2HG2  THR  37          2HG2      THR  37  -1.758 -12.220  -4.860
  312   3HG2  THR  37          3HG2      THR  37  -2.086 -11.117  -6.197
  313    H    GLN  38           H        GLN  38   3.042 -10.857  -4.623
  314    HA   GLN  38           HA       GLN  38   4.970 -10.452  -5.881
  315   1HB   GLN  38          2HB       GLN  38   3.551 -11.885  -8.148
  316   2HB   GLN  38          1HB       GLN  38   5.278 -11.564  -8.019
  317   1HG   GLN  38          2HG       GLN  38   4.062 -13.014  -5.731
  318   2HG   GLN  38          1HG       GLN  38   4.150 -13.905  -7.250
  319   1HE2  GLN  38          1HE2      GLN  38   6.327 -14.196  -8.229
  320   2HE2  GLN  38          2HE2      GLN  38   7.714 -14.087  -7.255
  321    HA   PRO  39           HA       PRO  39   4.009  -6.780  -8.086
  322   1HB   PRO  39          2HB       PRO  39   6.406  -6.407  -9.396
  323   2HB   PRO  39          1HB       PRO  39   6.167  -6.087  -7.670
  324   1HG   PRO  39          2HG       PRO  39   7.578  -8.365  -8.980
  325   2HG   PRO  39          1HG       PRO  39   7.835  -7.657  -7.376
  326   1HD   PRO  39          2HD       PRO  39   6.445 -10.056  -7.911
  327   2HD   PRO  39          1HD       PRO  39   6.406  -9.150  -6.384
  328    H    ASN  40           H        ASN  40   2.519  -8.346  -9.372
  329    HA   ASN  40           HA       ASN  40   2.890  -7.853 -12.212
  330   1HB   ASN  40          2HB       ASN  40   4.043 -10.209 -11.282
  331   2HB   ASN  40          1HB       ASN  40   2.472 -10.735 -11.885
  332   1HD2  ASN  40          1HD2      ASN  40   2.003 -10.391 -14.194
  333   2HD2  ASN  40          2HD2      ASN  40   3.252 -10.058 -15.296
  334    H    LYS  41           H        LYS  41   1.122  -9.831  -9.792
  335    HA   LYS  41           HA       LYS  41  -1.390  -9.381 -11.329
  336   1HB   LYS  41          2HB       LYS  41  -0.477 -11.655 -10.167
  337   2HB   LYS  41          1HB       LYS  41  -1.434 -11.000  -8.839
  338   1HG   LYS  41          2HG       LYS  41  -3.005 -10.637 -11.155
  339   2HG   LYS  41          1HG       LYS  41  -2.341 -12.267 -11.282
  340   1HD   LYS  41          2HD       LYS  41  -3.135 -11.896  -8.571
  341   2HD   LYS  41          1HD       LYS  41  -4.465 -11.334  -9.586
  342   1HE   LYS  41          2HE       LYS  41  -3.966 -13.556 -10.927
  343   2HE   LYS  41          1HE       LYS  41  -3.252 -14.071  -9.400
  344   1HZ   LYS  41          1HZ       LYS  41  -5.926 -14.079 -10.081
  345   2HZ   LYS  41          2HZ       LYS  41  -5.755 -12.810  -8.963
  346   3HZ   LYS  41          3HZ       LYS  41  -5.258 -14.384  -8.551
  347    H    ILE  42           H        ILE  42   0.230  -7.566  -9.201
  348    HA   ILE  42           HA       ILE  42  -2.054  -7.019  -7.377
  349    HB   ILE  42           HB       ILE  42   0.771  -5.904  -7.367
  350   1HG1  ILE  42          2HG1      ILE  42  -0.504  -7.929  -5.503
  351   2HG1  ILE  42          1HG1      ILE  42   0.522  -8.374  -6.867
  352   1HG2  ILE  42          1HG2      ILE  42  -1.679  -5.200  -5.935
  353   2HG2  ILE  42          2HG2      ILE  42  -0.139  -4.344  -6.003
  354   3HG2  ILE  42          3HG2      ILE  42  -0.374  -5.644  -4.835
  355   1HD1  ILE  42          1HD1      ILE  42   2.224  -6.694  -5.815
  356   2HD1  ILE  42          2HD1      ILE  42   2.054  -8.294  -5.094
  357   3HD1  ILE  42          3HD1      ILE  42   1.266  -6.903  -4.349
  358    H    VAL  43           H        VAL  43  -3.300  -5.231  -7.604
  359    HA   VAL  43           HA       VAL  43  -2.440  -3.133  -9.561
  360    HB   VAL  43           HB       VAL  43  -5.265  -4.120  -9.021
  361   1HG1  VAL  43          1HG1      VAL  43  -5.889  -2.162  -9.944
  362   2HG1  VAL  43          2HG1      VAL  43  -5.083  -2.658 -11.433
  363   3HG1  VAL  43          3HG1      VAL  43  -4.207  -1.714 -10.226
  364   1HG2  VAL  43          1HG2      VAL  43  -3.894  -5.755 -10.284
  365   2HG2  VAL  43          2HG2      VAL  43  -3.475  -4.496 -11.446
  366   3HG2  VAL  43          3HG2      VAL  43  -5.145  -5.044 -11.305
  367    H    LEU  44           H        LEU  44  -1.863  -1.431  -8.258
  368    HA   LEU  44           HA       LEU  44  -3.424  -0.921  -5.777
  369   1HB   LEU  44          2HB       LEU  44  -0.813   0.250  -6.786
  370   2HB   LEU  44          1HB       LEU  44  -1.579   0.688  -5.261
  371    HG   LEU  44           HG       LEU  44  -1.027  -2.203  -5.882
  372   1HD1  LEU  44          1HD1      LEU  44   1.165  -1.953  -4.747
  373   2HD1  LEU  44          2HD1      LEU  44   0.937  -0.204  -4.720
  374   3HD1  LEU  44          3HD1      LEU  44   1.104  -1.049  -6.259
  375   1HD2  LEU  44          1HD2      LEU  44  -0.769  -0.856  -3.212
  376   2HD2  LEU  44          2HD2      LEU  44  -1.287  -2.499  -3.588
  377   3HD2  LEU  44          3HD2      LEU  44  -2.382  -1.144  -3.864
  378    H    GLN  45           H        GLN  45  -4.740   0.858  -5.551
  379    HA   GLN  45           HA       GLN  45  -4.732   2.873  -7.763
  380   1HB   GLN  45          2HB       GLN  45  -7.259   2.189  -6.277
  381   2HB   GLN  45          1HB       GLN  45  -7.077   2.919  -7.866
  382   1HG   GLN  45          2HG       GLN  45  -5.824   0.439  -8.127
  383   2HG   GLN  45          1HG       GLN  45  -7.241   0.097  -7.136
  384   1HE2  GLN  45          1HE2      GLN  45  -9.398   0.878  -8.053
  385   2HE2  GLN  45          2HE2      GLN  45  -9.571   0.958  -9.740
  386    H    LYS  46           H        LYS  46  -4.995   5.042  -7.122
  387    HA   LYS  46           HA       LYS  46  -5.153   5.525  -4.173
  388   1HB   LYS  46          2HB       LYS  46  -2.932   5.985  -5.784
  389   2HB   LYS  46          1HB       LYS  46  -3.684   7.576  -5.664
  390   1HG   LYS  46          2HG       LYS  46  -3.761   6.317  -3.085
  391   2HG   LYS  46          1HG       LYS  46  -2.113   6.238  -3.704
  392   1HD   LYS  46          2HD       LYS  46  -1.885   8.552  -3.784
  393   2HD   LYS  46          1HD       LYS  46  -3.622   8.819  -3.940
  394   1HE   LYS  46          2HE       LYS  46  -2.818   9.474  -1.694
  395   2HE   LYS  46          1HE       LYS  46  -3.953   8.125  -1.602
  396   1HZ   LYS  46          1HZ       LYS  46  -2.180   6.599  -1.323
  397   2HZ   LYS  46          2HZ       LYS  46  -1.894   7.875  -0.238
  398   3HZ   LYS  46          3HZ       LYS  46  -1.009   7.770  -1.684
  399    H    GLY  47           H        GLY  47  -7.431   5.934  -4.426
  400   1HA   GLY  47          2HA       GLY  47  -9.224   7.446  -4.540
  401   2HA   GLY  47          1HA       GLY  47  -8.069   8.700  -4.989
  402    H    GLY  48           H        GLY  48  -9.083   5.638  -6.567
  403   1HA   GLY  48          2HA       GLY  48 -10.033   5.271  -8.685
  404   2HA   GLY  48          1HA       GLY  48 -10.459   6.981  -8.728
  405    H    SER  49           H        SER  49  -7.241   5.454  -8.461
  406    HA   SER  49           HA       SER  49  -6.560   6.378 -11.192
  407   1HB   SER  49          2HB       SER  49  -4.582   7.607 -10.431
  408   2HB   SER  49          1HB       SER  49  -6.023   8.286  -9.683
  409    HG   SER  49           HG       SER  49  -4.328   7.941  -8.174
  410    H    VAL  50           H        VAL  50  -5.220   4.908 -12.174
  411    HA   VAL  50           HA       VAL  50  -4.429   2.519 -10.685
  412    HB   VAL  50           HB       VAL  50  -3.793   3.318 -13.546
  413   1HG1  VAL  50          1HG1      VAL  50  -2.767   1.313 -13.778
  414   2HG1  VAL  50          2HG1      VAL  50  -4.026   0.474 -12.871
  415   3HG1  VAL  50          3HG1      VAL  50  -2.707   1.274 -12.016
  416   1HG2  VAL  50          1HG2      VAL  50  -5.989   2.959 -13.931
  417   2HG2  VAL  50          2HG2      VAL  50  -6.252   2.450 -12.263
  418   3HG2  VAL  50          3HG2      VAL  50  -5.730   1.276 -13.472
  419    H    LEU  51           H        LEU  51  -2.546   2.300  -9.617
  420    HA   LEU  51           HA       LEU  51  -0.399   4.297  -9.989
  421   1HB   LEU  51          2HB       LEU  51  -0.472   1.964  -8.050
  422   2HB   LEU  51          1HB       LEU  51   0.559   3.391  -7.964
  423    HG   LEU  51           HG       LEU  51  -2.463   3.344  -7.677
  424   1HD1  LEU  51          1HD1      LEU  51  -1.268   4.523  -5.445
  425   2HD1  LEU  51          2HD1      LEU  51  -0.234   3.142  -5.810
  426   3HD1  LEU  51          3HD1      LEU  51  -1.957   2.902  -5.524
  427   1HD2  LEU  51          1HD2      LEU  51  -0.603   5.476  -8.367
  428   2HD2  LEU  51          2HD2      LEU  51  -1.444   5.823  -6.857
  429   3HD2  LEU  51          3HD2      LEU  51  -2.365   5.504  -8.327
  430    H    LYS  52           H        LYS  52   1.360   3.890 -11.241
  431    HA   LYS  52           HA       LYS  52   1.820   1.076 -12.132
  432   1HB   LYS  52          2HB       LYS  52   1.897   3.674 -13.478
  433   2HB   LYS  52          1HB       LYS  52   3.342   2.708 -13.778
  434   1HG   LYS  52          2HG       LYS  52   0.773   1.238 -13.917
  435   2HG   LYS  52          1HG       LYS  52   1.036   2.429 -15.190
  436   1HD   LYS  52          2HD       LYS  52   2.770   1.257 -16.116
  437   2HD   LYS  52          1HD       LYS  52   3.353   0.682 -14.553
  438   1HE   LYS  52          2HE       LYS  52   1.092  -0.700 -14.582
  439   2HE   LYS  52          1HE       LYS  52   1.225  -0.467 -16.324
  440   1HZ   LYS  52          1HZ       LYS  52   3.008  -1.806 -16.458
  441   2HZ   LYS  52          2HZ       LYS  52   2.407  -2.451 -15.008
  442   3HZ   LYS  52          3HZ       LYS  52   3.657  -1.303 -14.974
  443    H    ASP  53           H        ASP  53   3.897   0.196 -12.046
  444    HA   ASP  53           HA       ASP  53   5.598   0.984  -9.897
  445   1HB   ASP  53          2HB       ASP  53   7.178  -0.683 -10.786
  446   2HB   ASP  53          1HB       ASP  53   5.534  -1.319 -10.805
  447    H    HIS  54           H        HIS  54   5.511   1.987 -13.247
  448    HA   HIS  54           HA       HIS  54   8.210   2.992 -13.415
  449   1HB   HIS  54          2HB       HIS  54   5.710   3.704 -14.975
  450   2HB   HIS  54          1HB       HIS  54   7.334   4.247 -15.395
  451    HD1  HIS  54           HD1      HIS  54   9.114   2.251 -15.882
  452    HD2  HIS  54           HD2      HIS  54   5.091   1.160 -15.905
  453    HE1  HIS  54           HE1      HIS  54   8.988   0.004 -17.041
  454    H    ILE  55           H        ILE  55   5.492   4.149 -11.678
  455    HA   ILE  55           HA       ILE  55   6.622   6.919 -11.639
  456    HB   ILE  55           HB       ILE  55   3.848   5.939 -10.886
  457   1HG1  ILE  55          2HG1      ILE  55   3.461   7.716 -12.872
  458   2HG1  ILE  55          1HG1      ILE  55   5.066   7.147 -13.331
  459   1HG2  ILE  55          1HG2      ILE  55   5.309   8.464 -10.411
  460   2HG2  ILE  55          2HG2      ILE  55   3.894   7.812  -9.587
  461   3HG2  ILE  55          3HG2      ILE  55   3.706   8.665 -11.118
  462   1HD1  ILE  55          1HD1      ILE  55   2.676   5.887 -13.949
  463   2HD1  ILE  55          2HD1      ILE  55   3.266   4.964 -12.567
  464   3HD1  ILE  55          3HD1      ILE  55   4.271   5.139 -14.006
  465    H    SER  56           H        SER  56   7.195   7.827  -9.663
  466    HA   SER  56           HA       SER  56   7.790   5.973  -7.498
  467   1HB   SER  56          2HB       SER  56   8.937   8.293  -8.339
  468   2HB   SER  56          1HB       SER  56   7.994   8.878  -6.971
  469    HG   SER  56           HG       SER  56   9.583   8.102  -5.835
  470    H    LEU  57           H        LEU  57   6.984   6.134  -5.320
  471    HA   LEU  57           HA       LEU  57   4.154   6.506  -5.093
  472   1HB   LEU  57          2HB       LEU  57   6.334   6.287  -2.997
  473   2HB   LEU  57          1HB       LEU  57   4.617   6.354  -2.598
  474    HG   LEU  57           HG       LEU  57   5.689   4.334  -4.571
  475   1HD1  LEU  57          1HD1      LEU  57   6.808   4.276  -2.226
  476   2HD1  LEU  57          2HD1      LEU  57   6.113   2.781  -2.851
  477   3HD1  LEU  57          3HD1      LEU  57   5.233   3.730  -1.653
  478   1HD2  LEU  57          1HD2      LEU  57   3.210   4.853  -4.362
  479   2HD2  LEU  57          2HD2      LEU  57   3.297   4.242  -2.709
  480   3HD2  LEU  57          3HD2      LEU  57   3.640   3.168  -4.066
  481    H    GLU  58           H        GLU  58   6.890   8.662  -4.489
  482    HA   GLU  58           HA       GLU  58   5.536  10.683  -3.002
  483   1HB   GLU  58          2HB       GLU  58   8.054  10.471  -3.474
  484   2HB   GLU  58          1HB       GLU  58   7.713  11.230  -5.030
  485   1HG   GLU  58          2HG       GLU  58   8.321  13.007  -3.540
  486   2HG   GLU  58          1HG       GLU  58   6.571  13.102  -3.731
  487    H    ASP  59           H        ASP  59   5.686  10.030  -6.484
  488    HA   ASP  59           HA       ASP  59   4.503  12.497  -7.370
  489   1HB   ASP  59          2HB       ASP  59   4.496   9.725  -8.608
  490   2HB   ASP  59          1HB       ASP  59   3.915  11.174  -9.429
  491    H    TYR  60           H        TYR  60   3.099   9.315  -6.556
  492    HA   TYR  60           HA       TYR  60   0.361  10.151  -7.032
  493   1HB   TYR  60          2HB       TYR  60   1.550   7.800  -5.535
  494   2HB   TYR  60          1HB       TYR  60  -0.184   8.027  -5.767
  495    HD1  TYR  60           HD1      TYR  60  -0.724   8.788  -8.369
  496    HD2  TYR  60           HD2      TYR  60   2.540   6.328  -7.041
  497    HE1  TYR  60           HE1      TYR  60  -0.551   7.794 -10.633
  498    HE2  TYR  60           HE2      TYR  60   2.712   5.335  -9.306
  499    HH   TYR  60           HH       TYR  60   0.390   6.149 -11.863
  500    H    GLU  61           H        GLU  61   2.581  10.632  -4.444
  501    HA   GLU  61           HA       GLU  61   2.350  11.894  -2.495
  502   1HB   GLU  61          2HB       GLU  61   0.185  12.745  -3.978
  503   2HB   GLU  61          1HB       GLU  61  -0.582  12.141  -2.510
  504   1HG   GLU  61          2HG       GLU  61  -0.042  14.470  -2.154
  505   2HG   GLU  61          1HG       GLU  61   1.065  13.505  -1.179
  506    H    VAL  62           H        VAL  62   2.857   9.576  -1.815
  507    HA   VAL  62           HA       VAL  62   0.618   8.378  -0.239
  508    HB   VAL  62           HB       VAL  62   3.317   7.186  -0.974
  509   1HG1  VAL  62          1HG1      VAL  62   0.890   5.679  -0.020
  510   2HG1  VAL  62          2HG1      VAL  62   1.995   6.410   1.142
  511   3HG1  VAL  62          3HG1      VAL  62   2.583   5.187   0.017
  512   1HG2  VAL  62          1HG2      VAL  62   0.966   7.549  -2.547
  513   2HG2  VAL  62          2HG2      VAL  62   1.065   5.836  -2.141
  514   3HG2  VAL  62          3HG2      VAL  62   2.412   6.626  -2.961
  515    H    HIS  63           H        HIS  63   0.607   9.127   1.831
  516    HA   HIS  63           HA       HIS  63   3.227   9.766   3.126
  517   1HB   HIS  63          2HB       HIS  63   0.428  10.798   3.647
  518   2HB   HIS  63          1HB       HIS  63   1.795  11.131   4.710
  519    HD1  HIS  63           HD1      HIS  63   0.128  12.378   1.735
  520    HD2  HIS  63           HD2      HIS  63   4.025  12.471   3.211
  521    HE1  HIS  63           HE1      HIS  63   1.329  14.213   0.469
  522    H    ASP  64           H        ASP  64   2.827   9.635   5.710
  523    HA   ASP  64           HA       ASP  64   2.591   6.831   6.321
  524   1HB   ASP  64          2HB       ASP  64   3.915   8.715   7.559
  525   2HB   ASP  64          1HB       ASP  64   2.395   8.995   8.406
  526    H    GLN  65           H        GLN  65   0.886   5.678   7.148
  527    HA   GLN  65           HA       GLN  65  -1.318   5.137   7.701
  528   1HB   GLN  65          2HB       GLN  65  -0.660   7.541   9.168
  529   2HB   GLN  65          1HB       GLN  65  -2.366   7.556   8.726
  530   1HG   GLN  65          2HG       GLN  65  -2.527   6.314  10.656
  531   2HG   GLN  65          1HG       GLN  65  -2.187   5.002   9.527
  532   1HE2  GLN  65          1HE2      GLN  65  -0.030   4.047   9.562
  533   2HE2  GLN  65          2HE2      GLN  65   1.061   4.365  10.822
  534    H    THR  66           H        THR  66  -0.794   6.097   5.024
  535    HA   THR  66           HA       THR  66  -3.132   7.791   4.354
  536    HB   THR  66           HB       THR  66  -0.862   8.136   3.273
  537    HG1  THR  66           HG1      THR  66  -2.242   9.044   1.986
  538   1HG2  THR  66          1HG2      THR  66  -0.257   6.601   1.437
  539   2HG2  THR  66          2HG2      THR  66  -1.604   5.551   1.874
  540   3HG2  THR  66          3HG2      THR  66  -0.257   5.769   2.992
  541    H    ASN  67           H        ASN  67  -4.659   7.043   2.656
  542    HA   ASN  67           HA       ASN  67  -5.239   4.145   2.993
  543   1HB   ASN  67          2HB       ASN  67  -6.951   6.072   3.398
  544   2HB   ASN  67          1HB       ASN  67  -7.073   6.112   1.638
  545   1HD2  ASN  67          1HD2      ASN  67  -7.319   3.819   4.411
  546   2HD2  ASN  67          2HD2      ASN  67  -8.438   2.791   3.652
  547    H    LEU  68           H        LEU  68  -5.378   2.745   1.267
  548    HA   LEU  68           HA       LEU  68  -4.984   3.787  -1.490
  549   1HB   LEU  68          2HB       LEU  68  -2.864   2.754  -0.018
  550   2HB   LEU  68          1HB       LEU  68  -3.410   1.369  -0.962
  551    HG   LEU  68           HG       LEU  68  -3.394   3.740  -2.616
  552   1HD1  LEU  68          1HD1      LEU  68  -1.285   4.598  -2.370
  553   2HD1  LEU  68          2HD1      LEU  68  -0.601   3.050  -1.873
  554   3HD1  LEU  68          3HD1      LEU  68  -1.491   4.036  -0.712
  555   1HD2  LEU  68          1HD2      LEU  68  -1.354   1.862  -3.316
  556   2HD2  LEU  68          2HD2      LEU  68  -2.940   2.070  -4.059
  557   3HD2  LEU  68          3HD2      LEU  68  -2.739   0.952  -2.710
  558    H    GLU  69           H        GLU  69  -5.409   2.024  -3.126
  559    HA   GLU  69           HA       GLU  69  -7.477   0.129  -2.077
  560   1HB   GLU  69          2HB       GLU  69  -7.165   1.544  -4.726
  561   2HB   GLU  69          1HB       GLU  69  -8.218   0.141  -4.548
  562   1HG   GLU  69          2HG       GLU  69  -9.784   1.697  -3.973
  563   2HG   GLU  69          1HG       GLU  69  -8.994   1.627  -2.396
  564    H    LEU  70           H        LEU  70  -7.434  -2.042  -2.806
  565    HA   LEU  70           HA       LEU  70  -4.964  -2.858  -4.284
  566   1HB   LEU  70          2HB       LEU  70  -4.832  -3.384  -1.837
  567   2HB   LEU  70          1HB       LEU  70  -6.273  -4.383  -2.011
  568    HG   LEU  70           HG       LEU  70  -5.126  -5.848  -3.588
  569   1HD1  LEU  70          1HD1      LEU  70  -2.627  -5.457  -3.937
  570   2HD1  LEU  70          2HD1      LEU  70  -2.883  -3.836  -3.292
  571   3HD1  LEU  70          3HD1      LEU  70  -3.698  -4.334  -4.774
  572   1HD2  LEU  70          1HD2      LEU  70  -4.812  -6.132  -1.077
  573   2HD2  LEU  70          2HD2      LEU  70  -3.251  -5.335  -1.265
  574   3HD2  LEU  70          3HD2      LEU  70  -3.561  -6.869  -2.078
  575    H    TYR  71           H        TYR  71  -5.359  -4.094  -6.042
  576    HA   TYR  71           HA       TYR  71  -7.923  -5.605  -6.212
  577   1HB   TYR  71          2HB       TYR  71  -6.877  -3.504  -8.080
  578   2HB   TYR  71          1HB       TYR  71  -7.776  -4.865  -8.753
  579    HD1  TYR  71           HD1      TYR  71  -7.947  -1.942  -6.498
  580    HD2  TYR  71           HD2      TYR  71 -10.141  -5.171  -8.295
  581    HE1  TYR  71           HE1      TYR  71 -10.078  -0.888  -5.793
  582    HE2  TYR  71           HE2      TYR  71 -12.270  -4.116  -7.590
  583    HH   TYR  71           HH       TYR  71 -12.810  -1.298  -6.970
  584    H    TYR  72           H        TYR  72  -7.792  -7.481  -7.593
  585    HA   TYR  72           HA       TYR  72  -4.980  -8.342  -8.123
  586   1HB   TYR  72          2HB       TYR  72  -7.461 -10.050  -7.746
  587   2HB   TYR  72          1HB       TYR  72  -5.816 -10.646  -7.954
  588    HD1  TYR  72           HD1      TYR  72  -8.174 -10.326  -5.544
  589    HD2  TYR  72           HD2      TYR  72  -4.134  -9.062  -6.287
  590    HE1  TYR  72           HE1      TYR  72  -7.790 -10.112  -3.104
  591    HE2  TYR  72           HE2      TYR  72  -3.752  -8.850  -3.846
  592    HH   TYR  72           HH       TYR  72  -5.046 -10.114  -1.663
  593    H    LEU  73           HN       LEU  73  -4.395  -8.363 -10.206
  594    HA   LEU  73           HA       LEU  73  -4.461  -8.744 -12.516
  595   1HB   LEU  73          2HB       LEU  73  -6.266 -10.555 -11.690
  596   2HB   LEU  73          1HB       LEU  73  -7.355  -9.467 -12.553
  597    HG   LEU  73           HG       LEU  73  -5.059  -9.768 -14.190
  598   1HD1  LEU  73          1HD1      LEU  73  -4.902 -11.885 -12.597
  599   2HD1  LEU  73          2HD1      LEU  73  -4.601 -12.035 -14.328
  600   3HD1  LEU  73          3HD1      LEU  73  -6.166 -12.501 -13.662
  601   1HD2  LEU  73          1HD2      LEU  73  -6.867  -9.645 -15.541
  602   2HD2  LEU  73          2HD2      LEU  73  -7.948 -10.199 -14.263
  603   3HD2  LEU  73          3HD2      LEU  73  -7.083 -11.372 -15.256
  Start of MODEL   13
    1    H    MET   1           1H       MET   1  10.503   6.819   6.928
    2    HA   MET   1           HA       MET   1   9.338   5.124   4.786
    3   1HB   MET   1          2HB       MET   1  11.161   4.278   6.612
    4   2HB   MET   1          1HB       MET   1   9.679   4.105   7.553
    5   1HG   MET   1          2HG       MET   1   8.783   2.520   6.106
    6   2HG   MET   1          1HG       MET   1   9.731   3.090   4.732
    7   1HE   MET   1          1HE       MET   1   9.987   0.498   4.293
    8   2HE   MET   1          2HE       MET   1  11.668   0.015   4.499
    9   3HE   MET   1          3HE       MET   1  11.290   1.569   3.761
   10    H    ILE   2           H        ILE   2   7.134   5.003   4.909
   11    HA   ILE   2           HA       ILE   2   5.810   6.178   7.325
   12    HB   ILE   2           HB       ILE   2   4.019   6.997   5.832
   13   1HG1  ILE   2          2HG1      ILE   2   5.813   6.267   3.506
   14   2HG1  ILE   2          1HG1      ILE   2   4.534   5.189   4.060
   15   1HG2  ILE   2          1HG2      ILE   2   5.165   8.910   5.178
   16   2HG2  ILE   2          2HG2      ILE   2   6.558   8.002   4.591
   17   3HG2  ILE   2          3HG2      ILE   2   6.318   8.224   6.325
   18   1HD1  ILE   2          1HD1      ILE   2   4.045   6.982   2.174
   19   2HD1  ILE   2          2HD1      ILE   2   3.863   8.065   3.554
   20   3HD1  ILE   2          3HD1      ILE   2   2.839   6.637   3.413
   21    H    GLU   3           H        GLU   3   3.589   5.331   7.692
   22    HA   GLU   3           HA       GLU   3   3.403   2.461   6.867
   23   1HB   GLU   3          2HB       GLU   3   3.474   3.459   9.402
   24   2HB   GLU   3          1HB       GLU   3   1.734   3.437   9.116
   25   1HG   GLU   3          2HG       GLU   3   3.489   1.048   8.515
   26   2HG   GLU   3          1HG       GLU   3   2.760   1.298  10.101
   27    H    VAL   4           H        VAL   4   1.957   2.218   5.236
   28    HA   VAL   4           HA       VAL   4  -0.470   3.968   5.231
   29    HB   VAL   4           HB       VAL   4  -0.588   3.490   2.790
   30   1HG1  VAL   4          1HG1      VAL   4   2.167   4.490   3.547
   31   2HG1  VAL   4          2HG1      VAL   4   0.706   5.445   3.798
   32   3HG1  VAL   4          3HG1      VAL   4   1.183   4.975   2.166
   33   1HG2  VAL   4          1HG2      VAL   4   0.627   1.285   2.950
   34   2HG2  VAL   4          2HG2      VAL   4   2.123   2.188   3.185
   35   3HG2  VAL   4          3HG2      VAL   4   1.227   2.343   1.674
   36    H    VAL   5           H        VAL   5  -2.496   2.984   4.643
   37    HA   VAL   5           HA       VAL   5  -2.591   0.048   5.230
   38    HB   VAL   5           HB       VAL   5  -5.125   0.698   5.670
   39   1HG1  VAL   5          1HG1      VAL   5  -3.278  -0.143   7.265
   40   2HG1  VAL   5          2HG1      VAL   5  -4.640   0.722   7.977
   41   3HG1  VAL   5          3HG1      VAL   5  -3.101   1.548   7.736
   42   1HG2  VAL   5          1HG2      VAL   5  -3.829   3.264   6.573
   43   2HG2  VAL   5          2HG2      VAL   5  -5.540   2.909   6.340
   44   3HG2  VAL   5          3HG2      VAL   5  -4.491   3.137   4.941
   45    H    VAL   6           H        VAL   6  -3.537  -1.287   3.738
   46    HA   VAL   6           HA       VAL   6  -4.753   0.006   1.324
   47    HB   VAL   6           HB       VAL   6  -3.355  -2.673   1.283
   48   1HG1  VAL   6          1HG1      VAL   6  -3.439  -2.446  -1.024
   49   2HG1  VAL   6          2HG1      VAL   6  -3.462  -0.684  -0.955
   50   3HG1  VAL   6          3HG1      VAL   6  -4.919  -1.601  -0.569
   51   1HG2  VAL   6          1HG2      VAL   6  -2.173   0.060   1.395
   52   2HG2  VAL   6          2HG2      VAL   6  -1.510  -1.031   0.179
   53   3HG2  VAL   6          3HG2      VAL   6  -1.478  -1.486   1.883
   54    H    ASN   7           H        ASN   7  -6.861  -0.513   1.058
   55    HA   ASN   7           HA       ASN   7  -7.900  -2.990   2.376
   56   1HB   ASN   7          2HB       ASN   7  -9.108  -0.298   1.800
   57   2HB   ASN   7          1HB       ASN   7 -10.159  -1.708   1.935
   58   1HD2  ASN   7          1HD2      ASN   7  -7.570   0.036   3.743
   59   2HD2  ASN   7          2HD2      ASN   7  -8.136  -0.415   5.278
   60    H    ASP   8           H        ASP   8  -9.000  -4.499   1.132
   61    HA   ASP   8           HA       ASP   8  -8.614  -4.371  -1.759
   62   1HB   ASP   8          2HB       ASP   8  -9.178  -6.406   0.225
   63   2HB   ASP   8          1HB       ASP   8 -10.248  -6.580  -1.165
   64    H    ARG   9           H        ARG   9 -11.094  -3.242   0.275
   65    HA   ARG   9           HA       ARG   9 -13.221  -2.385  -0.176
   66   1HB   ARG   9          2HB       ARG   9 -11.857  -2.392  -2.787
   67   2HB   ARG   9          1HB       ARG   9 -13.615  -2.467  -2.908
   68   1HG   ARG   9          2HG       ARG   9 -13.183  -0.157  -2.824
   69   2HG   ARG   9          1HG       ARG   9 -13.589  -0.549  -1.150
   70   1HD   ARG   9          2HD       ARG   9 -11.161  -0.817  -0.663
   71   2HD   ARG   9          1HD       ARG   9 -10.799  -0.304  -2.311
   72    HE   ARG   9           HE       ARG   9 -12.134   1.844  -1.575
   73   1HH1  ARG   9          1HH2      ARG   9  -9.170   0.878  -0.649
   74   2HH1  ARG   9          2HH2      ARG   9  -9.136   1.671   0.888
   75   1HH2  ARG   9          2HH1      ARG   9 -12.536   2.423   0.871
   76   2HH2  ARG   9          1HH1      ARG   9 -11.052   2.553   1.754
   77    H    LEU  10           H        LEU  10 -12.851  -5.224   0.298
   78    HA   LEU  10           HA       LEU  10 -15.453  -6.161  -0.694
   79   1HB   LEU  10          2HB       LEU  10 -12.991  -6.978  -1.960
   80   2HB   LEU  10          1HB       LEU  10 -13.725  -8.364  -1.156
   81    HG   LEU  10           HG       LEU  10 -15.817  -6.901  -2.434
   82   1HD1  LEU  10          1HD1      LEU  10 -14.536  -5.906  -4.081
   83   2HD1  LEU  10          2HD1      LEU  10 -14.788  -7.483  -4.830
   84   3HD1  LEU  10          3HD1      LEU  10 -13.276  -7.137  -3.992
   85   1HD2  LEU  10          1HD2      LEU  10 -15.462  -9.172  -3.920
   86   2HD2  LEU  10          2HD2      LEU  10 -16.294  -9.132  -2.366
   87   3HD2  LEU  10          3HD2      LEU  10 -14.594  -9.595  -2.444
   88    H    GLY  11           H        GLY  11 -12.457  -7.483   0.765
   89   1HA   GLY  11          2HA       GLY  11 -13.576  -7.740   3.395
   90   2HA   GLY  11          1HA       GLY  11 -13.685  -9.288   2.554
   91    H    LYS  12           H        LYS  12 -11.153  -6.762   2.466
   92    HA   LYS  12           HA       LYS  12  -9.257  -8.505   3.885
   93   1HB   LYS  12          2HB       LYS  12  -9.453  -8.742   1.106
   94   2HB   LYS  12          1HB       LYS  12  -8.061  -7.689   1.358
   95   1HG   LYS  12          2HG       LYS  12  -7.313  -9.408   3.130
   96   2HG   LYS  12          1HG       LYS  12  -8.498 -10.489   2.391
   97   1HD   LYS  12          2HD       LYS  12  -7.411 -10.137   0.186
   98   2HD   LYS  12          1HD       LYS  12  -6.197  -9.124   0.966
   99   1HE   LYS  12          2HE       LYS  12  -5.701 -11.115   2.484
  100   2HE   LYS  12          1HE       LYS  12  -6.684 -12.079   1.382
  101   1HZ   LYS  12          1HZ       LYS  12  -4.386 -12.208   0.740
  102   2HZ   LYS  12          2HZ       LYS  12  -4.261 -10.515   0.676
  103   3HZ   LYS  12          3HZ       LYS  12  -5.239 -11.340  -0.441
  104    H    LYS  13           H        LYS  13  -7.805  -7.258   4.966
  105    HA   LYS  13           HA       LYS  13  -7.301  -4.481   4.001
  106   1HB   LYS  13          2HB       LYS  13  -9.031  -4.475   5.823
  107   2HB   LYS  13          1HB       LYS  13  -7.844  -5.221   6.894
  108   1HG   LYS  13          2HG       LYS  13  -6.736  -2.895   5.541
  109   2HG   LYS  13          1HG       LYS  13  -8.186  -2.479   6.457
  110   1HD   LYS  13          2HD       LYS  13  -7.264  -3.437   8.479
  111   2HD   LYS  13          1HD       LYS  13  -5.882  -4.084   7.593
  112   1HE   LYS  13          2HE       LYS  13  -5.438  -1.610   6.921
  113   2HE   LYS  13          1HE       LYS  13  -6.506  -1.216   8.268
  114   1HZ   LYS  13          1HZ       LYS  13  -5.063  -2.106   9.797
  115   2HZ   LYS  13          2HZ       LYS  13  -3.972  -1.463   8.664
  116   3HZ   LYS  13          3HZ       LYS  13  -4.306  -3.128   8.674
  117    H    VAL  14           H        VAL  14  -5.152  -4.544   3.536
  118    HA   VAL  14           HA       VAL  14  -3.332  -5.904   5.490
  119    HB   VAL  14           HB       VAL  14  -2.802  -5.414   2.544
  120   1HG1  VAL  14          1HG1      VAL  14  -0.750  -5.634   3.761
  121   2HG1  VAL  14          2HG1      VAL  14  -1.047  -7.206   3.019
  122   3HG1  VAL  14          3HG1      VAL  14  -1.389  -6.962   4.731
  123   1HG2  VAL  14          1HG2      VAL  14  -3.028  -8.115   2.802
  124   2HG2  VAL  14          2HG2      VAL  14  -4.358  -7.074   2.291
  125   3HG2  VAL  14          3HG2      VAL  14  -4.234  -7.586   3.975
  126    H    ARG  15           H        ARG  15  -1.793  -4.661   6.423
  127    HA   ARG  15           HA       ARG  15  -1.521  -1.836   5.506
  128   1HB   ARG  15          2HB       ARG  15  -0.665  -1.366   7.745
  129   2HB   ARG  15          1HB       ARG  15  -2.191  -2.235   7.880
  130   1HG   ARG  15          2HG       ARG  15  -0.307  -4.274   7.766
  131   2HG   ARG  15          1HG       ARG  15   0.484  -3.041   8.747
  132   1HD   ARG  15          2HD       ARG  15  -0.867  -3.467  10.496
  133   2HD   ARG  15          1HD       ARG  15  -2.307  -3.305   9.491
  134    HE   ARG  15           HE       ARG  15  -0.857  -5.834  10.038
  135   1HH1  ARG  15          2HH1      ARG  15  -3.847  -5.088  10.463
  136   2HH1  ARG  15          1HH1      ARG  15  -4.576  -6.044   9.216
  137   1HH2  ARG  15          1HH2      ARG  15  -1.584  -6.645   7.559
  138   2HH2  ARG  15          2HH2      ARG  15  -3.293  -6.927   7.569
  139    H    VAL  16           H        VAL  16   0.606  -0.967   5.157
  140    HA   VAL  16           HA       VAL  16   2.924  -2.782   5.332
  141    HB   VAL  16           HB       VAL  16   1.746  -3.276   3.143
  142   1HG1  VAL  16          1HG1      VAL  16   1.624  -1.669   1.435
  143   2HG1  VAL  16          2HG1      VAL  16   2.822  -0.625   2.198
  144   3HG1  VAL  16          3HG1      VAL  16   1.195  -0.741   2.871
  145   1HG2  VAL  16          1HG2      VAL  16   4.155  -3.722   3.471
  146   2HG2  VAL  16          2HG2      VAL  16   4.528  -2.075   2.962
  147   3HG2  VAL  16          3HG2      VAL  16   3.824  -3.213   1.814
  148    H    LYS  17           H        LYS  17   4.937  -1.655   5.155
  149    HA   LYS  17           HA       LYS  17   4.659   1.319   5.304
  150   1HB   LYS  17          2HB       LYS  17   6.672   1.318   6.690
  151   2HB   LYS  17          1HB       LYS  17   5.469   0.232   7.384
  152   1HG   LYS  17          2HG       LYS  17   6.602  -1.692   6.329
  153   2HG   LYS  17          1HG       LYS  17   7.812  -0.602   5.649
  154   1HD   LYS  17          2HD       LYS  17   8.990  -0.795   7.554
  155   2HD   LYS  17          1HD       LYS  17   7.667   0.002   8.411
  156   1HE   LYS  17          2HE       LYS  17   6.655  -2.521   8.153
  157   2HE   LYS  17          1HE       LYS  17   8.380  -2.873   8.289
  158   1HZ   LYS  17          1HZ       LYS  17   6.557  -1.679  10.237
  159   2HZ   LYS  17          2HZ       LYS  17   8.159  -1.109  10.227
  160   3HZ   LYS  17          3HZ       LYS  17   7.841  -2.758  10.478
  161    H    CYS  18           H        CYS  18   5.994   2.598   4.027
  162    HA   CYS  18           HA       CYS  18   8.221   1.460   2.499
  163   1HB   CYS  18          2HB       CYS  18   5.558   1.612   1.345
  164   2HB   CYS  18          1HB       CYS  18   6.686   2.636   0.455
  165    HG   CYS  18           HG       CYS  18   6.919  -0.450   0.745
  166    H    LEU  19           H        LEU  19   9.440   3.161   1.382
  167    HA   LEU  19           HA       LEU  19   9.227   5.751   2.726
  168   1HB   LEU  19          2HB       LEU  19  11.157   4.438   0.863
  169   2HB   LEU  19          1HB       LEU  19  11.127   6.200   0.883
  170    HG   LEU  19           HG       LEU  19  11.062   5.063   3.576
  171   1HD1  LEU  19          1HD1      LEU  19  12.423   3.287   2.774
  172   2HD1  LEU  19          2HD1      LEU  19  13.561   4.466   3.427
  173   3HD1  LEU  19          3HD1      LEU  19  13.309   4.354   1.684
  174   1HD2  LEU  19          1HD2      LEU  19  12.573   6.820   4.012
  175   2HD2  LEU  19          2HD2      LEU  19  11.597   7.457   2.688
  176   3HD2  LEU  19          3HD2      LEU  19  13.205   6.807   2.366
  177    H    ALA  20           H        ALA  20   8.710   7.737   1.716
  178    HA   ALA  20           HA       ALA  20   6.715   7.659  -0.342
  179   1HB   ALA  20          1HB       ALA  20   7.388   9.505   1.487
  180   2HB   ALA  20          2HB       ALA  20   6.509   9.925   0.017
  181   3HB   ALA  20          3HB       ALA  20   8.253  10.176   0.105
  182    H    GLU  21           H        GLU  21  10.198   7.816  -0.465
  183    HA   GLU  21           HA       GLU  21  10.239   8.761  -3.258
  184   1HB   GLU  21          2HB       GLU  21  12.676   8.578  -3.066
  185   2HB   GLU  21          1HB       GLU  21  12.025   9.454  -1.683
  186   1HG   GLU  21          2HG       GLU  21  11.929   6.948  -0.685
  187   2HG   GLU  21          1HG       GLU  21  13.284   6.759  -1.796
  188    H    ASP  22           H        ASP  22   9.976   5.745  -1.615
  189    HA   ASP  22           HA       ASP  22  11.348   4.010  -3.416
  190   1HB   ASP  22          2HB       ASP  22   9.435   3.743  -1.238
  191   2HB   ASP  22          1HB       ASP  22   9.087   2.599  -2.533
  192    H    SER  23           H        SER  23  10.548   2.783  -5.201
  193    HA   SER  23           HA       SER  23   8.633   4.223  -6.863
  194   1HB   SER  23          2HB       SER  23   9.149   2.500  -8.551
  195   2HB   SER  23          1HB       SER  23  10.624   3.164  -7.855
  196    HG   SER  23           HG       SER  23  10.673   0.881  -7.936
  197    H    VAL  24           H        VAL  24   6.714   3.196  -7.830
  198    HA   VAL  24           HA       VAL  24   4.991   1.965  -5.902
  199    HB   VAL  24           HB       VAL  24   4.798   2.153  -8.921
  200   1HG1  VAL  24          1HG1      VAL  24   2.359   1.643  -8.528
  201   2HG1  VAL  24          2HG1      VAL  24   2.779   1.190  -6.876
  202   3HG1  VAL  24          3HG1      VAL  24   3.434   0.277  -8.235
  203   1HG2  VAL  24          1HG2      VAL  24   4.011   4.233  -8.546
  204   2HG2  VAL  24          2HG2      VAL  24   4.479   4.050  -6.855
  205   3HG2  VAL  24          3HG2      VAL  24   2.847   3.626  -7.368
  206    H    GLY  25           H        GLY  25   7.024   0.628  -8.495
  207   1HA   GLY  25          2HA       GLY  25   6.100  -2.061  -8.445
  208   2HA   GLY  25          1HA       GLY  25   7.738  -1.575  -8.888
  209    H    ASP  26           H        ASP  26   8.517  -0.377  -6.445
  210    HA   ASP  26           HA       ASP  26   9.337  -2.665  -4.906
  211   1HB   ASP  26          2HB       ASP  26  10.170  -0.060  -5.076
  212   2HB   ASP  26          1HB       ASP  26   9.319  -0.042  -3.531
  213    H    PHE  27           H        PHE  27   6.781  -0.228  -4.491
  214    HA   PHE  27           HA       PHE  27   5.857  -1.006  -1.907
  215   1HB   PHE  27          2HB       PHE  27   5.192   1.056  -3.281
  216   2HB   PHE  27          1HB       PHE  27   4.092  -0.006  -4.158
  217    HD1  PHE  27           HD1      PHE  27   4.668   1.850  -1.090
  218    HD2  PHE  27           HD2      PHE  27   2.282  -1.234  -2.894
  219    HE1  PHE  27           HE1      PHE  27   2.991   2.085   0.718
  220    HE2  PHE  27           HE2      PHE  27   0.605  -0.997  -1.084
  221    HZ   PHE  27           HZ       PHE  27   0.960   0.662   0.721
  222    H    LYS  28           H        LYS  28   4.918  -2.119  -5.166
  223    HA   LYS  28           HA       LYS  28   2.897  -3.963  -4.297
  224   1HB   LYS  28          2HB       LYS  28   4.537  -3.652  -6.801
  225   2HB   LYS  28          1HB       LYS  28   3.496  -5.062  -6.595
  226   1HG   LYS  28          2HG       LYS  28   1.640  -3.373  -5.993
  227   2HG   LYS  28          1HG       LYS  28   2.706  -2.150  -6.684
  228   1HD   LYS  28          2HD       LYS  28   2.339  -4.578  -8.340
  229   2HD   LYS  28          1HD       LYS  28   0.902  -3.574  -8.143
  230   1HE   LYS  28          2HE       LYS  28   3.363  -2.050  -8.684
  231   2HE   LYS  28          1HE       LYS  28   2.876  -3.118  -9.998
  232   1HZ   LYS  28          1HZ       LYS  28   1.866  -0.656  -9.524
  233   2HZ   LYS  28          2HZ       LYS  28   0.685  -1.663  -8.838
  234   3HZ   LYS  28          3HZ       LYS  28   1.123  -1.851 -10.468
  235    H    LYS  29           H        LYS  29   6.406  -4.229  -4.649
  236    HA   LYS  29           HA       LYS  29   6.567  -7.094  -4.398
  237   1HB   LYS  29          2HB       LYS  29   8.529  -4.852  -3.899
  238   2HB   LYS  29          1HB       LYS  29   8.956  -6.542  -3.622
  239   1HG   LYS  29          2HG       LYS  29   7.734  -6.570  -6.124
  240   2HG   LYS  29          1HG       LYS  29   8.694  -5.089  -6.138
  241   1HD   LYS  29          2HD       LYS  29  10.438  -6.849  -4.975
  242   2HD   LYS  29          1HD       LYS  29   9.580  -7.901  -6.104
  243   1HE   LYS  29          2HE       LYS  29  10.324  -6.744  -7.961
  244   2HE   LYS  29          1HE       LYS  29  10.476  -5.223  -7.079
  245   1HZ   LYS  29          1HZ       LYS  29  12.243  -7.584  -6.738
  246   2HZ   LYS  29          2HZ       LYS  29  12.396  -6.095  -5.934
  247   3HZ   LYS  29          3HZ       LYS  29  12.637  -6.185  -7.613
  248    H    VAL  30           H        VAL  30   6.654  -4.435  -2.014
  249    HA   VAL  30           HA       VAL  30   7.127  -6.173   0.258
  250    HB   VAL  30           HB       VAL  30   5.820  -3.431   0.280
  251   1HG1  VAL  30          1HG1      VAL  30   7.467  -4.907   2.359
  252   2HG1  VAL  30          2HG1      VAL  30   5.710  -4.760   2.386
  253   3HG1  VAL  30          3HG1      VAL  30   6.717  -3.323   2.556
  254   1HG2  VAL  30          1HG2      VAL  30   8.311  -2.811   0.879
  255   2HG2  VAL  30          2HG2      VAL  30   7.842  -2.978  -0.812
  256   3HG2  VAL  30          3HG2      VAL  30   8.690  -4.294   0.002
  257    H    LEU  31           H        LEU  31   4.261  -5.032  -1.451
  258    HA   LEU  31           HA       LEU  31   2.349  -5.934   0.542
  259   1HB   LEU  31          2HB       LEU  31   2.240  -4.381  -1.780
  260   2HB   LEU  31          1HB       LEU  31   1.343  -5.838  -2.204
  261    HG   LEU  31           HG       LEU  31  -0.172  -4.181  -1.226
  262   1HD1  LEU  31          1HD1      LEU  31   0.253  -6.241   0.929
  263   2HD1  LEU  31          2HD1      LEU  31  -0.283  -6.726  -0.679
  264   3HD1  LEU  31          3HD1      LEU  31  -1.264  -5.617   0.280
  265   1HD2  LEU  31          1HD2      LEU  31   1.421  -4.394   1.335
  266   2HD2  LEU  31          2HD2      LEU  31   0.147  -3.241   0.937
  267   3HD2  LEU  31          3HD2      LEU  31   1.722  -3.120   0.153
  268    H    SER  32           H        SER  32   3.488  -7.253  -2.583
  269    HA   SER  32           HA       SER  32   1.939  -9.579  -2.737
  270   1HB   SER  32          2HB       SER  32   3.804 -10.546  -4.061
  271   2HB   SER  32          1HB       SER  32   3.435  -8.894  -4.539
  272    HG   SER  32           HG       SER  32   5.691  -9.289  -4.254
  273    H    LEU  33           H        LEU  33   4.653  -8.962  -0.576
  274    HA   LEU  33           HA       LEU  33   5.180 -11.713   0.107
  275   1HB   LEU  33          2HB       LEU  33   5.726  -9.081   1.489
  276   2HB   LEU  33          1HB       LEU  33   6.153 -10.623   2.233
  277    HG   LEU  33           HG       LEU  33   6.980 -10.160  -0.604
  278   1HD1  LEU  33          1HD1      LEU  33   7.661  -8.350   1.494
  279   2HD1  LEU  33          2HD1      LEU  33   8.311  -8.407  -0.146
  280   3HD1  LEU  33          3HD1      LEU  33   9.090  -9.322   1.146
  281   1HD2  LEU  33          1HD2      LEU  33   9.064 -11.265   0.836
  282   2HD2  LEU  33          2HD2      LEU  33   7.846 -12.187  -0.044
  283   3HD2  LEU  33          3HD2      LEU  33   7.650 -11.889   1.683
  284    H    GLN  34           H        GLN  34   2.983  -9.251   1.441
  285    HA   GLN  34           HA       GLN  34   2.074 -11.017   3.597
  286   1HB   GLN  34          2HB       GLN  34   1.135  -8.311   2.614
  287   2HB   GLN  34          1HB       GLN  34   0.395  -9.159   3.972
  288   1HG   GLN  34          2HG       GLN  34   2.458  -9.124   5.219
  289   2HG   GLN  34          1HG       GLN  34   3.352  -8.521   3.823
  290   1HE2  GLN  34          1HE2      GLN  34   2.676  -6.281   3.019
  291   2HE2  GLN  34          2HE2      GLN  34   2.103  -5.163   4.160
  292    H    ILE  35           H        ILE  35   0.490  -9.587   0.697
  293    HA   ILE  35           HA       ILE  35  -1.877 -11.238   1.005
  294    HB   ILE  35           HB       ILE  35  -2.424 -10.433  -1.328
  295   1HG1  ILE  35          2HG1      ILE  35   0.132  -8.841  -0.976
  296   2HG1  ILE  35          1HG1      ILE  35  -0.057 -10.191  -2.089
  297   1HG2  ILE  35          1HG2      ILE  35  -3.095  -8.344  -0.559
  298   2HG2  ILE  35          2HG2      ILE  35  -1.601  -8.082   0.341
  299   3HG2  ILE  35          3HG2      ILE  35  -2.817  -9.201   0.956
  300   1HD1  ILE  35          1HD1      ILE  35  -2.242  -8.431  -2.542
  301   2HD1  ILE  35          2HD1      ILE  35  -0.890  -8.771  -3.620
  302   3HD1  ILE  35          3HD1      ILE  35  -0.787  -7.437  -2.472
  303    H    GLY  36           H        GLY  36   1.205 -11.750  -0.568
  304   1HA   GLY  36          2HA       GLY  36   2.037 -13.664  -1.662
  305   2HA   GLY  36          1HA       GLY  36   0.599 -14.524  -1.105
  306    H    THR  37           H        THR  37   0.776 -11.605  -3.110
  307    HA   THR  37           HA       THR  37  -0.760 -13.041  -5.233
  308    HB   THR  37           HB       THR  37  -0.564 -10.045  -4.842
  309    HG1  THR  37           HG1      THR  37  -2.526 -11.830  -3.833
  310   1HG2  THR  37          1HG2      THR  37  -2.558  -9.972  -6.180
  311   2HG2  THR  37          2HG2      THR  37  -2.724 -11.727  -6.125
  312   3HG2  THR  37          3HG2      THR  37  -1.398 -10.995  -7.027
  313    H    GLN  38           H        GLN  38   2.315 -11.749  -4.551
  314    HA   GLN  38           HA       GLN  38   4.217 -11.518  -5.879
  315   1HB   GLN  38          2HB       GLN  38   4.290 -13.034  -7.541
  316   2HB   GLN  38          1HB       GLN  38   2.556 -13.272  -7.361
  317   1HG   GLN  38          2HG       GLN  38   2.179 -11.355  -8.932
  318   2HG   GLN  38          1HG       GLN  38   3.923 -11.262  -9.177
  319   1HE2  GLN  38          1HE2      GLN  38   4.942 -12.926 -10.463
  320   2HE2  GLN  38          2HE2      GLN  38   4.043 -14.080 -11.323
  321    HA   PRO  39           HA       PRO  39   3.711  -7.434  -7.425
  322   1HB   PRO  39          2HB       PRO  39   6.183  -7.138  -8.606
  323   2HB   PRO  39          1HB       PRO  39   5.919  -7.081  -6.854
  324   1HG   PRO  39          2HG       PRO  39   7.105  -9.266  -8.504
  325   2HG   PRO  39          1HG       PRO  39   7.390  -8.864  -6.803
  326   1HD   PRO  39          2HD       PRO  39   5.751 -10.962  -7.745
  327   2HD   PRO  39          1HD       PRO  39   5.766 -10.317  -6.090
  328    H    ASN  40           H        ASN  40   2.095  -8.539  -8.987
  329    HA   ASN  40           HA       ASN  40   2.655  -7.690 -11.705
  330   1HB   ASN  40          2HB       ASN  40   3.636 -10.175 -11.206
  331   2HB   ASN  40          1HB       ASN  40   1.985 -10.583 -11.674
  332   1HD2  ASN  40          1HD2      ASN  40   5.018  -9.157 -12.831
  333   2HD2  ASN  40          2HD2      ASN  40   4.583  -9.129 -14.473
  334    H    LYS  41           H        LYS  41   0.596  -9.743  -9.630
  335    HA   LYS  41           HA       LYS  41  -1.796  -8.907 -11.191
  336   1HB   LYS  41          2HB       LYS  41  -1.025 -11.292  -9.736
  337   2HB   LYS  41          1HB       LYS  41  -2.560 -10.672  -9.128
  338   1HG   LYS  41          2HG       LYS  41  -3.581 -11.560 -10.927
  339   2HG   LYS  41          1HG       LYS  41  -2.678 -10.439 -11.944
  340   1HD   LYS  41          2HD       LYS  41  -1.080 -12.736 -11.049
  341   2HD   LYS  41          1HD       LYS  41  -2.461 -13.187 -12.053
  342   1HE   LYS  41          2HE       LYS  41  -1.753 -11.751 -13.833
  343   2HE   LYS  41          1HE       LYS  41  -0.548 -10.970 -12.811
  344   1HZ   LYS  41          1HZ       LYS  41  -0.154 -13.783 -12.877
  345   2HZ   LYS  41          2HZ       LYS  41   0.921 -12.536 -13.293
  346   3HZ   LYS  41          3HZ       LYS  41  -0.164 -13.147 -14.449
  347    H    ILE  42           H        ILE  42  -0.144  -7.405  -8.942
  348    HA   ILE  42           HA       ILE  42  -2.380  -6.900  -7.046
  349    HB   ILE  42           HB       ILE  42   0.501  -5.936  -6.990
  350   1HG1  ILE  42          2HG1      ILE  42  -0.870  -8.045  -5.294
  351   2HG1  ILE  42          1HG1      ILE  42   0.146  -8.417  -6.685
  352   1HG2  ILE  42          1HG2      ILE  42   0.005  -4.757  -5.098
  353   2HG2  ILE  42          2HG2      ILE  42  -1.157  -5.960  -4.536
  354   3HG2  ILE  42          3HG2      ILE  42  -1.635  -4.770  -5.745
  355   1HD1  ILE  42          1HD1      ILE  42   1.658  -6.614  -5.155
  356   2HD1  ILE  42          2HD1      ILE  42   1.919  -8.352  -5.296
  357   3HD1  ILE  42          3HD1      ILE  42   0.935  -7.714  -3.980
  358    H    VAL  43           H        VAL  43  -3.668  -5.176  -7.378
  359    HA   VAL  43           HA       VAL  43  -2.663  -2.955  -9.114
  360    HB   VAL  43           HB       VAL  43  -5.533  -3.832  -8.632
  361   1HG1  VAL  43          1HG1      VAL  43  -4.390  -1.396  -9.631
  362   2HG1  VAL  43          2HG1      VAL  43  -6.094  -1.832  -9.498
  363   3HG1  VAL  43          3HG1      VAL  43  -5.196  -2.225 -10.964
  364   1HG2  VAL  43          1HG2      VAL  43  -3.677  -4.215 -11.004
  365   2HG2  VAL  43          2HG2      VAL  43  -5.410  -4.540 -11.036
  366   3HG2  VAL  43          3HG2      VAL  43  -4.355  -5.484  -9.985
  367    H    LEU  44           H        LEU  44  -1.928  -1.464  -7.640
  368    HA   LEU  44           HA       LEU  44  -3.571  -0.905  -5.226
  369   1HB   LEU  44          2HB       LEU  44  -0.721  -0.563  -5.970
  370   2HB   LEU  44          1HB       LEU  44  -1.408   0.715  -4.967
  371    HG   LEU  44           HG       LEU  44  -2.241  -1.915  -4.039
  372   1HD1  LEU  44          1HD1      LEU  44   0.642  -1.504  -3.482
  373   2HD1  LEU  44          2HD1      LEU  44   0.254  -2.064  -5.107
  374   3HD1  LEU  44          3HD1      LEU  44  -0.259  -3.003  -3.705
  375   1HD2  LEU  44          1HD2      LEU  44  -1.704  -0.987  -1.929
  376   2HD2  LEU  44          2HD2      LEU  44  -2.196   0.410  -2.889
  377   3HD2  LEU  44          3HD2      LEU  44  -0.484   0.086  -2.614
  378    H    GLN  45           H        GLN  45  -4.346   1.207  -4.783
  379    HA   GLN  45           HA       GLN  45  -4.151   3.180  -7.017
  380   1HB   GLN  45          2HB       GLN  45  -6.733   2.675  -5.532
  381   2HB   GLN  45          1HB       GLN  45  -6.496   3.572  -7.029
  382   1HG   GLN  45          2HG       GLN  45  -5.684   1.354  -8.043
  383   2HG   GLN  45          1HG       GLN  45  -6.358   0.581  -6.607
  384   1HE2  GLN  45          1HE2      GLN  45  -7.328   2.879  -9.222
  385   2HE2  GLN  45          2HE2      GLN  45  -8.942   2.357  -9.279
  386    H    LYS  46           H        LYS  46  -4.101   5.334  -6.345
  387    HA   LYS  46           HA       LYS  46  -3.460   5.817  -3.533
  388   1HB   LYS  46          2HB       LYS  46  -2.417   6.999  -5.565
  389   2HB   LYS  46          1HB       LYS  46  -3.915   7.923  -5.659
  390   1HG   LYS  46          2HG       LYS  46  -2.969   9.337  -4.168
  391   2HG   LYS  46          1HG       LYS  46  -3.241   8.075  -2.968
  392   1HD   LYS  46          2HD       LYS  46  -0.795   7.934  -4.699
  393   2HD   LYS  46          1HD       LYS  46  -0.813   9.043  -3.329
  394   1HE   LYS  46          2HE       LYS  46  -1.564   6.122  -3.067
  395   2HE   LYS  46          1HE       LYS  46   0.085   6.704  -2.831
  396   1HZ   LYS  46          1HZ       LYS  46  -2.341   7.390  -1.274
  397   2HZ   LYS  46          2HZ       LYS  46  -0.923   8.323  -1.193
  398   3HZ   LYS  46          3HZ       LYS  46  -0.900   6.693  -0.716
  399    H    GLY  47           H        GLY  47  -5.958   7.101  -5.757
  400   1HA   GLY  47          2HA       GLY  47  -8.067   6.867  -3.784
  401   2HA   GLY  47          1HA       GLY  47  -7.526   8.540  -3.953
  402    H    GLY  48           H        GLY  48  -8.196   5.805  -6.170
  403   1HA   GLY  48          2HA       GLY  48 -10.171   5.963  -7.690
  404   2HA   GLY  48          1HA       GLY  48  -9.827   7.687  -7.832
  405    H    SER  49           H        SER  49  -6.818   6.819  -7.865
  406    HA   SER  49           HA       SER  49  -6.766   6.055 -10.759
  407   1HB   SER  49          2HB       SER  49  -5.792   8.384  -9.565
  408   2HB   SER  49          1HB       SER  49  -4.359   7.383  -9.779
  409    HG   SER  49           HG       SER  49  -4.924   8.694 -11.627
  410    H    VAL  50           H        VAL  50  -5.297   4.452 -11.370
  411    HA   VAL  50           HA       VAL  50  -4.320   2.711  -9.226
  412    HB   VAL  50           HB       VAL  50  -3.557   1.246 -11.081
  413   1HG1  VAL  50          1HG1      VAL  50  -6.360   2.358 -11.112
  414   2HG1  VAL  50          2HG1      VAL  50  -5.787   0.832 -10.438
  415   3HG1  VAL  50          3HG1      VAL  50  -5.890   1.040 -12.187
  416   1HG2  VAL  50          1HG2      VAL  50  -4.790   2.517 -13.303
  417   2HG2  VAL  50          2HG2      VAL  50  -3.076   2.165 -13.082
  418   3HG2  VAL  50          3HG2      VAL  50  -3.732   3.716 -12.557
  419    H    LEU  51           H        LEU  51  -2.113   2.133  -8.878
  420    HA   LEU  51           HA       LEU  51  -0.176   4.261  -9.673
  421   1HB   LEU  51          2HB       LEU  51   0.330   2.145  -7.578
  422   2HB   LEU  51          1HB       LEU  51   1.077   3.733  -7.739
  423    HG   LEU  51           HG       LEU  51  -1.866   3.346  -7.134
  424   1HD1  LEU  51          1HD1      LEU  51   0.351   2.844  -5.425
  425   2HD1  LEU  51          2HD1      LEU  51  -1.355   2.919  -4.987
  426   3HD1  LEU  51          3HD1      LEU  51  -0.361   4.375  -4.912
  427   1HD2  LEU  51          1HD2      LEU  51  -1.975   5.592  -7.300
  428   2HD2  LEU  51          2HD2      LEU  51  -0.323   5.580  -7.915
  429   3HD2  LEU  51          3HD2      LEU  51  -0.620   5.781  -6.188
  430    H    LYS  52           H        LYS  52   1.456   3.757 -11.064
  431    HA   LYS  52           HA       LYS  52   1.735   0.905 -11.888
  432   1HB   LYS  52          2HB       LYS  52   1.578   3.367 -13.327
  433   2HB   LYS  52          1HB       LYS  52   3.174   2.668 -13.612
  434   1HG   LYS  52          2HG       LYS  52   1.756   0.433 -13.882
  435   2HG   LYS  52          1HG       LYS  52   0.477   1.577 -14.294
  436   1HD   LYS  52          2HD       LYS  52   1.922   2.591 -16.007
  437   2HD   LYS  52          1HD       LYS  52   3.213   1.463 -15.589
  438   1HE   LYS  52          2HE       LYS  52   0.775   0.003 -16.051
  439   2HE   LYS  52          1HE       LYS  52   1.102   1.049 -17.431
  440   1HZ   LYS  52          1HZ       LYS  52   3.523   0.104 -17.040
  441   2HZ   LYS  52          2HZ       LYS  52   2.382  -0.720 -17.993
  442   3HZ   LYS  52          3HZ       LYS  52   2.652  -1.195 -16.384
  443    H    ASP  53           H        ASP  53   3.749  -0.099 -11.888
  444    HA   ASP  53           HA       ASP  53   5.662   0.667  -9.938
  445   1HB   ASP  53          2HB       ASP  53   7.094  -1.093 -10.892
  446   2HB   ASP  53          1HB       ASP  53   5.426  -1.649 -10.767
  447    H    HIS  54           H        HIS  54   5.484   1.451 -13.374
  448    HA   HIS  54           HA       HIS  54   8.165   2.370 -13.736
  449   1HB   HIS  54          2HB       HIS  54   5.552   3.027 -15.094
  450   2HB   HIS  54          1HB       HIS  54   7.060   3.803 -15.578
  451    HD1  HIS  54           HD1      HIS  54   5.329   0.465 -15.515
  452    HD2  HIS  54           HD2      HIS  54   8.908   2.095 -16.899
  453    HE1  HIS  54           HE1      HIS  54   6.398  -1.297 -16.987
  454    H    ILE  55           H        ILE  55   5.459   3.825 -12.076
  455    HA   ILE  55           HA       ILE  55   6.897   6.441 -11.966
  456    HB   ILE  55           HB       ILE  55   4.031   5.725 -11.255
  457   1HG1  ILE  55          2HG1      ILE  55   4.030   7.640 -13.254
  458   2HG1  ILE  55          1HG1      ILE  55   5.397   6.621 -13.702
  459   1HG2  ILE  55          1HG2      ILE  55   5.453   8.408 -11.293
  460   2HG2  ILE  55          2HG2      ILE  55   4.903   7.556  -9.849
  461   3HG2  ILE  55          3HG2      ILE  55   3.728   8.169 -11.013
  462   1HD1  ILE  55          1HD1      ILE  55   2.831   5.305 -12.886
  463   2HD1  ILE  55          2HD1      ILE  55   4.075   4.735 -13.999
  464   3HD1  ILE  55          3HD1      ILE  55   2.953   6.000 -14.502
  465    H    SER  56           H        SER  56   7.364   7.378  -9.917
  466    HA   SER  56           HA       SER  56   7.695   5.399  -7.755
  467   1HB   SER  56          2HB       SER  56   9.248   7.516  -8.645
  468   2HB   SER  56          1HB       SER  56   8.527   8.145  -7.165
  469    HG   SER  56           HG       SER  56  10.580   6.759  -7.138
  470    H    LEU  57           H        LEU  57   7.049   5.902  -5.537
  471    HA   LEU  57           HA       LEU  57   4.328   6.677  -5.268
  472   1HB   LEU  57          2HB       LEU  57   6.575   6.452  -3.253
  473   2HB   LEU  57          1HB       LEU  57   4.923   6.849  -2.784
  474    HG   LEU  57           HG       LEU  57   5.469   4.442  -4.509
  475   1HD1  LEU  57          1HD1      LEU  57   6.226   3.169  -2.781
  476   2HD1  LEU  57          2HD1      LEU  57   5.177   3.969  -1.609
  477   3HD1  LEU  57          3HD1      LEU  57   6.705   4.714  -2.077
  478   1HD2  LEU  57          1HD2      LEU  57   3.246   5.576  -2.893
  479   2HD2  LEU  57          2HD2      LEU  57   3.428   3.823  -2.829
  480   3HD2  LEU  57          3HD2      LEU  57   3.186   4.629  -4.379
  481    H    GLU  58           H        GLU  58   7.329   8.529  -4.789
  482    HA   GLU  58           HA       GLU  58   6.241  10.894  -3.684
  483   1HB   GLU  58          2HB       GLU  58   8.739  10.128  -4.356
  484   2HB   GLU  58          1HB       GLU  58   8.398  11.197  -5.717
  485   1HG   GLU  58          2HG       GLU  58   9.317  12.650  -4.104
  486   2HG   GLU  58          1HG       GLU  58   7.579  12.879  -3.914
  487    H    ASP  59           H        ASP  59   6.419   9.833  -7.076
  488    HA   ASP  59           HA       ASP  59   5.508  12.296  -8.251
  489   1HB   ASP  59          2HB       ASP  59   5.318   9.425  -9.211
  490   2HB   ASP  59          1HB       ASP  59   4.875  10.818 -10.196
  491    H    TYR  60           H        TYR  60   3.788   9.340  -7.217
  492    HA   TYR  60           HA       TYR  60   1.155  10.343  -7.905
  493   1HB   TYR  60          2HB       TYR  60   2.179   8.041  -6.245
  494   2HB   TYR  60          1HB       TYR  60   0.461   8.436  -6.274
  495    HD1  TYR  60           HD1      TYR  60   2.925   6.478  -7.793
  496    HD2  TYR  60           HD2      TYR  60  -0.467   8.928  -8.769
  497    HE1  TYR  60           HE1      TYR  60   2.688   5.291  -9.955
  498    HE2  TYR  60           HE2      TYR  60  -0.703   7.742 -10.933
  499    HH   TYR  60           HH       TYR  60  -0.053   5.450 -11.853
  500    H    GLU  61           H        GLU  61   3.299  10.913  -5.266
  501    HA   GLU  61           HA       GLU  61   3.094  12.332  -3.427
  502   1HB   GLU  61          2HB       GLU  61   1.316  13.444  -5.092
  503   2HB   GLU  61          1HB       GLU  61   0.183  12.831  -3.887
  504   1HG   GLU  61          2HG       GLU  61   2.630  14.397  -3.069
  505   2HG   GLU  61          1HG       GLU  61   1.139  15.215  -3.534
  506    H    VAL  62           H        VAL  62   3.326  10.211  -2.353
  507    HA   VAL  62           HA       VAL  62   0.860   9.029  -1.236
  508    HB   VAL  62           HB       VAL  62   2.756   7.593  -2.050
  509   1HG1  VAL  62          1HG1      VAL  62   4.365   7.884   0.358
  510   2HG1  VAL  62          2HG1      VAL  62   4.318   9.385  -0.566
  511   3HG1  VAL  62          3HG1      VAL  62   4.871   7.898  -1.332
  512   1HG2  VAL  62          1HG2      VAL  62   1.127   6.740  -0.405
  513   2HG2  VAL  62          2HG2      VAL  62   2.115   7.379   0.910
  514   3HG2  VAL  62          3HG2      VAL  62   2.730   6.074  -0.102
  515    H    HIS  63           H        HIS  63   0.246   9.229   0.917
  516    HA   HIS  63           HA       HIS  63   1.889  11.096   2.586
  517   1HB   HIS  63          2HB       HIS  63  -0.526  11.725   1.770
  518   2HB   HIS  63          1HB       HIS  63  -1.047  10.622   3.043
  519    HD1  HIS  63           HD1      HIS  63  -1.036  11.515   5.394
  520    HD2  HIS  63           HD2      HIS  63   1.187  13.911   2.807
  521    HE1  HIS  63           HE1      HIS  63  -0.354  13.561   6.721
  522    H    ASP  64           H        ASP  64   1.989  10.636   4.876
  523    HA   ASP  64           HA       ASP  64   2.241   7.831   5.498
  524   1HB   ASP  64          2HB       ASP  64   2.671   8.607   7.821
  525   2HB   ASP  64          1HB       ASP  64   3.627   9.503   6.642
  526    H    GLN  65           H        GLN  65   0.851   6.474   6.625
  527    HA   GLN  65           HA       GLN  65  -1.186   5.651   7.429
  528   1HB   GLN  65          2HB       GLN  65  -0.988   8.400   8.550
  529   2HB   GLN  65          1HB       GLN  65  -2.588   7.661   8.581
  530   1HG   GLN  65          2HG       GLN  65  -1.754   6.841  10.572
  531   2HG   GLN  65          1HG       GLN  65  -1.209   5.566   9.483
  532   1HE2  GLN  65          1HE2      GLN  65   1.085   5.474   8.952
  533   2HE2  GLN  65          2HE2      GLN  65   2.232   6.386   9.807
  534    H    THR  66           H        THR  66  -1.026   6.602   4.674
  535    HA   THR  66           HA       THR  66  -3.633   7.888   4.150
  536    HB   THR  66           HB       THR  66  -1.546   8.452   2.831
  537    HG1  THR  66           HG1      THR  66  -3.163   9.068   1.647
  538   1HG2  THR  66          1HG2      THR  66  -2.038   5.841   1.399
  539   2HG2  THR  66          2HG2      THR  66  -0.865   5.970   2.710
  540   3HG2  THR  66          3HG2      THR  66  -0.660   6.933   1.247
  541    H    ASN  67           H        ASN  67  -5.242   6.862   2.766
  542    HA   ASN  67           HA       ASN  67  -5.352   3.923   3.203
  543   1HB   ASN  67          2HB       ASN  67  -7.240   5.904   3.577
  544   2HB   ASN  67          1HB       ASN  67  -7.712   5.216   2.024
  545   1HD2  ASN  67          1HD2      ASN  67  -7.911   2.741   1.998
  546   2HD2  ASN  67          2HD2      ASN  67  -8.461   1.980   3.411
  547    H    LEU  68           H        LEU  68  -4.865   2.608   1.540
  548    HA   LEU  68           HA       LEU  68  -5.041   3.678  -1.252
  549   1HB   LEU  68          2HB       LEU  68  -3.262   1.584   0.015
  550   2HB   LEU  68          1HB       LEU  68  -3.437   1.730  -1.732
  551    HG   LEU  68           HG       LEU  68  -2.940   4.313  -0.457
  552   1HD1  LEU  68          1HD1      LEU  68  -0.426   3.612  -0.170
  553   2HD1  LEU  68          2HD1      LEU  68  -1.093   1.995   0.053
  554   3HD1  LEU  68          3HD1      LEU  68  -1.564   3.301   1.142
  555   1HD2  LEU  68          1HD2      LEU  68  -2.541   4.353  -2.729
  556   2HD2  LEU  68          2HD2      LEU  68  -2.000   2.674  -2.768
  557   3HD2  LEU  68          3HD2      LEU  68  -0.915   3.938  -2.187
  558    H    GLU  69           H        GLU  69  -5.699   2.085  -2.914
  559    HA   GLU  69           HA       GLU  69  -7.723   0.167  -1.837
  560   1HB   GLU  69          2HB       GLU  69  -7.470   1.387  -4.606
  561   2HB   GLU  69          1HB       GLU  69  -8.747   0.289  -4.087
  562   1HG   GLU  69          2HG       GLU  69  -9.895   2.144  -3.488
  563   2HG   GLU  69          1HG       GLU  69  -8.781   2.247  -2.125
  564    H    LEU  70           H        LEU  70  -7.542  -2.008  -2.335
  565    HA   LEU  70           HA       LEU  70  -5.217  -2.799  -4.037
  566   1HB   LEU  70          2HB       LEU  70  -4.949  -3.339  -1.606
  567   2HB   LEU  70          1HB       LEU  70  -6.395  -4.338  -1.701
  568    HG   LEU  70           HG       LEU  70  -5.331  -5.797  -3.346
  569   1HD1  LEU  70          1HD1      LEU  70  -2.653  -4.562  -3.065
  570   2HD1  LEU  70          2HD1      LEU  70  -3.802  -3.638  -4.029
  571   3HD1  LEU  70          3HD1      LEU  70  -3.411  -5.297  -4.476
  572   1HD2  LEU  70          1HD2      LEU  70  -3.331  -5.305  -1.126
  573   2HD2  LEU  70          2HD2      LEU  70  -3.717  -6.836  -1.912
  574   3HD2  LEU  70          3HD2      LEU  70  -4.895  -6.070  -0.844
  575    H    TYR  71           H        TYR  71  -5.649  -4.114  -5.724
  576    HA   TYR  71           HA       TYR  71  -8.194  -5.646  -5.790
  577   1HB   TYR  71          2HB       TYR  71  -7.330  -3.496  -7.718
  578   2HB   TYR  71          1HB       TYR  71  -8.362  -4.819  -8.261
  579    HD1  TYR  71           HD1      TYR  71  -8.211  -1.692  -6.457
  580    HD2  TYR  71           HD2      TYR  71 -10.550  -5.250  -7.033
  581    HE1  TYR  71           HE1      TYR  71 -10.183  -0.556  -5.472
  582    HE2  TYR  71           HE2      TYR  71 -12.521  -4.114  -6.049
  583    HH   TYR  71           HH       TYR  71 -13.044  -1.180  -5.860
  584    H    TYR  72           H        TYR  72  -8.067  -7.500  -7.169
  585    HA   TYR  72           HA       TYR  72  -5.273  -8.203  -7.941
  586   1HB   TYR  72          2HB       TYR  72  -7.672 -10.010  -7.505
  587   2HB   TYR  72          1HB       TYR  72  -6.027 -10.544  -7.851
  588    HD1  TYR  72           HD1      TYR  72  -8.219 -10.392  -5.265
  589    HD2  TYR  72           HD2      TYR  72  -4.279  -8.988  -6.246
  590    HE1  TYR  72           HE1      TYR  72  -7.662 -10.266  -2.851
  591    HE2  TYR  72           HE2      TYR  72  -3.722  -8.863  -3.834
  592    HH   TYR  72           HH       TYR  72  -5.751  -8.694  -1.483
  593    H    LEU  73           HN       LEU  73  -4.764  -8.264 -10.042
  594    HA   LEU  73           HA       LEU  73  -4.941  -8.557 -12.357
  595   1HB   LEU  73          2HB       LEU  73  -6.755 -10.344 -11.505
  596   2HB   LEU  73          1HB       LEU  73  -7.852  -9.203 -12.282
  597    HG   LEU  73           HG       LEU  73  -5.567  -9.588 -13.979
  598   1HD1  LEU  73          1HD1      LEU  73  -5.676 -11.954 -14.417
  599   2HD1  LEU  73          2HD1      LEU  73  -7.032 -12.155 -13.307
  600   3HD1  LEU  73          3HD1      LEU  73  -5.431 -11.761 -12.682
  601   1HD2  LEU  73          1HD2      LEU  73  -7.236  -9.416 -15.490
  602   2HD2  LEU  73          2HD2      LEU  73  -8.368  -9.315 -14.142
  603   3HD2  LEU  73          3HD2      LEU  73  -8.009 -10.878 -14.876
  Start of MODEL   14
    1    H    MET   1           1H       MET   1  10.829   6.111   6.096
    2    HA   MET   1           HA       MET   1   9.579   4.963   4.504
    3   1HB   MET   1          2HB       MET   1   8.925   2.618   4.779
    4   2HB   MET   1          1HB       MET   1  10.679   2.766   4.875
    5   1HG   MET   1          2HG       MET   1   9.718   3.118   7.514
    6   2HG   MET   1          1HG       MET   1   8.843   1.739   6.851
    7   1HE   MET   1          1HE       MET   1  11.429  -0.597   5.537
    8   2HE   MET   1          2HE       MET   1   9.871   0.192   5.312
    9   3HE   MET   1          3HE       MET   1  10.142  -0.818   6.729
   10    H    ILE   2           H        ILE   2   7.225   4.559   4.596
   11    HA   ILE   2           HA       ILE   2   6.056   5.481   7.193
   12    HB   ILE   2           HB       ILE   2   4.218   6.451   5.853
   13   1HG1  ILE   2          2HG1      ILE   2   5.866   5.880   3.384
   14   2HG1  ILE   2          1HG1      ILE   2   4.633   4.746   3.935
   15   1HG2  ILE   2          1HG2      ILE   2   6.849   7.389   4.697
   16   2HG2  ILE   2          2HG2      ILE   2   6.419   7.679   6.381
   17   3HG2  ILE   2          3HG2      ILE   2   5.426   8.352   5.089
   18   1HD1  ILE   2          1HD1      ILE   2   4.324   7.403   2.681
   19   2HD1  ILE   2          2HD1      ILE   2   3.257   7.101   4.050
   20   3HD1  ILE   2          3HD1      ILE   2   3.236   6.017   2.662
   21    H    GLU   3           H        GLU   3   3.831   4.674   7.617
   22    HA   GLU   3           HA       GLU   3   3.512   1.871   6.619
   23   1HB   GLU   3          2HB       GLU   3   3.732   2.698   9.205
   24   2HB   GLU   3          1HB       GLU   3   1.982   2.761   9.002
   25   1HG   GLU   3          2HG       GLU   3   3.664   0.351   8.259
   26   2HG   GLU   3          1HG       GLU   3   2.861   0.534   9.819
   27    H    VAL   4           H        VAL   4   1.889   1.644   5.158
   28    HA   VAL   4           HA       VAL   4  -0.467   3.485   5.370
   29    HB   VAL   4           HB       VAL   4  -0.682   3.317   2.910
   30   1HG1  VAL   4          1HG1      VAL   4   0.616   5.176   3.823
   31   2HG1  VAL   4          2HG1      VAL   4   1.366   4.613   2.330
   32   3HG1  VAL   4          3HG1      VAL   4   2.061   4.167   3.887
   33   1HG2  VAL   4          1HG2      VAL   4   0.430   1.050   2.769
   34   2HG2  VAL   4          2HG2      VAL   4   1.978   1.866   2.997
   35   3HG2  VAL   4          3HG2      VAL   4   0.998   2.216   1.574
   36    H    VAL   5           H        VAL   5  -2.515   2.542   4.551
   37    HA   VAL   5           HA       VAL   5  -2.581  -0.430   4.913
   38    HB   VAL   5           HB       VAL   5  -4.944  -0.090   5.718
   39   1HG1  VAL   5          1HG1      VAL   5  -4.296   0.586   7.950
   40   2HG1  VAL   5          2HG1      VAL   5  -2.872   1.422   7.331
   41   3HG1  VAL   5          3HG1      VAL   5  -2.967  -0.336   7.249
   42   1HG2  VAL   5          1HG2      VAL   5  -5.400   2.097   4.731
   43   2HG2  VAL   5          2HG2      VAL   5  -4.091   2.824   5.662
   44   3HG2  VAL   5          3HG2      VAL   5  -5.529   2.221   6.485
   45    H    VAL   6           H        VAL   6  -3.328  -1.567   3.199
   46    HA   VAL   6           HA       VAL   6  -4.756  -0.069   1.037
   47    HB   VAL   6           HB       VAL   6  -3.329  -2.706   0.653
   48   1HG1  VAL   6          1HG1      VAL   6  -3.409  -2.146  -1.647
   49   2HG1  VAL   6          2HG1      VAL   6  -3.747  -0.448  -1.309
   50   3HG1  VAL   6          3HG1      VAL   6  -4.989  -1.669  -1.027
   51   1HG2  VAL   6          1HG2      VAL   6  -2.042  -0.341   1.452
   52   2HG2  VAL   6          2HG2      VAL   6  -1.849  -0.382  -0.299
   53   3HG2  VAL   6          3HG2      VAL   6  -1.286  -1.735   0.680
   54    H    ASN   7           H        ASN   7  -6.855  -0.626   0.746
   55    HA   ASN   7           HA       ASN   7  -7.835  -3.153   1.995
   56   1HB   ASN   7          2HB       ASN   7  -9.221  -0.578   1.213
   57   2HB   ASN   7          1HB       ASN   7 -10.110  -2.032   1.665
   58   1HD2  ASN   7          1HD2      ASN   7  -7.758   0.368   2.906
   59   2HD2  ASN   7          2HD2      ASN   7  -8.065   0.056   4.545
   60    H    ASP   8           H        ASP   8  -8.156  -4.818   0.619
   61    HA   ASP   8           HA       ASP   8  -8.211  -4.440  -2.267
   62   1HB   ASP   8          2HB       ASP   8  -7.227  -6.460  -1.122
   63   2HB   ASP   8          1HB       ASP   8  -8.866  -6.951  -0.694
   64    H    ARG   9           H        ARG   9 -10.602  -5.797   0.039
   65    HA   ARG   9           HA       ARG   9 -12.767  -4.687  -1.695
   66   1HB   ARG   9          2HB       ARG   9 -12.173  -7.461  -1.213
   67   2HB   ARG   9          1HB       ARG   9 -13.726  -7.071  -0.474
   68   1HG   ARG   9          2HG       ARG   9 -14.659  -7.193  -2.519
   69   2HG   ARG   9          1HG       ARG   9 -13.734  -5.761  -2.969
   70   1HD   ARG   9          2HD       ARG   9 -11.860  -7.798  -3.148
   71   2HD   ARG   9          1HD       ARG   9 -13.333  -8.556  -3.750
   72    HE   ARG   9           HE       ARG   9 -13.477  -6.552  -5.337
   73   1HH1  ARG   9          1HH2      ARG   9 -11.352  -8.520  -6.162
   74   2HH1  ARG   9          2HH2      ARG   9  -9.986  -7.486  -6.423
   75   1HH2  ARG   9          2HH1      ARG   9 -11.354  -4.798  -4.694
   76   2HH2  ARG   9          1HH1      ARG   9  -9.987  -5.375  -5.588
   77    H    LEU  10           H        LEU  10 -14.974  -5.156  -0.268
   78    HA   LEU  10           HA       LEU  10 -14.725  -3.414   2.015
   79   1HB   LEU  10          2HB       LEU  10 -16.831  -4.428   0.450
   80   2HB   LEU  10          1HB       LEU  10 -17.142  -5.022   2.081
   81    HG   LEU  10           HG       LEU  10 -16.298  -2.342   2.380
   82   1HD1  LEU  10          1HD1      LEU  10 -18.657  -1.948   0.753
   83   2HD1  LEU  10          2HD1      LEU  10 -17.377  -2.690  -0.206
   84   3HD1  LEU  10          3HD1      LEU  10 -17.082  -1.166   0.627
   85   1HD2  LEU  10          1HD2      LEU  10 -19.095  -3.520   2.434
   86   2HD2  LEU  10          2HD2      LEU  10 -18.574  -2.045   3.247
   87   3HD2  LEU  10          3HD2      LEU  10 -17.936  -3.606   3.762
   88    H    GLY  11           H        GLY  11 -13.649  -4.075   3.813
   89   1HA   GLY  11          2HA       GLY  11 -13.906  -5.360   5.925
   90   2HA   GLY  11          1HA       GLY  11 -14.327  -6.763   4.942
   91    H    LYS  12           H        LYS  12 -12.281  -6.435   2.946
   92    HA   LYS  12           HA       LYS  12 -10.054  -7.672   4.354
   93   1HB   LYS  12          2HB       LYS  12 -11.013  -7.594   1.691
   94   2HB   LYS  12          1HB       LYS  12  -9.389  -6.909   1.651
   95   1HG   LYS  12          2HG       LYS  12  -8.945  -9.017   3.287
   96   2HG   LYS  12          1HG       LYS  12 -10.262  -9.673   2.314
   97   1HD   LYS  12          2HD       LYS  12  -8.474 -10.250   0.969
   98   2HD   LYS  12          1HD       LYS  12  -8.818  -8.644   0.320
   99   1HE   LYS  12          2HE       LYS  12  -7.122  -7.668   1.826
  100   2HE   LYS  12          1HE       LYS  12  -6.779  -9.271   2.478
  101   1HZ   LYS  12          1HZ       LYS  12  -5.249  -8.474   0.682
  102   2HZ   LYS  12          2HZ       LYS  12  -6.546  -8.621  -0.403
  103   3HZ   LYS  12          3HZ       LYS  12  -5.954  -9.991   0.408
  104    H    LYS  13           H        LYS  13  -8.276  -6.680   5.142
  105    HA   LYS  13           HA       LYS  13  -7.444  -4.046   4.042
  106   1HB   LYS  13          2HB       LYS  13  -8.919  -3.737   6.104
  107   2HB   LYS  13          1HB       LYS  13  -7.640  -4.531   7.026
  108   1HG   LYS  13          2HG       LYS  13  -6.037  -2.810   6.032
  109   2HG   LYS  13          1HG       LYS  13  -7.465  -1.943   5.468
  110   1HD   LYS  13          2HD       LYS  13  -7.944  -2.587   8.184
  111   2HD   LYS  13          1HD       LYS  13  -6.294  -1.968   8.099
  112   1HE   LYS  13          2HE       LYS  13  -7.540  -0.183   6.486
  113   2HE   LYS  13          1HE       LYS  13  -8.864  -0.577   7.583
  114   1HZ   LYS  13          1HZ       LYS  13  -7.132   1.283   8.154
  115   2HZ   LYS  13          2HZ       LYS  13  -6.227  -0.032   8.736
  116   3HZ   LYS  13          3HZ       LYS  13  -7.774   0.283   9.363
  117    H    VAL  14           H        VAL  14  -5.234  -3.918   3.853
  118    HA   VAL  14           HA       VAL  14  -3.585  -5.902   5.372
  119    HB   VAL  14           HB       VAL  14  -3.056  -5.057   2.505
  120   1HG1  VAL  14          1HG1      VAL  14  -1.623  -7.173   2.637
  121   2HG1  VAL  14          2HG1      VAL  14  -1.878  -7.121   4.381
  122   3HG1  VAL  14          3HG1      VAL  14  -1.046  -5.794   3.571
  123   1HG2  VAL  14          1HG2      VAL  14  -4.084  -7.765   3.357
  124   2HG2  VAL  14          2HG2      VAL  14  -4.082  -7.044   1.748
  125   3HG2  VAL  14          3HG2      VAL  14  -5.206  -6.459   2.973
  126    H    ARG  15           H        ARG  15  -1.503  -5.161   5.999
  127    HA   ARG  15           HA       ARG  15  -1.137  -2.198   5.798
  128   1HB   ARG  15          2HB       ARG  15  -0.335  -4.217   7.897
  129   2HB   ARG  15          1HB       ARG  15   0.418  -2.625   7.816
  130   1HG   ARG  15          2HG       ARG  15  -1.319  -1.871   9.045
  131   2HG   ARG  15          1HG       ARG  15  -2.307  -2.080   7.601
  132   1HD   ARG  15          2HD       ARG  15  -2.056  -4.650   8.755
  133   2HD   ARG  15          1HD       ARG  15  -2.408  -3.546  10.084
  134    HE   ARG  15           HE       ARG  15  -4.115  -3.314   7.675
  135   1HH1  ARG  15          1HH2      ARG  15  -4.745  -5.914   8.966
  136   2HH1  ARG  15          2HH2      ARG  15  -5.945  -5.475  10.138
  137   1HH2  ARG  15          2HH1      ARG  15  -5.196  -2.079  10.025
  138   2HH2  ARG  15          1HH1      ARG  15  -6.202  -3.297  10.738
  139    H    VAL  16           H        VAL  16   0.777  -1.394   4.974
  140    HA   VAL  16           HA       VAL  16   3.053  -3.222   4.490
  141    HB   VAL  16           HB       VAL  16   1.636  -3.478   2.489
  142   1HG1  VAL  16          1HG1      VAL  16   0.970  -1.659   1.124
  143   2HG1  VAL  16          2HG1      VAL  16   2.068  -0.542   1.934
  144   3HG1  VAL  16          3HG1      VAL  16   0.630  -1.127   2.771
  145   1HG2  VAL  16          1HG2      VAL  16   3.895  -1.712   1.597
  146   2HG2  VAL  16          2HG2      VAL  16   3.362  -3.260   0.941
  147   3HG2  VAL  16          3HG2      VAL  16   4.259  -3.207   2.458
  148    H    LYS  17           H        LYS  17   4.967  -2.140   4.772
  149    HA   LYS  17           HA       LYS  17   4.825   0.827   5.041
  150   1HB   LYS  17          2HB       LYS  17   6.989   0.580   6.298
  151   2HB   LYS  17          1HB       LYS  17   5.631  -0.247   7.054
  152   1HG   LYS  17          2HG       LYS  17   6.958  -2.000   5.158
  153   2HG   LYS  17          1HG       LYS  17   8.109  -1.377   6.339
  154   1HD   LYS  17          2HD       LYS  17   7.029  -2.369   8.131
  155   2HD   LYS  17          1HD       LYS  17   5.457  -2.342   7.331
  156   1HE   LYS  17          2HE       LYS  17   7.069  -3.977   5.710
  157   2HE   LYS  17          1HE       LYS  17   7.453  -4.450   7.364
  158   1HZ   LYS  17          1HZ       LYS  17   5.398  -5.253   7.707
  159   2HZ   LYS  17          2HZ       LYS  17   5.365  -5.382   6.015
  160   3HZ   LYS  17          3HZ       LYS  17   4.635  -4.055   6.780
  161    H    CYS  18           H        CYS  18   5.887   2.116   3.616
  162    HA   CYS  18           HA       CYS  18   8.206   1.093   2.097
  163   1HB   CYS  18          2HB       CYS  18   5.524   1.400   0.948
  164   2HB   CYS  18          1HB       CYS  18   6.752   2.318   0.078
  165    HG   CYS  18           HG       CYS  18   7.149  -0.734   0.642
  166    H    LEU  19           H        LEU  19   9.469   2.822   1.169
  167    HA   LEU  19           HA       LEU  19   9.205   5.359   2.603
  168   1HB   LEU  19          2HB       LEU  19  11.277   3.946   1.155
  169   2HB   LEU  19          1HB       LEU  19  11.176   5.613   0.595
  170    HG   LEU  19           HG       LEU  19  11.015   5.268   3.529
  171   1HD1  LEU  19          1HD1      LEU  19  12.691   3.564   3.039
  172   2HD1  LEU  19          2HD1      LEU  19  13.486   4.982   3.723
  173   3HD1  LEU  19          3HD1      LEU  19  13.559   4.682   1.987
  174   1HD2  LEU  19          1HD2      LEU  19  11.585   7.442   3.376
  175   2HD2  LEU  19          2HD2      LEU  19  11.624   7.283   1.620
  176   3HD2  LEU  19          3HD2      LEU  19  13.089   7.014   2.561
  177    H    ALA  20           H        ALA  20   8.800   7.403   1.648
  178    HA   ALA  20           HA       ALA  20   6.907   7.461  -0.509
  179   1HB   ALA  20          1HB       ALA  20   8.489   9.575   0.946
  180   2HB   ALA  20          2HB       ALA  20   6.753   9.273   0.989
  181   3HB   ALA  20          3HB       ALA  20   7.485  10.000  -0.440
  182    H    GLU  21           H        GLU  21  10.388   7.520  -0.457
  183    HA   GLU  21           HA       GLU  21  10.667   8.666  -3.140
  184   1HB   GLU  21          2HB       GLU  21  13.064   8.095  -2.869
  185   2HB   GLU  21          1HB       GLU  21  12.454   8.999  -1.485
  186   1HG   GLU  21          2HG       GLU  21  13.264   7.335  -0.189
  187   2HG   GLU  21          1HG       GLU  21  11.956   6.335  -0.814
  188    H    ASP  22           H        ASP  22  10.176   5.505  -1.763
  189    HA   ASP  22           HA       ASP  22  11.305   3.943  -3.894
  190   1HB   ASP  22          2HB       ASP  22   9.439   3.444  -1.624
  191   2HB   ASP  22          1HB       ASP  22   9.400   2.290  -2.956
  192    H    SER  23           H        SER  23  10.066   2.727  -5.532
  193    HA   SER  23           HA       SER  23   7.938   4.419  -6.705
  194   1HB   SER  23          2HB       SER  23   9.983   2.617  -7.733
  195   2HB   SER  23          1HB       SER  23   8.403   2.270  -8.428
  196    HG   SER  23           HG       SER  23   9.031   3.887  -9.675
  197    H    VAL  24           H        VAL  24   6.140   3.112  -7.871
  198    HA   VAL  24           HA       VAL  24   4.580   1.726  -5.916
  199    HB   VAL  24           HB       VAL  24   4.307   1.720  -8.938
  200   1HG1  VAL  24          1HG1      VAL  24   2.898  -0.008  -8.285
  201   2HG1  VAL  24          2HG1      VAL  24   1.814   1.373  -8.130
  202   3HG1  VAL  24          3HG1      VAL  24   2.594   0.699  -6.699
  203   1HG2  VAL  24          1HG2      VAL  24   4.194   3.982  -8.124
  204   2HG2  VAL  24          2HG2      VAL  24   3.186   3.503  -6.759
  205   3HG2  VAL  24          3HG2      VAL  24   2.532   3.458  -8.397
  206    H    GLY  25           H        GLY  25   6.874   0.597  -8.353
  207   1HA   GLY  25          2HA       GLY  25   6.196  -2.171  -8.387
  208   2HA   GLY  25          1HA       GLY  25   7.810  -1.529  -8.705
  209    H    ASP  26           H        ASP  26   8.410  -0.331  -6.267
  210    HA   ASP  26           HA       ASP  26   9.203  -2.577  -4.644
  211   1HB   ASP  26          2HB       ASP  26  10.324  -0.267  -4.797
  212   2HB   ASP  26          1HB       ASP  26   9.060   0.297  -3.705
  213    H    PHE  27           H        PHE  27   6.528  -0.263  -4.500
  214    HA   PHE  27           HA       PHE  27   5.515  -0.904  -1.908
  215   1HB   PHE  27          2HB       PHE  27   4.816   1.010  -3.472
  216   2HB   PHE  27          1HB       PHE  27   3.824  -0.177  -4.314
  217    HD1  PHE  27           HD1      PHE  27   4.048   2.039  -1.483
  218    HD2  PHE  27           HD2      PHE  27   2.094  -1.496  -2.948
  219    HE1  PHE  27           HE1      PHE  27   2.258   2.326   0.204
  220    HE2  PHE  27           HE2      PHE  27   0.306  -1.209  -1.260
  221    HZ   PHE  27           HZ       PHE  27   0.386   0.703   0.316
  222    H    LYS  28           H        LYS  28   4.867  -2.322  -5.120
  223    HA   LYS  28           HA       LYS  28   2.939  -4.257  -4.156
  224   1HB   LYS  28          2HB       LYS  28   4.583  -4.095  -6.698
  225   2HB   LYS  28          1HB       LYS  28   3.389  -5.359  -6.398
  226   1HG   LYS  28          2HG       LYS  28   1.714  -3.481  -5.949
  227   2HG   LYS  28          1HG       LYS  28   2.916  -2.379  -6.621
  228   1HD   LYS  28          2HD       LYS  28   2.766  -4.516  -8.448
  229   2HD   LYS  28          1HD       LYS  28   1.096  -4.156  -8.010
  230   1HE   LYS  28          2HE       LYS  28   2.828  -1.803  -8.530
  231   2HE   LYS  28          1HE       LYS  28   2.452  -2.802  -9.932
  232   1HZ   LYS  28          1HZ       LYS  28   0.851  -0.877  -8.927
  233   2HZ   LYS  28          2HZ       LYS  28   0.183  -2.274  -8.231
  234   3HZ   LYS  28          3HZ       LYS  28   0.331  -2.151  -9.918
  235    H    LYS  29           H        LYS  29   6.451  -4.218  -4.476
  236    HA   LYS  29           HA       LYS  29   6.890  -7.051  -4.227
  237   1HB   LYS  29          2HB       LYS  29   8.587  -4.608  -3.744
  238   2HB   LYS  29          1HB       LYS  29   9.190  -6.214  -3.330
  239   1HG   LYS  29          2HG       LYS  29   8.788  -6.970  -5.640
  240   2HG   LYS  29          1HG       LYS  29   8.165  -5.374  -6.060
  241   1HD   LYS  29          2HD       LYS  29  10.513  -4.603  -5.047
  242   2HD   LYS  29          1HD       LYS  29  10.975  -6.234  -5.536
  243   1HE   LYS  29          2HE       LYS  29  10.599  -5.814  -7.793
  244   2HE   LYS  29          1HE       LYS  29   9.450  -4.515  -7.465
  245   1HZ   LYS  29          1HZ       LYS  29  11.482  -3.570  -8.250
  246   2HZ   LYS  29          2HZ       LYS  29  12.397  -4.423  -7.102
  247   3HZ   LYS  29          3HZ       LYS  29  11.334  -3.196  -6.601
  248    H    VAL  30           H        VAL  30   6.644  -4.427  -1.823
  249    HA   VAL  30           HA       VAL  30   7.169  -6.224   0.429
  250    HB   VAL  30           HB       VAL  30   5.990  -3.423   0.442
  251   1HG1  VAL  30          1HG1      VAL  30   5.611  -4.512   2.554
  252   2HG1  VAL  30          2HG1      VAL  30   6.999  -3.447   2.774
  253   3HG1  VAL  30          3HG1      VAL  30   7.242  -5.181   2.569
  254   1HG2  VAL  30          1HG2      VAL  30   8.108  -2.551   0.327
  255   2HG2  VAL  30          2HG2      VAL  30   8.443  -4.049  -0.539
  256   3HG2  VAL  30          3HG2      VAL  30   8.828  -3.917   1.176
  257    H    LEU  31           H        LEU  31   4.317  -4.770  -1.116
  258    HA   LEU  31           HA       LEU  31   2.396  -5.700   0.814
  259   1HB   LEU  31          2HB       LEU  31   2.000  -3.892  -0.897
  260   2HB   LEU  31          1HB       LEU  31   1.929  -5.149  -2.131
  261    HG   LEU  31           HG       LEU  31   0.089  -6.244  -0.788
  262   1HD1  LEU  31          1HD1      LEU  31   0.589  -5.203   1.382
  263   2HD1  LEU  31          2HD1      LEU  31  -1.057  -4.814   0.886
  264   3HD1  LEU  31          3HD1      LEU  31   0.221  -3.611   0.718
  265   1HD2  LEU  31          1HD2      LEU  31  -0.502  -4.922  -2.723
  266   2HD2  LEU  31          2HD2      LEU  31  -0.289  -3.420  -1.825
  267   3HD2  LEU  31          3HD2      LEU  31  -1.626  -4.501  -1.431
  268    H    SER  32           H        SER  32   3.694  -7.117  -2.188
  269    HA   SER  32           HA       SER  32   1.948  -9.336  -2.421
  270   1HB   SER  32          2HB       SER  32   3.793 -10.424  -3.675
  271   2HB   SER  32          1HB       SER  32   3.541  -8.759  -4.183
  272    HG   SER  32           HG       SER  32   5.743  -9.179  -3.849
  273    H    LEU  33           H        LEU  33   4.545  -8.787  -0.129
  274    HA   LEU  33           HA       LEU  33   4.899 -11.572   0.611
  275   1HB   LEU  33          2HB       LEU  33   5.610  -8.961   1.966
  276   2HB   LEU  33          1HB       LEU  33   5.971 -10.531   2.684
  277    HG   LEU  33           HG       LEU  33   6.785 -10.052  -0.157
  278   1HD1  LEU  33          1HD1      LEU  33   8.583  -8.699   0.335
  279   2HD1  LEU  33          2HD1      LEU  33   8.717  -9.298   1.987
  280   3HD1  LEU  33          3HD1      LEU  33   7.470  -8.122   1.574
  281   1HD2  LEU  33          1HD2      LEU  33   7.992 -11.538   2.200
  282   2HD2  LEU  33          2HD2      LEU  33   8.657 -11.523   0.567
  283   3HD2  LEU  33          3HD2      LEU  33   7.086 -12.263   0.872
  284    H    GLN  34           H        GLN  34   2.775  -8.952   1.681
  285    HA   GLN  34           HA       GLN  34   1.772 -10.456   3.989
  286   1HB   GLN  34          2HB       GLN  34   1.036  -7.827   2.701
  287   2HB   GLN  34          1HB       GLN  34   0.063  -8.523   3.997
  288   1HG   GLN  34          2HG       GLN  34   1.513  -7.339   5.319
  289   2HG   GLN  34          1HG       GLN  34   2.515  -8.774   5.106
  290   1HE2  GLN  34          1HE2      GLN  34   1.832  -5.691   3.318
  291   2HE2  GLN  34          2HE2      GLN  34   3.448  -5.434   2.869
  292    H    ILE  35           H        ILE  35   0.458  -9.511   0.783
  293    HA   ILE  35           HA       ILE  35  -1.940 -11.164   1.284
  294    HB   ILE  35           HB       ILE  35  -2.643 -10.349  -1.005
  295   1HG1  ILE  35          2HG1      ILE  35  -0.131  -8.664  -0.712
  296   2HG1  ILE  35          1HG1      ILE  35  -0.396  -9.907  -1.931
  297   1HG2  ILE  35          1HG2      ILE  35  -1.905  -7.989   0.696
  298   2HG2  ILE  35          2HG2      ILE  35  -2.994  -9.215   1.346
  299   3HG2  ILE  35          3HG2      ILE  35  -3.425  -8.342  -0.124
  300   1HD1  ILE  35          1HD1      ILE  35  -1.923  -7.310  -1.611
  301   2HD1  ILE  35          2HD1      ILE  35  -2.402  -8.597  -2.717
  302   3HD1  ILE  35          3HD1      ILE  35  -0.865  -7.764  -2.947
  303    H    GLY  36           H        GLY  36   0.825 -11.166  -0.994
  304   1HA   GLY  36          2HA       GLY  36   1.884 -13.197  -1.754
  305   2HA   GLY  36          1HA       GLY  36   0.429 -14.091  -1.319
  306    H    THR  37           H        THR  37   1.228 -11.346  -3.490
  307    HA   THR  37           HA       THR  37  -0.186 -12.806  -5.684
  308    HB   THR  37           HB       THR  37  -0.614 -10.140  -6.294
  309    HG1  THR  37           HG1      THR  37   0.014  -9.564  -4.172
  310   1HG2  THR  37          1HG2      THR  37  -2.888 -10.667  -6.060
  311   2HG2  THR  37          2HG2      THR  37  -2.595 -11.739  -4.691
  312   3HG2  THR  37          3HG2      THR  37  -2.132 -12.238  -6.318
  313    H    GLN  38           H        GLN  38   2.735 -11.648  -4.715
  314    HA   GLN  38           HA       GLN  38   4.726 -11.172  -5.830
  315   1HB   GLN  38          2HB       GLN  38   3.036 -12.346  -8.017
  316   2HB   GLN  38          1HB       GLN  38   4.582 -11.606  -8.429
  317   1HG   GLN  38          2HG       GLN  38   5.633 -13.478  -7.761
  318   2HG   GLN  38          1HG       GLN  38   5.019 -13.219  -6.128
  319   1HE2  GLN  38          1HE2      GLN  38   3.059 -14.375  -5.488
  320   2HE2  GLN  38          2HE2      GLN  38   2.457 -15.668  -6.408
  321    HA   PRO  39           HA       PRO  39   4.303  -7.027  -7.259
  322   1HB   PRO  39          2HB       PRO  39   6.798  -6.686  -8.374
  323   2HB   PRO  39          1HB       PRO  39   6.502  -6.721  -6.627
  324   1HG   PRO  39          2HG       PRO  39   7.712  -8.818  -8.368
  325   2HG   PRO  39          1HG       PRO  39   7.961  -8.513  -6.642
  326   1HD   PRO  39          2HD       PRO  39   6.330 -10.544  -7.743
  327   2HD   PRO  39          1HD       PRO  39   6.327 -10.007  -6.050
  328    H    ASN  40           H        ASN  40   2.771  -8.280  -8.932
  329    HA   ASN  40           HA       ASN  40   3.241  -7.144 -11.556
  330   1HB   ASN  40          2HB       ASN  40   4.461  -9.614 -11.165
  331   2HB   ASN  40          1HB       ASN  40   2.932 -10.035 -11.939
  332   1HD2  ASN  40          1HD2      ASN  40   2.840  -9.759 -14.191
  333   2HD2  ASN  40          2HD2      ASN  40   3.978  -8.885 -15.103
  334    H    LYS  41           H        LYS  41   1.472  -9.603  -9.667
  335    HA   LYS  41           HA       LYS  41  -0.970  -9.153 -11.280
  336   1HB   LYS  41          2HB       LYS  41   0.011 -11.418 -10.192
  337   2HB   LYS  41          1HB       LYS  41  -1.021 -10.892  -8.863
  338   1HG   LYS  41          2HG       LYS  41  -2.864 -10.576 -10.620
  339   2HG   LYS  41          1HG       LYS  41  -1.821 -11.481 -11.718
  340   1HD   LYS  41          2HD       LYS  41  -2.967 -13.264 -10.841
  341   2HD   LYS  41          1HD       LYS  41  -1.731 -13.132  -9.590
  342   1HE   LYS  41          2HE       LYS  41  -3.513 -13.007  -8.176
  343   2HE   LYS  41          1HE       LYS  41  -3.561 -11.320  -8.686
  344   1HZ   LYS  41          1HZ       LYS  41  -4.962 -13.380 -10.259
  345   2HZ   LYS  41          2HZ       LYS  41  -5.281 -11.714 -10.145
  346   3HZ   LYS  41          3HZ       LYS  41  -5.682 -12.747  -8.859
  347    H    ILE  42           H        ILE  42   0.418  -7.400  -8.936
  348    HA   ILE  42           HA       ILE  42  -2.016  -6.998  -7.278
  349    HB   ILE  42           HB       ILE  42   0.785  -5.845  -7.029
  350   1HG1  ILE  42          2HG1      ILE  42  -0.628  -7.870  -5.271
  351   2HG1  ILE  42          1HG1      ILE  42   0.475  -8.324  -6.570
  352   1HG2  ILE  42          1HG2      ILE  42  -1.759  -5.125  -5.795
  353   2HG2  ILE  42          2HG2      ILE  42  -0.203  -4.300  -5.710
  354   3HG2  ILE  42          3HG2      ILE  42  -0.565  -5.613  -4.592
  355   1HD1  ILE  42          1HD1      ILE  42   2.193  -8.043  -5.146
  356   2HD1  ILE  42          2HD1      ILE  42   1.107  -7.435  -3.899
  357   3HD1  ILE  42          3HD1      ILE  42   1.807  -6.324  -5.076
  358    H    VAL  43           H        VAL  43  -3.258  -5.172  -7.452
  359    HA   VAL  43           HA       VAL  43  -2.351  -3.047  -9.360
  360    HB   VAL  43           HB       VAL  43  -5.190  -4.031  -8.904
  361   1HG1  VAL  43          1HG1      VAL  43  -5.645  -1.947  -9.695
  362   2HG1  VAL  43          2HG1      VAL  43  -5.162  -2.618 -11.253
  363   3HG1  VAL  43          3HG1      VAL  43  -4.001  -1.709 -10.287
  364   1HG2  VAL  43          1HG2      VAL  43  -3.041  -4.863 -10.742
  365   2HG2  VAL  43          2HG2      VAL  43  -4.560  -4.477 -11.549
  366   3HG2  VAL  43          3HG2      VAL  43  -4.521  -5.708 -10.288
  367    H    LEU  44           H        LEU  44  -1.976  -1.211  -8.216
  368    HA   LEU  44           HA       LEU  44  -3.436  -0.773  -5.660
  369   1HB   LEU  44          2HB       LEU  44  -0.904   0.344  -6.855
  370   2HB   LEU  44          1HB       LEU  44  -1.709   1.173  -5.521
  371    HG   LEU  44           HG       LEU  44  -1.316  -1.762  -5.219
  372   1HD1  LEU  44          1HD1      LEU  44   0.970   0.182  -4.799
  373   2HD1  LEU  44          2HD1      LEU  44   0.838  -0.870  -6.209
  374   3HD1  LEU  44          3HD1      LEU  44   1.003  -1.570  -4.599
  375   1HD2  LEU  44          1HD2      LEU  44  -0.798   0.548  -3.323
  376   2HD2  LEU  44          2HD2      LEU  44  -1.042  -1.147  -2.904
  377   3HD2  LEU  44          3HD2      LEU  44  -2.386  -0.193  -3.531
  378    H    GLN  45           H        GLN  45  -4.934   0.847  -5.438
  379    HA   GLN  45           HA       GLN  45  -5.247   2.760  -7.720
  380   1HB   GLN  45          2HB       GLN  45  -7.586   1.903  -6.030
  381   2HB   GLN  45          1HB       GLN  45  -7.582   2.557  -7.665
  382   1HG   GLN  45          2HG       GLN  45  -6.099   0.241  -7.948
  383   2HG   GLN  45          1HG       GLN  45  -7.323  -0.228  -6.768
  384   1HE2  GLN  45          1HE2      GLN  45  -6.853   0.946 -10.092
  385   2HE2  GLN  45          2HE2      GLN  45  -8.430   0.600 -10.618
  386    H    LYS  46           H        LYS  46  -5.062   4.854  -7.112
  387    HA   LYS  46           HA       LYS  46  -5.502   5.534  -4.227
  388   1HB   LYS  46          2HB       LYS  46  -3.098   5.627  -5.259
  389   2HB   LYS  46          1HB       LYS  46  -3.671   7.103  -6.035
  390   1HG   LYS  46          2HG       LYS  46  -4.090   8.164  -3.946
  391   2HG   LYS  46          1HG       LYS  46  -3.960   6.642  -3.060
  392   1HD   LYS  46          2HD       LYS  46  -1.596   6.514  -3.456
  393   2HD   LYS  46          1HD       LYS  46  -1.654   7.840  -4.617
  394   1HE   LYS  46          2HE       LYS  46  -0.848   8.849  -2.635
  395   2HE   LYS  46          1HE       LYS  46  -2.560   9.265  -2.664
  396   1HZ   LYS  46          1HZ       LYS  46  -1.397   8.211  -0.551
  397   2HZ   LYS  46          2HZ       LYS  46  -1.820   6.768  -1.341
  398   3HZ   LYS  46          3HZ       LYS  46  -3.019   7.902  -0.935
  399    H    GLY  47           H        GLY  47  -7.597   6.332  -4.373
  400   1HA   GLY  47          2HA       GLY  47  -9.278   7.909  -4.809
  401   2HA   GLY  47          1HA       GLY  47  -8.003   8.988  -5.370
  402    H    GLY  48           H        GLY  48  -9.091   5.814  -6.618
  403   1HA   GLY  48          2HA       GLY  48  -9.915   5.205  -8.729
  404   2HA   GLY  48          1HA       GLY  48 -10.417   6.882  -8.941
  405    H    SER  49           H        SER  49  -7.169   5.452  -8.483
  406    HA   SER  49           HA       SER  49  -6.411   6.280 -11.231
  407   1HB   SER  49          2HB       SER  49  -5.879   7.976  -9.133
  408   2HB   SER  49          1HB       SER  49  -4.406   7.013  -9.191
  409    HG   SER  49           HG       SER  49  -4.153   8.693 -10.616
  410    H    VAL  50           H        VAL  50  -5.112   4.727 -12.130
  411    HA   VAL  50           HA       VAL  50  -4.312   2.433 -10.497
  412    HB   VAL  50           HB       VAL  50  -3.744   3.028 -13.421
  413   1HG1  VAL  50          1HG1      VAL  50  -3.458   0.563 -11.694
  414   2HG1  VAL  50          2HG1      VAL  50  -2.239   1.324 -12.715
  415   3HG1  VAL  50          3HG1      VAL  50  -3.591   0.461 -13.450
  416   1HG2  VAL  50          1HG2      VAL  50  -6.129   2.952 -13.090
  417   2HG2  VAL  50          2HG2      VAL  50  -5.995   1.552 -12.026
  418   3HG2  VAL  50          3HG2      VAL  50  -5.656   1.387 -13.749
  419    H    LEU  51           H        LEU  51  -2.444   2.360  -9.384
  420    HA   LEU  51           HA       LEU  51  -0.289   4.291  -9.949
  421   1HB   LEU  51          2HB       LEU  51  -0.272   2.078  -7.876
  422   2HB   LEU  51          1HB       LEU  51   0.695   3.552  -7.886
  423    HG   LEU  51           HG       LEU  51  -2.319   3.397  -7.556
  424   1HD1  LEU  51          1HD1      LEU  51  -1.962   3.428  -5.327
  425   2HD1  LEU  51          2HD1      LEU  51  -0.760   4.710  -5.469
  426   3HD1  LEU  51          3HD1      LEU  51  -0.284   3.026  -5.683
  427   1HD2  LEU  51          1HD2      LEU  51  -0.520   5.575  -8.317
  428   2HD2  LEU  51          2HD2      LEU  51  -1.436   5.946  -6.858
  429   3HD2  LEU  51          3HD2      LEU  51  -2.281   5.519  -8.345
  430    H    LYS  52           H        LYS  52   1.385   3.816 -11.272
  431    HA   LYS  52           HA       LYS  52   1.854   0.958 -11.993
  432   1HB   LYS  52          2HB       LYS  52   1.775   3.415 -13.507
  433   2HB   LYS  52          1HB       LYS  52   3.354   2.650 -13.692
  434   1HG   LYS  52          2HG       LYS  52   1.074   0.782 -13.819
  435   2HG   LYS  52          1HG       LYS  52   1.126   1.960 -15.130
  436   1HD   LYS  52          2HD       LYS  52   3.785   1.081 -14.794
  437   2HD   LYS  52          1HD       LYS  52   2.790  -0.373 -14.721
  438   1HE   LYS  52          2HE       LYS  52   2.261  -0.250 -16.919
  439   2HE   LYS  52          1HE       LYS  52   1.947   1.484 -16.827
  440   1HZ   LYS  52          1HZ       LYS  52   3.803   1.260 -18.210
  441   2HZ   LYS  52          2HZ       LYS  52   4.544   0.114 -17.197
  442   3HZ   LYS  52          3HZ       LYS  52   4.443   1.740 -16.715
  443    H    ASP  53           H        ASP  53   3.978   0.120 -11.989
  444    HA   ASP  53           HA       ASP  53   5.685   0.975  -9.861
  445   1HB   ASP  53          2HB       ASP  53   7.262  -0.707 -10.700
  446   2HB   ASP  53          1HB       ASP  53   5.621  -1.351 -10.726
  447    H    HIS  54           H        HIS  54   5.603   1.821 -13.268
  448    HA   HIS  54           HA       HIS  54   8.265   2.865 -13.498
  449   1HB   HIS  54          2HB       HIS  54   5.697   3.261 -15.012
  450   2HB   HIS  54          1HB       HIS  54   7.100   4.264 -15.380
  451    HD1  HIS  54           HD1      HIS  54   6.070   0.610 -15.235
  452    HD2  HIS  54           HD2      HIS  54   9.074   2.984 -16.886
  453    HE1  HIS  54           HE1      HIS  54   7.432  -0.901 -16.742
  454    H    ILE  55           H        ILE  55   5.540   4.075 -11.767
  455    HA   ILE  55           HA       ILE  55   6.704   6.830 -11.757
  456    HB   ILE  55           HB       ILE  55   3.937   5.861 -10.965
  457   1HG1  ILE  55          2HG1      ILE  55   3.535   7.649 -12.934
  458   2HG1  ILE  55          1HG1      ILE  55   5.136   7.086 -13.411
  459   1HG2  ILE  55          1HG2      ILE  55   3.497   8.380 -10.881
  460   2HG2  ILE  55          2HG2      ILE  55   5.249   8.589 -10.877
  461   3HG2  ILE  55          3HG2      ILE  55   4.461   7.726  -9.557
  462   1HD1  ILE  55          1HD1      ILE  55   4.407   4.885 -13.742
  463   2HD1  ILE  55          2HD1      ILE  55   3.027   5.823 -14.311
  464   3HD1  ILE  55          3HD1      ILE  55   2.995   5.093 -12.706
  465    H    SER  56           H        SER  56   7.316   7.762  -9.800
  466    HA   SER  56           HA       SER  56   7.898   5.918  -7.613
  467   1HB   SER  56          2HB       SER  56   9.137   8.161  -8.522
  468   2HB   SER  56          1HB       SER  56   8.239   8.824  -7.159
  469    HG   SER  56           HG       SER  56   9.725   7.961  -5.962
  470    H    LEU  57           H        LEU  57   7.131   6.145  -5.433
  471    HA   LEU  57           HA       LEU  57   4.331   6.639  -5.156
  472   1HB   LEU  57          2HB       LEU  57   6.541   6.425  -3.092
  473   2HB   LEU  57          1HB       LEU  57   4.833   6.548  -2.671
  474    HG   LEU  57           HG       LEU  57   5.853   4.434  -4.575
  475   1HD1  LEU  57          1HD1      LEU  57   6.033   4.580  -1.616
  476   2HD1  LEU  57          2HD1      LEU  57   7.007   3.656  -2.760
  477   3HD1  LEU  57          3HD1      LEU  57   5.418   3.066  -2.277
  478   1HD2  LEU  57          1HD2      LEU  57   3.371   5.091  -4.356
  479   2HD2  LEU  57          2HD2      LEU  57   3.447   4.386  -2.743
  480   3HD2  LEU  57          3HD2      LEU  57   3.758   3.382  -4.160
  481    H    GLU  58           H        GLU  58   7.162   8.693  -4.578
  482    HA   GLU  58           HA       GLU  58   5.868  10.829  -3.202
  483   1HB   GLU  58          2HB       GLU  58   8.441  10.321  -4.304
  484   2HB   GLU  58          1HB       GLU  58   7.890  11.855  -4.978
  485   1HG   GLU  58          2HG       GLU  58   7.728  12.874  -2.886
  486   2HG   GLU  58          1HG       GLU  58   7.544  11.337  -2.039
  487    H    ASP  59           H        ASP  59   6.093  10.058  -6.661
  488    HA   ASP  59           HA       ASP  59   5.034  12.543  -7.653
  489   1HB   ASP  59          2HB       ASP  59   4.998   9.737  -8.805
  490   2HB   ASP  59          1HB       ASP  59   4.420  11.153  -9.681
  491    H    TYR  60           H        TYR  60   3.490   9.443  -6.780
  492    HA   TYR  60           HA       TYR  60   0.802  10.333  -7.387
  493   1HB   TYR  60          2HB       TYR  60   1.924   8.029  -5.777
  494   2HB   TYR  60          1HB       TYR  60   0.188   8.314  -5.914
  495    HD1  TYR  60           HD1      TYR  60   2.727   6.410  -7.244
  496    HD2  TYR  60           HD2      TYR  60  -0.448   9.002  -8.533
  497    HE1  TYR  60           HE1      TYR  60   2.719   5.299  -9.460
  498    HE2  TYR  60           HE2      TYR  60  -0.455   7.891 -10.748
  499    HH   TYR  60           HH       TYR  60   0.253   5.996 -11.867
  500    H    GLU  61           H        GLU  61   2.947  10.909  -4.747
  501    HA   GLU  61           HA       GLU  61   2.696  12.244  -2.850
  502   1HB   GLU  61          2HB       GLU  61   0.763  13.246  -4.490
  503   2HB   GLU  61          1HB       GLU  61  -0.227  12.660  -3.155
  504   1HG   GLU  61          2HG       GLU  61   2.248  14.233  -2.521
  505   2HG   GLU  61          1HG       GLU  61   0.821  15.098  -3.092
  506    H    VAL  62           H        VAL  62   2.933   9.832  -2.152
  507    HA   VAL  62           HA       VAL  62   0.523   8.740  -0.835
  508    HB   VAL  62           HB       VAL  62   3.386   7.719  -0.953
  509   1HG1  VAL  62          1HG1      VAL  62   2.362   6.850   1.042
  510   2HG1  VAL  62          2HG1      VAL  62   2.280   5.570  -0.170
  511   3HG1  VAL  62          3HG1      VAL  62   0.848   6.531   0.197
  512   1HG2  VAL  62          1HG2      VAL  62   2.819   6.813  -2.940
  513   2HG2  VAL  62          2HG2      VAL  62   1.301   7.707  -2.875
  514   3HG2  VAL  62          3HG2      VAL  62   1.387   6.068  -2.229
  515    H    HIS  63           H        HIS  63   0.000   9.495   1.159
  516    HA   HIS  63           HA       HIS  63   2.097  10.753   2.838
  517   1HB   HIS  63          2HB       HIS  63  -0.560  11.401   2.367
  518   2HB   HIS  63          1HB       HIS  63  -0.610  10.650   3.962
  519    HD1  HIS  63           HD1      HIS  63  -0.717  12.645   5.491
  520    HD2  HIS  63           HD2      HIS  63   2.280  13.035   2.622
  521    HE1  HIS  63           HE1      HIS  63   0.599  14.728   6.101
  522    H    ASP  64           H        ASP  64   2.096  10.230   5.208
  523    HA   ASP  64           HA       ASP  64   2.376   7.380   5.607
  524   1HB   ASP  64          2HB       ASP  64   2.913   7.962   7.934
  525   2HB   ASP  64          1HB       ASP  64   3.767   9.032   6.824
  526    H    GLN  65           H        GLN  65   0.976   5.936   6.554
  527    HA   GLN  65           HA       GLN  65  -1.033   5.053   7.360
  528   1HB   GLN  65          2HB       GLN  65  -0.454   7.284   8.971
  529   2HB   GLN  65          1HB       GLN  65  -2.153   7.463   8.539
  530   1HG   GLN  65          2HG       GLN  65  -1.959   6.129  10.582
  531   2HG   GLN  65          1HG       GLN  65  -2.563   5.120   9.268
  532   1HE2  GLN  65          1HE2      GLN  65   0.661   6.098  10.612
  533   2HE2  GLN  65          2HE2      GLN  65   1.343   4.551  10.470
  534    H    THR  66           H        THR  66  -0.930   6.248   4.701
  535    HA   THR  66           HA       THR  66  -3.527   7.599   4.337
  536    HB   THR  66           HB       THR  66  -1.426   8.168   3.009
  537    HG1  THR  66           HG1      THR  66  -2.829   8.940   1.685
  538   1HG2  THR  66          1HG2      THR  66  -0.778   6.748   1.181
  539   2HG2  THR  66          2HG2      THR  66  -2.133   5.658   1.472
  540   3HG2  THR  66          3HG2      THR  66  -0.806   5.744   2.630
  541    H    ASN  67           H        ASN  67  -5.195   6.684   2.907
  542    HA   ASN  67           HA       ASN  67  -5.351   3.729   3.198
  543   1HB   ASN  67          2HB       ASN  67  -7.207   5.615   3.786
  544   2HB   ASN  67          1HB       ASN  67  -7.668   5.247   2.124
  545   1HD2  ASN  67          1HD2      ASN  67  -7.525   3.953   5.396
  546   2HD2  ASN  67          2HD2      ASN  67  -8.324   2.495   5.054
  547    H    LEU  68           H        LEU  68  -4.903   2.490   1.472
  548    HA   LEU  68           HA       LEU  68  -5.168   3.681  -1.263
  549   1HB   LEU  68          2HB       LEU  68  -3.161   1.794  -0.056
  550   2HB   LEU  68          1HB       LEU  68  -3.485   1.727  -1.789
  551    HG   LEU  68           HG       LEU  68  -3.091   4.452  -0.710
  552   1HD1  LEU  68          1HD1      LEU  68  -0.618   4.190  -0.632
  553   2HD1  LEU  68          2HD1      LEU  68  -0.816   2.448  -0.818
  554   3HD1  LEU  68          3HD1      LEU  68  -1.422   3.253   0.628
  555   1HD2  LEU  68          1HD2      LEU  68  -2.017   2.867  -3.065
  556   2HD2  LEU  68          2HD2      LEU  68  -1.664   4.571  -2.777
  557   3HD2  LEU  68          3HD2      LEU  68  -3.320   4.055  -3.099
  558    H    GLU  69           H        GLU  69  -5.715   2.046  -2.973
  559    HA   GLU  69           HA       GLU  69  -7.638   0.028  -1.892
  560   1HB   GLU  69          2HB       GLU  69  -8.030   2.041  -3.762
  561   2HB   GLU  69          1HB       GLU  69  -7.800   0.605  -4.761
  562   1HG   GLU  69          2HG       GLU  69  -9.528   0.160  -2.417
  563   2HG   GLU  69          1HG       GLU  69 -10.177   1.322  -3.575
  564    H    LEU  70           H        LEU  70  -7.428  -2.120  -2.496
  565    HA   LEU  70           HA       LEU  70  -5.043  -2.791  -4.170
  566   1HB   LEU  70          2HB       LEU  70  -4.831  -3.557  -1.847
  567   2HB   LEU  70          1HB       LEU  70  -6.375  -4.397  -1.966
  568    HG   LEU  70           HG       LEU  70  -5.423  -5.789  -3.818
  569   1HD1  LEU  70          1HD1      LEU  70  -3.541  -3.871  -4.075
  570   2HD1  LEU  70          2HD1      LEU  70  -3.280  -5.534  -4.598
  571   3HD1  LEU  70          3HD1      LEU  70  -2.665  -4.993  -3.038
  572   1HD2  LEU  70          1HD2      LEU  70  -3.586  -6.006  -1.443
  573   2HD2  LEU  70          2HD2      LEU  70  -4.371  -7.293  -2.360
  574   3HD2  LEU  70          3HD2      LEU  70  -5.314  -6.299  -1.250
  575    H    TYR  71           H        TYR  71  -5.302  -4.182  -5.884
  576    HA   TYR  71           HA       TYR  71  -7.921  -5.522  -6.290
  577   1HB   TYR  71          2HB       TYR  71  -7.074  -3.153  -7.682
  578   2HB   TYR  71          1HB       TYR  71  -7.109  -4.499  -8.821
  579    HD1  TYR  71           HD1      TYR  71  -9.197  -5.809  -9.159
  580    HD2  TYR  71           HD2      TYR  71  -9.096  -2.298  -6.684
  581    HE1  TYR  71           HE1      TYR  71 -11.673  -5.689  -9.228
  582    HE2  TYR  71           HE2      TYR  71 -11.573  -2.178  -6.754
  583    HH   TYR  71           HH       TYR  71 -13.413  -3.323  -8.788
  584    H    TYR  72           H        TYR  72  -7.771  -7.247  -7.936
  585    HA   TYR  72           HA       TYR  72  -4.975  -8.279  -8.150
  586   1HB   TYR  72          2HB       TYR  72  -7.619  -9.760  -8.266
  587   2HB   TYR  72          1HB       TYR  72  -6.029 -10.509  -8.410
  588    HD1  TYR  72           HD1      TYR  72  -8.557 -10.229  -6.180
  589    HD2  TYR  72           HD2      TYR  72  -4.370  -9.295  -6.432
  590    HE1  TYR  72           HE1      TYR  72  -8.385 -10.327  -3.708
  591    HE2  TYR  72           HE2      TYR  72  -4.198  -9.393  -3.961
  592    HH   TYR  72           HH       TYR  72  -6.957 -10.366  -1.952
  593    H    LEU  73           HN       LEU  73  -4.096  -8.661 -10.134
  594    HA   LEU  73           HA       LEU  73  -5.478  -7.661 -12.500
  595   1HB   LEU  73          2HB       LEU  73  -2.841  -7.870 -11.792
  596   2HB   LEU  73          1HB       LEU  73  -3.006  -9.237 -12.893
  597    HG   LEU  73           HG       LEU  73  -4.380  -6.927 -13.964
  598   1HD1  LEU  73          1HD1      LEU  73  -1.410  -6.555 -13.491
  599   2HD1  LEU  73          2HD1      LEU  73  -2.659  -5.743 -12.547
  600   3HD1  LEU  73          3HD1      LEU  73  -2.515  -5.427 -14.275
  601   1HD2  LEU  73          1HD2      LEU  73  -3.740  -8.145 -15.752
  602   2HD2  LEU  73          2HD2      LEU  73  -2.610  -9.079 -14.770
  603   3HD2  LEU  73          3HD2      LEU  73  -2.097  -7.558 -15.499
  Start of MODEL   15
    1    H    MET   1           1H       MET   1  11.468   5.186   7.143
    2    HA   MET   1           HA       MET   1   9.677   4.630   5.117
    3   1HB   MET   1          2HB       MET   1  10.712   3.424   7.569
    4   2HB   MET   1          1HB       MET   1   9.054   2.924   7.231
    5   1HG   MET   1          2HG       MET   1   9.627   2.034   5.123
    6   2HG   MET   1          1HG       MET   1  11.151   2.916   5.062
    7   1HE   MET   1          1HE       MET   1  11.699   0.067   4.272
    8   2HE   MET   1          2HE       MET   1  10.020  -0.133   4.761
    9   3HE   MET   1          3HE       MET   1  11.258  -1.195   5.429
   10    H    ILE   2           H        ILE   2   7.387   4.271   5.131
   11    HA   ILE   2           HA       ILE   2   5.894   5.710   7.286
   12    HB   ILE   2           HB       ILE   2   4.301   6.492   5.540
   13   1HG1  ILE   2          2HG1      ILE   2   6.326   5.883   3.421
   14   2HG1  ILE   2          1HG1      ILE   2   5.260   4.578   3.940
   15   1HG2  ILE   2          1HG2      ILE   2   6.731   7.617   4.406
   16   2HG2  ILE   2          2HG2      ILE   2   6.847   7.489   6.162
   17   3HG2  ILE   2          3HG2      ILE   2   5.517   8.386   5.430
   18   1HD1  ILE   2          1HD1      ILE   2   3.294   5.994   3.481
   19   2HD1  ILE   2          2HD1      ILE   2   4.286   5.808   2.035
   20   3HD1  ILE   2          3HD1      ILE   2   4.356   7.304   2.966
   21    H    GLU   3           H        GLU   3   3.645   5.000   7.517
   22    HA   GLU   3           HA       GLU   3   3.350   2.104   6.863
   23   1HB   GLU   3          2HB       GLU   3   3.216   2.763   9.260
   24   2HB   GLU   3          1HB       GLU   3   1.850   3.809   8.880
   25   1HG   GLU   3          2HG       GLU   3   1.025   1.677   9.745
   26   2HG   GLU   3          1HG       GLU   3   0.599   1.822   8.041
   27    H    VAL   4           H        VAL   4   2.003   1.609   5.211
   28    HA   VAL   4           HA       VAL   4  -0.115   3.592   4.466
   29    HB   VAL   4           HB       VAL   4   0.968   1.460   2.628
   30   1HG1  VAL   4          1HG1      VAL   4  -1.168   2.820   2.176
   31   2HG1  VAL   4          2HG1      VAL   4   0.050   2.803   0.903
   32   3HG1  VAL   4          3HG1      VAL   4  -0.096   4.203   1.964
   33   1HG2  VAL   4          1HG2      VAL   4   2.987   2.536   2.913
   34   2HG2  VAL   4          2HG2      VAL   4   2.229   4.019   3.492
   35   3HG2  VAL   4          3HG2      VAL   4   2.264   3.663   1.765
   36    H    VAL   5           H        VAL   5  -2.164   2.733   3.777
   37    HA   VAL   5           HA       VAL   5  -2.703  -0.104   4.525
   38    HB   VAL   5           HB       VAL   5  -4.909   0.688   5.504
   39   1HG1  VAL   5          1HG1      VAL   5  -2.712   0.113   6.767
   40   2HG1  VAL   5          2HG1      VAL   5  -3.980   0.967   7.644
   41   3HG1  VAL   5          3HG1      VAL   5  -2.584   1.852   7.027
   42   1HG2  VAL   5          1HG2      VAL   5  -3.976   3.184   4.507
   43   2HG2  VAL   5          2HG2      VAL   5  -3.973   3.305   6.266
   44   3HG2  VAL   5          3HG2      VAL   5  -5.454   2.873   5.413
   45    H    VAL   6           H        VAL   6  -3.798  -1.134   2.929
   46    HA   VAL   6           HA       VAL   6  -5.196   0.555   0.891
   47    HB   VAL   6           HB       VAL   6  -4.717  -1.267  -0.732
   48   1HG1  VAL   6          1HG1      VAL   6  -3.117   0.734  -0.083
   49   2HG1  VAL   6          2HG1      VAL   6  -2.572  -0.522  -1.195
   50   3HG1  VAL   6          3HG1      VAL   6  -2.076  -0.568   0.498
   51   1HG2  VAL   6          1HG2      VAL   6  -4.502  -3.224   0.579
   52   2HG2  VAL   6          2HG2      VAL   6  -3.365  -2.463   1.688
   53   3HG2  VAL   6          3HG2      VAL   6  -2.851  -2.888   0.058
   54    H    ASN   7           H        ASN   7  -7.313   0.083   0.446
   55    HA   ASN   7           HA       ASN   7  -8.546  -2.122   2.026
   56   1HB   ASN   7          2HB       ASN   7  -9.562   0.468   0.892
   57   2HB   ASN   7          1HB       ASN   7 -10.698  -0.846   1.201
   58   1HD2  ASN   7          1HD2      ASN   7  -8.239   1.216   2.811
   59   2HD2  ASN   7          2HD2      ASN   7  -8.869   1.013   4.374
   60    H    ASP   8           H        ASP   8  -9.209  -3.925   0.991
   61    HA   ASP   8           HA       ASP   8  -9.018  -4.093  -1.931
   62   1HB   ASP   8          2HB       ASP   8  -9.623  -6.076   0.263
   63   2HB   ASP   8          1HB       ASP   8  -9.807  -6.504  -1.437
   64    H    ARG   9           H        ARG   9 -10.902  -5.348  -3.058
   65    HA   ARG   9           HA       ARG   9 -13.228  -3.714  -3.049
   66   1HB   ARG   9          2HB       ARG   9 -14.228  -5.413  -4.514
   67   2HB   ARG   9          1HB       ARG   9 -12.555  -5.113  -4.978
   68   1HG   ARG   9          2HG       ARG   9 -12.055  -7.113  -3.324
   69   2HG   ARG   9          1HG       ARG   9 -13.745  -7.513  -3.626
   70   1HD   ARG   9          2HD       ARG   9 -12.783  -8.670  -5.374
   71   2HD   ARG   9          1HD       ARG   9 -13.001  -7.107  -6.159
   72    HE   ARG   9           HE       ARG   9 -10.654  -6.830  -6.153
   73   1HH1  ARG   9          1HH2      ARG   9 -10.692  -9.911  -6.117
   74   2HH1  ARG   9          2HH2      ARG   9  -9.506 -10.227  -4.895
   75   1HH2  ARG   9          2HH1      ARG   9  -9.512  -6.976  -3.674
   76   2HH2  ARG   9          1HH1      ARG   9  -8.836  -8.561  -3.508
   77    H    LEU  10           H        LEU  10 -12.544  -6.753  -1.339
   78    HA   LEU  10           HA       LEU  10 -15.290  -6.935  -0.316
   79   1HB   LEU  10          2HB       LEU  10 -12.848  -8.601  -0.245
   80   2HB   LEU  10          1HB       LEU  10 -13.844  -8.687   1.208
   81    HG   LEU  10           HG       LEU  10 -15.744  -8.785  -0.777
   82   1HD1  LEU  10          1HD1      LEU  10 -14.982 -10.358  -2.463
   83   2HD1  LEU  10          2HD1      LEU  10 -13.391 -10.457  -1.706
   84   3HD1  LEU  10          3HD1      LEU  10 -13.911  -8.956  -2.471
   85   1HD2  LEU  10          1HD2      LEU  10 -15.661 -11.312  -0.307
   86   2HD2  LEU  10          2HD2      LEU  10 -15.837 -10.254   1.094
   87   3HD2  LEU  10          3HD2      LEU  10 -14.266 -10.963   0.716
   88    H    GLY  11           H        GLY  11 -15.068  -7.525   2.333
   89   1HA   GLY  11          2HA       GLY  11 -14.450  -4.890   3.481
   90   2HA   GLY  11          1HA       GLY  11 -15.240  -6.225   4.317
   91    H    LYS  12           H        LYS  12 -12.041  -5.474   2.874
   92    HA   LYS  12           HA       LYS  12 -10.724  -6.229   5.393
   93   1HB   LYS  12          2HB       LYS  12 -11.099  -8.352   3.965
   94   2HB   LYS  12          1HB       LYS  12  -9.877  -7.680   2.886
   95   1HG   LYS  12          2HG       LYS  12  -8.336  -7.482   4.858
   96   2HG   LYS  12          1HG       LYS  12  -9.537  -8.336   5.827
   97   1HD   LYS  12          2HD       LYS  12  -9.431 -10.225   4.176
   98   2HD   LYS  12          1HD       LYS  12  -8.111  -9.384   3.367
   99   1HE   LYS  12          2HE       LYS  12  -7.393  -9.383   6.073
  100   2HE   LYS  12          1HE       LYS  12  -8.052 -10.994   5.790
  101   1HZ   LYS  12          1HZ       LYS  12  -6.344 -10.114   3.664
  102   2HZ   LYS  12          2HZ       LYS  12  -6.305 -11.555   4.565
  103   3HZ   LYS  12          3HZ       LYS  12  -5.537 -10.158   5.153
  104    H    LYS  13           H        LYS  13  -8.548  -5.452   5.498
  105    HA   LYS  13           HA       LYS  13  -7.588  -3.899   3.145
  106   1HB   LYS  13          2HB       LYS  13  -7.050  -1.973   4.544
  107   2HB   LYS  13          1HB       LYS  13  -8.767  -2.340   4.683
  108   1HG   LYS  13          2HG       LYS  13  -8.547  -2.566   6.909
  109   2HG   LYS  13          1HG       LYS  13  -7.369  -3.856   6.672
  110   1HD   LYS  13          2HD       LYS  13  -5.696  -1.905   6.196
  111   2HD   LYS  13          1HD       LYS  13  -6.889  -0.906   7.026
  112   1HE   LYS  13          2HE       LYS  13  -6.195  -1.662   9.029
  113   2HE   LYS  13          1HE       LYS  13  -6.453  -3.332   8.527
  114   1HZ   LYS  13          1HZ       LYS  13  -4.260  -3.056   7.285
  115   2HZ   LYS  13          2HZ       LYS  13  -4.190  -3.205   8.975
  116   3HZ   LYS  13          3HZ       LYS  13  -4.020  -1.680   8.247
  117    H    VAL  14           H        VAL  14  -5.280  -3.553   3.130
  118    HA   VAL  14           HA       VAL  14  -3.785  -5.353   5.001
  119    HB   VAL  14           HB       VAL  14  -3.107  -4.765   2.099
  120   1HG1  VAL  14          1HG1      VAL  14  -1.127  -5.316   3.381
  121   2HG1  VAL  14          2HG1      VAL  14  -1.577  -6.744   2.448
  122   3HG1  VAL  14          3HG1      VAL  14  -1.956  -6.661   4.168
  123   1HG2  VAL  14          1HG2      VAL  14  -5.183  -6.108   2.338
  124   2HG2  VAL  14          2HG2      VAL  14  -4.314  -7.250   3.363
  125   3HG2  VAL  14          3HG2      VAL  14  -3.866  -7.068   1.667
  126    H    ARG  15           H        ARG  15  -1.933  -4.524   5.929
  127    HA   ARG  15           HA       ARG  15  -1.316  -1.656   5.350
  128   1HB   ARG  15          2HB       ARG  15  -0.315  -1.625   7.636
  129   2HB   ARG  15          1HB       ARG  15  -2.027  -2.050   7.663
  130   1HG   ARG  15          2HG       ARG  15  -1.608  -4.292   8.152
  131   2HG   ARG  15          1HG       ARG  15   0.018  -4.240   7.474
  132   1HD   ARG  15          2HD       ARG  15   0.771  -2.839   9.359
  133   2HD   ARG  15          1HD       ARG  15  -0.858  -2.879  10.039
  134    HE   ARG  15           HE       ARG  15   1.085  -5.096  10.059
  135   1HH1  ARG  15          1HH2      ARG  15  -1.466  -6.307   9.175
  136   2HH1  ARG  15          2HH2      ARG  15  -2.267  -6.661  10.669
  137   1HH2  ARG  15          2HH1      ARG  15  -0.240  -4.561  12.557
  138   2HH2  ARG  15          1HH1      ARG  15  -1.570  -5.669  12.589
  139    H    VAL  16           H        VAL  16   0.857  -1.055   4.977
  140    HA   VAL  16           HA       VAL  16   2.956  -3.134   5.062
  141    HB   VAL  16           HB       VAL  16   1.889  -3.419   2.845
  142   1HG1  VAL  16          1HG1      VAL  16   1.615  -1.691   1.308
  143   2HG1  VAL  16          2HG1      VAL  16   2.873  -0.697   2.042
  144   3HG1  VAL  16          3HG1      VAL  16   1.300  -0.850   2.825
  145   1HG2  VAL  16          1HG2      VAL  16   4.339  -3.776   3.130
  146   2HG2  VAL  16          2HG2      VAL  16   4.618  -2.097   2.665
  147   3HG2  VAL  16          3HG2      VAL  16   3.931  -3.232   1.503
  148    H    LYS  17           H        LYS  17   4.965  -2.231   5.435
  149    HA   LYS  17           HA       LYS  17   5.050   0.729   5.709
  150   1HB   LYS  17          2HB       LYS  17   5.754  -1.066   7.531
  151   2HB   LYS  17          1HB       LYS  17   7.265  -1.075   6.624
  152   1HG   LYS  17          2HG       LYS  17   7.865   0.977   7.385
  153   2HG   LYS  17          1HG       LYS  17   6.246   1.631   7.144
  154   1HD   LYS  17          2HD       LYS  17   5.476   0.751   9.235
  155   2HD   LYS  17          1HD       LYS  17   6.928  -0.230   9.430
  156   1HE   LYS  17          2HE       LYS  17   7.440   1.573  10.805
  157   2HE   LYS  17          1HE       LYS  17   8.154   2.107   9.284
  158   1HZ   LYS  17          1HZ       LYS  17   6.404   3.545  10.710
  159   2HZ   LYS  17          2HZ       LYS  17   5.351   2.769   9.627
  160   3HZ   LYS  17          3HZ       LYS  17   6.632   3.718   9.038
  161    H    CYS  18           H        CYS  18   6.097   1.906   4.177
  162    HA   CYS  18           HA       CYS  18   8.466   0.796   2.802
  163   1HB   CYS  18          2HB       CYS  18   5.816   1.044   1.547
  164   2HB   CYS  18          1HB       CYS  18   7.097   1.860   0.652
  165    HG   CYS  18           HG       CYS  18   6.701  -1.003   0.459
  166    H    LEU  19           H        LEU  19   9.468   2.546   1.372
  167    HA   LEU  19           HA       LEU  19   9.327   5.115   2.816
  168   1HB   LEU  19          2HB       LEU  19  11.324   3.680   1.282
  169   2HB   LEU  19          1HB       LEU  19  11.151   5.327   0.678
  170    HG   LEU  19           HG       LEU  19  11.294   4.870   3.641
  171   1HD1  LEU  19          1HD1      LEU  19  13.856   5.348   3.228
  172   2HD1  LEU  19          2HD1      LEU  19  13.537   4.610   1.659
  173   3HD1  LEU  19          3HD1      LEU  19  13.244   3.697   3.140
  174   1HD2  LEU  19          1HD2      LEU  19  12.412   7.107   3.493
  175   2HD2  LEU  19          2HD2      LEU  19  10.781   7.108   2.823
  176   3HD2  LEU  19          3HD2      LEU  19  12.176   7.070   1.745
  177    H    ALA  20           H        ALA  20   8.590   7.025   1.914
  178    HA   ALA  20           HA       ALA  20   6.696   6.887  -0.243
  179   1HB   ALA  20          1HB       ALA  20   6.449   8.577   1.480
  180   2HB   ALA  20          2HB       ALA  20   6.702   9.392  -0.064
  181   3HB   ALA  20          3HB       ALA  20   8.028   9.262   1.091
  182    H    GLU  21           H        GLU  21  10.136   7.277  -0.221
  183    HA   GLU  21           HA       GLU  21  10.291   8.650  -2.801
  184   1HB   GLU  21          2HB       GLU  21  12.720   8.238  -2.610
  185   2HB   GLU  21          1HB       GLU  21  12.078   8.948  -1.132
  186   1HG   GLU  21          2HG       GLU  21  13.047   7.227  -0.033
  187   2HG   GLU  21          1HG       GLU  21  11.785   6.207  -0.719
  188    H    ASP  22           H        ASP  22  10.056   5.356  -1.684
  189    HA   ASP  22           HA       ASP  22  11.225   4.055  -3.960
  190   1HB   ASP  22          2HB       ASP  22   9.375   3.225  -1.752
  191   2HB   ASP  22          1HB       ASP  22   9.543   2.167  -3.152
  192    H    SER  23           H        SER  23  10.052   2.922  -5.685
  193    HA   SER  23           HA       SER  23   7.814   4.557  -6.701
  194   1HB   SER  23          2HB       SER  23   9.846   2.777  -7.857
  195   2HB   SER  23          1HB       SER  23   8.251   2.581  -8.575
  196    HG   SER  23           HG       SER  23   9.716   4.288  -9.443
  197    H    VAL  24           H        VAL  24   6.026   3.255  -7.884
  198    HA   VAL  24           HA       VAL  24   4.537   1.748  -5.970
  199    HB   VAL  24           HB       VAL  24   4.237   1.872  -8.988
  200   1HG1  VAL  24          1HG1      VAL  24   2.556   0.392  -8.777
  201   2HG1  VAL  24          2HG1      VAL  24   1.771   1.445  -7.600
  202   3HG1  VAL  24          3HG1      VAL  24   2.922   0.223  -7.060
  203   1HG2  VAL  24          1HG2      VAL  24   2.658   3.350  -6.873
  204   2HG2  VAL  24          2HG2      VAL  24   2.697   3.656  -8.609
  205   3HG2  VAL  24          3HG2      VAL  24   4.104   4.035  -7.615
  206    H    GLY  25           H        GLY  25   6.832   0.766  -8.467
  207   1HA   GLY  25          2HA       GLY  25   6.216  -2.015  -8.586
  208   2HA   GLY  25          1HA       GLY  25   7.807  -1.321  -8.917
  209    H    ASP  26           H        ASP  26   8.648  -0.292  -6.586
  210    HA   ASP  26           HA       ASP  26   9.417  -2.549  -5.008
  211   1HB   ASP  26          2HB       ASP  26  10.655  -0.357  -5.136
  212   2HB   ASP  26          1HB       ASP  26   9.389   0.359  -4.139
  213    H    PHE  27           H        PHE  27   6.821  -0.159  -4.643
  214    HA   PHE  27           HA       PHE  27   5.952  -0.854  -2.018
  215   1HB   PHE  27          2HB       PHE  27   5.211   1.121  -3.497
  216   2HB   PHE  27          1HB       PHE  27   4.106  -0.018  -4.264
  217    HD1  PHE  27           HD1      PHE  27   5.139   1.215  -0.878
  218    HD2  PHE  27           HD2      PHE  27   1.996  -0.399  -3.322
  219    HE1  PHE  27           HE1      PHE  27   3.533   1.517   0.986
  220    HE2  PHE  27           HE2      PHE  27   0.392  -0.095  -1.456
  221    HZ   PHE  27           HZ       PHE  27   1.160   0.864   0.696
  222    H    LYS  28           H        LYS  28   4.953  -2.099  -5.214
  223    HA   LYS  28           HA       LYS  28   3.070  -4.015  -4.152
  224   1HB   LYS  28          2HB       LYS  28   4.448  -3.688  -6.819
  225   2HB   LYS  28          1HB       LYS  28   3.397  -5.065  -6.489
  226   1HG   LYS  28          2HG       LYS  28   1.734  -3.185  -5.647
  227   2HG   LYS  28          1HG       LYS  28   2.698  -2.158  -6.708
  228   1HD   LYS  28          2HD       LYS  28   1.942  -4.743  -7.904
  229   2HD   LYS  28          1HD       LYS  28   0.573  -3.697  -7.532
  230   1HE   LYS  28          2HE       LYS  28   2.795  -2.232  -8.749
  231   2HE   LYS  28          1HE       LYS  28   2.185  -3.517  -9.790
  232   1HZ   LYS  28          1HZ       LYS  28   0.829  -1.120  -8.804
  233   2HZ   LYS  28          2HZ       LYS  28  -0.108  -2.521  -9.030
  234   3HZ   LYS  28          3HZ       LYS  28   0.757  -1.853 -10.331
  235    H    LYS  29           H        LYS  29   6.531  -4.083  -4.849
  236    HA   LYS  29           HA       LYS  29   6.907  -6.922  -4.729
  237   1HB   LYS  29          2HB       LYS  29   8.765  -4.598  -4.160
  238   2HB   LYS  29          1HB       LYS  29   9.296  -6.279  -4.118
  239   1HG   LYS  29          2HG       LYS  29   8.025  -6.265  -6.508
  240   2HG   LYS  29          1HG       LYS  29   8.560  -4.587  -6.442
  241   1HD   LYS  29          2HD       LYS  29  10.735  -5.146  -6.731
  242   2HD   LYS  29          1HD       LYS  29  10.628  -6.486  -5.590
  243   1HE   LYS  29          2HE       LYS  29   9.086  -7.141  -7.924
  244   2HE   LYS  29          1HE       LYS  29  10.696  -6.629  -8.428
  245   1HZ   LYS  29          1HZ       LYS  29  10.067  -8.716  -6.410
  246   2HZ   LYS  29          2HZ       LYS  29  11.633  -8.192  -6.817
  247   3HZ   LYS  29          3HZ       LYS  29  10.671  -8.980  -7.971
  248    H    VAL  30           H        VAL  30   7.074  -4.391  -2.208
  249    HA   VAL  30           HA       VAL  30   7.759  -6.209  -0.068
  250    HB   VAL  30           HB       VAL  30   6.397  -3.495   0.071
  251   1HG1  VAL  30          1HG1      VAL  30   7.582  -3.553   2.376
  252   2HG1  VAL  30          2HG1      VAL  30   7.673  -5.297   2.129
  253   3HG1  VAL  30          3HG1      VAL  30   6.104  -4.495   2.191
  254   1HG2  VAL  30          1HG2      VAL  30   8.412  -2.853  -0.803
  255   2HG2  VAL  30          2HG2      VAL  30   9.199  -4.368  -0.360
  256   3HG2  VAL  30          3HG2      VAL  30   8.978  -3.102   0.848
  257    H    LEU  31           H        LEU  31   4.702  -5.075  -1.455
  258    HA   LEU  31           HA       LEU  31   3.008  -6.167   0.623
  259   1HB   LEU  31          2HB       LEU  31   2.617  -5.044  -2.115
  260   2HB   LEU  31          1HB       LEU  31   1.336  -6.076  -1.479
  261    HG   LEU  31           HG       LEU  31   2.457  -3.926   0.285
  262   1HD1  LEU  31          1HD1      LEU  31   1.978  -2.882  -1.952
  263   2HD1  LEU  31          2HD1      LEU  31   0.952  -2.273  -0.653
  264   3HD1  LEU  31          3HD1      LEU  31   0.313  -3.446  -1.805
  265   1HD2  LEU  31          1HD2      LEU  31   0.414  -4.139   1.394
  266   2HD2  LEU  31          2HD2      LEU  31   0.646  -5.783   0.801
  267   3HD2  LEU  31          3HD2      LEU  31  -0.433  -4.680  -0.055
  268    H    SER  32           H        SER  32   3.868  -7.322  -2.661
  269    HA   SER  32           HA       SER  32   2.448  -9.746  -2.661
  270   1HB   SER  32          2HB       SER  32   4.184 -10.557  -4.263
  271   2HB   SER  32          1HB       SER  32   3.579  -8.951  -4.654
  272    HG   SER  32           HG       SER  32   5.938  -9.267  -4.667
  273    H    LEU  33           H        LEU  33   5.305  -8.954  -0.795
  274    HA   LEU  33           HA       LEU  33   6.140 -11.697  -0.330
  275   1HB   LEU  33          2HB       LEU  33   6.788  -9.040   0.936
  276   2HB   LEU  33          1HB       LEU  33   7.362 -10.544   1.658
  277    HG   LEU  33           HG       LEU  33   7.774 -10.066  -1.279
  278   1HD1  LEU  33          1HD1      LEU  33  10.157  -9.284  -0.226
  279   2HD1  LEU  33          2HD1      LEU  33   9.048  -8.615   0.972
  280   3HD1  LEU  33          3HD1      LEU  33   8.897  -8.156  -0.723
  281   1HD2  LEU  33          1HD2      LEU  33   9.624 -11.578  -0.948
  282   2HD2  LEU  33          2HD2      LEU  33   8.237 -12.272  -0.111
  283   3HD2  LEU  33          3HD2      LEU  33   9.495 -11.443   0.804
  284    H    GLN  34           H        GLN  34   4.174  -9.348   1.518
  285    HA   GLN  34           HA       GLN  34   3.728 -11.268   3.686
  286   1HB   GLN  34          2HB       GLN  34   2.252  -9.513   4.631
  287   2HB   GLN  34          1HB       GLN  34   3.848  -8.889   4.220
  288   1HG   GLN  34          2HG       GLN  34   2.749  -8.274   1.933
  289   2HG   GLN  34          1HG       GLN  34   1.227  -8.446   2.802
  290   1HE2  GLN  34          1HE2      GLN  34   0.711  -6.854   4.425
  291   2HE2  GLN  34          2HE2      GLN  34   1.639  -5.450   4.642
  292    H    ILE  35           H        ILE  35   1.766  -9.998   0.969
  293    HA   ILE  35           HA       ILE  35  -0.518 -11.667   1.819
  294    HB   ILE  35           HB       ILE  35  -1.463 -10.808  -0.471
  295   1HG1  ILE  35          2HG1      ILE  35   0.623  -8.675   0.028
  296   2HG1  ILE  35          1HG1      ILE  35   0.854  -9.956  -1.163
  297   1HG2  ILE  35          1HG2      ILE  35  -2.159  -8.703   0.631
  298   2HG2  ILE  35          2HG2      ILE  35  -0.931  -8.962   1.870
  299   3HG2  ILE  35          3HG2      ILE  35  -2.279 -10.089   1.715
  300   1HD1  ILE  35          1HD1      ILE  35  -0.452  -8.875  -2.645
  301   2HD1  ILE  35          2HD1      ILE  35  -0.532  -7.520  -1.519
  302   3HD1  ILE  35          3HD1      ILE  35  -1.768  -8.777  -1.474
  303    H    GLY  36           H        GLY  36   2.153 -11.886  -0.419
  304   1HA   GLY  36          2HA       GLY  36   2.853 -13.712  -1.728
  305   2HA   GLY  36          1HA       GLY  36   1.581 -14.669  -0.966
  306    H    THR  37           H        THR  37   1.208 -11.649  -2.788
  307    HA   THR  37           HA       THR  37  -0.582 -13.102  -4.689
  308    HB   THR  37           HB       THR  37  -0.555 -10.110  -4.394
  309    HG1  THR  37           HG1      THR  37  -1.901 -11.939  -2.689
  310   1HG2  THR  37          1HG2      THR  37  -2.301 -10.338  -5.779
  311   2HG2  THR  37          2HG2      THR  37  -3.149 -11.257  -4.535
  312   3HG2  THR  37          3HG2      THR  37  -2.144 -12.094  -5.720
  313    H    GLN  38           H        GLN  38   2.504 -11.753  -4.503
  314    HA   GLN  38           HA       GLN  38   4.114 -11.285  -6.128
  315   1HB   GLN  38          2HB       GLN  38   1.978 -12.626  -7.756
  316   2HB   GLN  38          1HB       GLN  38   3.284 -11.794  -8.595
  317   1HG   GLN  38          2HG       GLN  38   4.356 -13.384  -6.430
  318   2HG   GLN  38          1HG       GLN  38   3.353 -14.386  -7.478
  319   1HE2  GLN  38          1HE2      GLN  38   3.953 -14.482  -9.809
  320   2HE2  GLN  38          2HE2      GLN  38   5.530 -14.084 -10.295
  321    HA   PRO  39           HA       PRO  39   3.155  -7.188  -7.390
  322   1HB   PRO  39          2HB       PRO  39   5.155  -6.791  -9.243
  323   2HB   PRO  39          1HB       PRO  39   5.412  -6.776  -7.490
  324   1HG   PRO  39          2HG       PRO  39   6.100  -8.901  -9.474
  325   2HG   PRO  39          1HG       PRO  39   6.881  -8.509  -7.933
  326   1HD   PRO  39          2HD       PRO  39   5.112 -10.653  -8.353
  327   2HD   PRO  39          1HD       PRO  39   5.562  -9.987  -6.769
  328    H    ASN  40           H        ASN  40   3.173  -9.768  -9.731
  329    HA   ASN  40           HA       ASN  40   2.120  -8.123 -11.926
  330   1HB   ASN  40          2HB       ASN  40   2.547 -11.103 -11.585
  331   2HB   ASN  40          1HB       ASN  40   1.850 -10.390 -13.039
  332   1HD2  ASN  40          1HD2      ASN  40   4.835 -10.736 -11.170
  333   2HD2  ASN  40          2HD2      ASN  40   5.858 -10.055 -12.340
  334    H    LYS  41           H        LYS  41   0.815  -9.901  -9.228
  335    HA   LYS  41           HA       LYS  41  -1.902  -9.850 -10.472
  336   1HB   LYS  41          2HB       LYS  41  -0.668 -11.946  -9.268
  337   2HB   LYS  41          1HB       LYS  41  -1.498 -11.240  -7.881
  338   1HG   LYS  41          2HG       LYS  41  -3.451 -11.145  -9.821
  339   2HG   LYS  41          1HG       LYS  41  -2.611 -12.644 -10.217
  340   1HD   LYS  41          2HD       LYS  41  -2.774 -13.076  -7.619
  341   2HD   LYS  41          1HD       LYS  41  -4.096 -11.912  -7.714
  342   1HE   LYS  41          2HE       LYS  41  -4.789 -13.438  -9.798
  343   2HE   LYS  41          1HE       LYS  41  -3.893 -14.650  -8.887
  344   1HZ   LYS  41          1HZ       LYS  41  -5.274 -14.203  -6.970
  345   2HZ   LYS  41          2HZ       LYS  41  -6.244 -14.621  -8.302
  346   3HZ   LYS  41          3HZ       LYS  41  -6.118 -12.999  -7.817
  347    H    ILE  42           H        ILE  42  -0.096  -7.824  -8.644
  348    HA   ILE  42           HA       ILE  42  -2.299  -7.153  -6.749
  349    HB   ILE  42           HB       ILE  42   0.643  -6.431  -6.796
  350   1HG1  ILE  42          2HG1      ILE  42  -1.019  -7.705  -4.611
  351   2HG1  ILE  42          1HG1      ILE  42  -0.221  -8.657  -5.862
  352   1HG2  ILE  42          1HG2      ILE  42  -0.982  -4.515  -6.126
  353   2HG2  ILE  42          2HG2      ILE  42   0.322  -4.917  -5.011
  354   3HG2  ILE  42          3HG2      ILE  42  -1.313  -5.496  -4.700
  355   1HD1  ILE  42          1HD1      ILE  42   1.223  -6.682  -4.073
  356   2HD1  ILE  42          2HD1      ILE  42   1.954  -7.827  -5.197
  357   3HD1  ILE  42          3HD1      ILE  42   1.131  -8.413  -3.752
  358    H    VAL  43           H        VAL  43  -3.530  -5.390  -7.142
  359    HA   VAL  43           HA       VAL  43  -2.559  -3.399  -9.159
  360    HB   VAL  43           HB       VAL  43  -5.420  -4.258  -8.607
  361   1HG1  VAL  43          1HG1      VAL  43  -4.341  -1.906  -9.806
  362   2HG1  VAL  43          2HG1      VAL  43  -6.030  -2.404  -9.721
  363   3HG1  VAL  43          3HG1      VAL  43  -5.037  -2.886 -11.096
  364   1HG2  VAL  43          1HG2      VAL  43  -5.267  -5.214 -10.920
  365   2HG2  VAL  43          2HG2      VAL  43  -4.209  -6.024  -9.766
  366   3HG2  VAL  43          3HG2      VAL  43  -3.539  -4.861 -10.911
  367    H    LEU  44           H        LEU  44  -1.980  -1.610  -8.008
  368    HA   LEU  44           HA       LEU  44  -3.551  -0.869  -5.591
  369   1HB   LEU  44          2HB       LEU  44  -0.769  -0.578  -6.422
  370   2HB   LEU  44          1HB       LEU  44  -1.450   0.952  -5.873
  371    HG   LEU  44           HG       LEU  44  -2.372  -1.029  -4.067
  372   1HD1  LEU  44          1HD1      LEU  44   0.527  -1.319  -4.854
  373   2HD1  LEU  44          2HD1      LEU  44  -0.681  -2.583  -4.621
  374   3HD1  LEU  44          3HD1      LEU  44  -0.024  -1.724  -3.228
  375   1HD2  LEU  44          1HD2      LEU  44  -1.648   1.479  -3.839
  376   2HD2  LEU  44          2HD2      LEU  44  -0.050   0.808  -3.515
  377   3HD2  LEU  44          3HD2      LEU  44  -1.410   0.395  -2.469
  378    H    GLN  45           H        GLN  45  -4.797   0.985  -5.540
  379    HA   GLN  45           HA       GLN  45  -4.672   2.796  -7.915
  380   1HB   GLN  45          2HB       GLN  45  -7.266   2.030  -6.560
  381   2HB   GLN  45          1HB       GLN  45  -7.050   2.862  -8.098
  382   1HG   GLN  45          2HG       GLN  45  -5.649   0.527  -8.512
  383   2HG   GLN  45          1HG       GLN  45  -6.987  -0.019  -7.501
  384   1HE2  GLN  45          1HE2      GLN  45  -6.163   1.376 -10.647
  385   2HE2  GLN  45          2HE2      GLN  45  -7.710   1.209 -11.325
  386    H    LYS  46           H        LYS  46  -5.143   4.995  -7.481
  387    HA   LYS  46           HA       LYS  46  -5.519   5.714  -4.602
  388   1HB   LYS  46          2HB       LYS  46  -3.125   5.970  -5.317
  389   2HB   LYS  46          1HB       LYS  46  -3.656   7.126  -6.538
  390   1HG   LYS  46          2HG       LYS  46  -3.772   8.781  -5.015
  391   2HG   LYS  46          1HG       LYS  46  -4.782   7.799  -3.953
  392   1HD   LYS  46          2HD       LYS  46  -2.672   6.611  -3.209
  393   2HD   LYS  46          1HD       LYS  46  -1.756   7.828  -4.098
  394   1HE   LYS  46          2HE       LYS  46  -2.352   9.538  -2.644
  395   2HE   LYS  46          1HE       LYS  46  -3.846   8.741  -2.154
  396   1HZ   LYS  46          1HZ       LYS  46  -1.090   7.934  -1.399
  397   2HZ   LYS  46          2HZ       LYS  46  -2.498   7.073  -0.992
  398   3HZ   LYS  46          3HZ       LYS  46  -2.249   8.639  -0.382
  399    H    GLY  47           H        GLY  47  -7.578   6.537  -4.655
  400   1HA   GLY  47          2HA       GLY  47  -9.330   8.017  -5.148
  401   2HA   GLY  47          1HA       GLY  47  -8.115   9.070  -5.870
  402    H    GLY  48           H        GLY  48  -9.156   5.772  -6.791
  403   1HA   GLY  48          2HA       GLY  48 -10.076   4.969  -8.796
  404   2HA   GLY  48          1HA       GLY  48 -10.651   6.607  -9.105
  405    H    SER  49           H        SER  49  -7.305   5.431  -8.696
  406    HA   SER  49           HA       SER  49  -6.753   5.985 -11.562
  407   1HB   SER  49          2HB       SER  49  -6.032   7.762  -9.427
  408   2HB   SER  49          1HB       SER  49  -4.560   7.041 -10.071
  409    HG   SER  49           HG       SER  49  -5.342   8.977 -11.171
  410    H    VAL  50           H        VAL  50  -5.246   4.547 -12.379
  411    HA   VAL  50           HA       VAL  50  -4.370   2.380 -10.624
  412    HB   VAL  50           HB       VAL  50  -5.127   1.982 -12.966
  413   1HG1  VAL  50          1HG1      VAL  50  -4.144   2.934 -14.786
  414   2HG1  VAL  50          2HG1      VAL  50  -2.524   2.805 -14.103
  415   3HG1  VAL  50          3HG1      VAL  50  -3.578   4.136 -13.627
  416   1HG2  VAL  50          1HG2      VAL  50  -2.221   1.206 -12.607
  417   2HG2  VAL  50          2HG2      VAL  50  -3.482   0.306 -13.451
  418   3HG2  VAL  50          3HG2      VAL  50  -3.533   0.458 -11.695
  419    H    LEU  51           H        LEU  51  -2.424   2.186  -9.649
  420    HA   LEU  51           HA       LEU  51  -0.398   4.302 -10.090
  421   1HB   LEU  51          2HB       LEU  51  -0.259   2.032  -8.087
  422   2HB   LEU  51          1HB       LEU  51   0.605   3.568  -8.042
  423    HG   LEU  51           HG       LEU  51  -2.400   3.229  -7.774
  424   1HD1  LEU  51          1HD1      LEU  51  -0.522   2.704  -5.866
  425   2HD1  LEU  51          2HD1      LEU  51  -2.143   3.303  -5.512
  426   3HD1  LEU  51          3HD1      LEU  51  -0.787   4.428  -5.603
  427   1HD2  LEU  51          1HD2      LEU  51  -0.573   5.603  -7.984
  428   2HD2  LEU  51          2HD2      LEU  51  -2.022   5.721  -6.987
  429   3HD2  LEU  51          3HD2      LEU  51  -2.163   5.354  -8.707
  430    H    LYS  52           H        LYS  52   1.507   3.922 -11.171
  431    HA   LYS  52           HA       LYS  52   2.021   1.101 -12.029
  432   1HB   LYS  52          2HB       LYS  52   1.813   3.554 -13.541
  433   2HB   LYS  52          1HB       LYS  52   3.418   2.852 -13.749
  434   1HG   LYS  52          2HG       LYS  52   2.467   0.722 -14.421
  435   2HG   LYS  52          1HG       LYS  52   0.838   1.285 -14.043
  436   1HD   LYS  52          2HD       LYS  52   1.018   3.014 -15.793
  437   2HD   LYS  52          1HD       LYS  52   2.649   2.459 -16.173
  438   1HE   LYS  52          2HE       LYS  52   0.726   1.574 -17.651
  439   2HE   LYS  52          1HE       LYS  52   1.873   0.391 -17.026
  440   1HZ   LYS  52          1HZ       LYS  52   0.362  -0.313 -15.404
  441   2HZ   LYS  52          2HZ       LYS  52  -0.579  -0.142 -16.808
  442   3HZ   LYS  52          3HZ       LYS  52  -0.636   1.046 -15.597
  443    H    ASP  53           H        ASP  53   4.171   0.371 -12.074
  444    HA   ASP  53           HA       ASP  53   5.855   1.214  -9.943
  445   1HB   ASP  53          2HB       ASP  53   7.505  -0.341 -10.878
  446   2HB   ASP  53          1HB       ASP  53   5.896  -1.061 -10.932
  447    H    HIS  54           H        HIS  54   5.702   2.295 -13.279
  448    HA   HIS  54           HA       HIS  54   8.340   3.444 -13.415
  449   1HB   HIS  54          2HB       HIS  54   5.792   4.058 -14.931
  450   2HB   HIS  54          1HB       HIS  54   7.360   4.768 -15.319
  451    HD1  HIS  54           HD1      HIS  54   5.348   1.703 -15.749
  452    HD2  HIS  54           HD2      HIS  54   9.355   2.783 -16.142
  453    HE1  HIS  54           HE1      HIS  54   6.466  -0.153 -17.061
  454    H    ILE  55           H        ILE  55   5.557   4.432 -11.658
  455    HA   ILE  55           HA       ILE  55   6.589   7.232 -11.494
  456    HB   ILE  55           HB       ILE  55   3.852   6.096 -10.834
  457   1HG1  ILE  55          2HG1      ILE  55   3.428   8.014 -12.679
  458   2HG1  ILE  55          1HG1      ILE  55   5.060   7.539 -13.151
  459   1HG2  ILE  55          1HG2      ILE  55   4.923   8.930 -10.638
  460   2HG2  ILE  55          2HG2      ILE  55   4.430   7.911  -9.286
  461   3HG2  ILE  55          3HG2      ILE  55   3.230   8.475 -10.447
  462   1HD1  ILE  55          1HD1      ILE  55   3.639   6.118 -14.410
  463   2HD1  ILE  55          2HD1      ILE  55   2.575   5.826 -13.034
  464   3HD1  ILE  55          3HD1      ILE  55   4.187   5.114 -13.068
  465    H    SER  56           H        SER  56   7.125   8.086  -9.480
  466    HA   SER  56           HA       SER  56   7.783   6.169  -7.387
  467   1HB   SER  56          2HB       SER  56   8.697   8.131  -6.199
  468   2HB   SER  56          1HB       SER  56   9.266   8.069  -7.863
  469    HG   SER  56           HG       SER  56   8.501  10.160  -7.189
  470    H    LEU  57           H        LEU  57   6.967   6.206  -5.209
  471    HA   LEU  57           HA       LEU  57   4.133   6.493  -4.956
  472   1HB   LEU  57          2HB       LEU  57   6.329   6.274  -2.878
  473   2HB   LEU  57          1HB       LEU  57   4.615   6.291  -2.464
  474    HG   LEU  57           HG       LEU  57   5.752   4.341  -4.476
  475   1HD1  LEU  57          1HD1      LEU  57   5.552   4.115  -1.466
  476   2HD1  LEU  57          2HD1      LEU  57   6.972   3.856  -2.480
  477   3HD1  LEU  57          3HD1      LEU  57   5.640   2.702  -2.518
  478   1HD2  LEU  57          1HD2      LEU  57   3.140   5.003  -3.548
  479   2HD2  LEU  57          2HD2      LEU  57   3.531   3.409  -2.904
  480   3HD2  LEU  57          3HD2      LEU  57   3.598   3.698  -4.642
  481    H    GLU  58           H        GLU  58   6.821   8.670  -4.175
  482    HA   GLU  58           HA       GLU  58   5.358  10.636  -2.708
  483   1HB   GLU  58          2HB       GLU  58   7.946  10.373  -3.194
  484   2HB   GLU  58          1HB       GLU  58   7.586  11.429  -4.559
  485   1HG   GLU  58          2HG       GLU  58   8.133  12.939  -2.831
  486   2HG   GLU  58          1HG       GLU  58   6.370  12.921  -2.818
  487    H    ASP  59           H        ASP  59   5.755  10.090  -6.189
  488    HA   ASP  59           HA       ASP  59   4.619  12.574  -7.086
  489   1HB   ASP  59          2HB       ASP  59   5.771  10.391  -8.318
  490   2HB   ASP  59          1HB       ASP  59   4.076  10.213  -8.769
  491    H    TYR  60           H        TYR  60   3.196   9.382  -6.382
  492    HA   TYR  60           HA       TYR  60   0.489  10.167  -7.077
  493   1HB   TYR  60          2HB       TYR  60   1.690   7.828  -5.594
  494   2HB   TYR  60          1HB       TYR  60  -0.056   8.040  -5.706
  495    HD1  TYR  60           HD1      TYR  60   2.555   6.343  -7.161
  496    HD2  TYR  60           HD2      TYR  60  -0.744   8.863  -8.273
  497    HE1  TYR  60           HE1      TYR  60   2.575   5.368  -9.441
  498    HE2  TYR  60           HE2      TYR  60  -0.720   7.887 -10.551
  499    HH   TYR  60           HH       TYR  60   1.054   6.735 -12.040
  500    H    GLU  61           H        GLU  61   2.491  10.725  -4.338
  501    HA   GLU  61           HA       GLU  61   2.048  12.070  -2.463
  502   1HB   GLU  61          2HB       GLU  61  -0.089  12.751  -3.946
  503   2HB   GLU  61          1HB       GLU  61  -0.920  11.832  -2.690
  504   1HG   GLU  61          2HG       GLU  61   1.140  13.706  -1.693
  505   2HG   GLU  61          1HG       GLU  61  -0.246  14.475  -2.465
  506    H    VAL  62           H        VAL  62   2.827   9.741  -1.888
  507    HA   VAL  62           HA       VAL  62   0.778   8.376  -0.191
  508    HB   VAL  62           HB       VAL  62   3.426   7.339  -1.266
  509   1HG1  VAL  62          1HG1      VAL  62   1.878   6.475   0.944
  510   2HG1  VAL  62          2HG1      VAL  62   3.226   5.631   0.185
  511   3HG1  VAL  62          3HG1      VAL  62   1.576   5.320  -0.354
  512   1HG2  VAL  62          1HG2      VAL  62   2.295   6.585  -3.074
  513   2HG2  VAL  62          2HG2      VAL  62   0.980   7.651  -2.582
  514   3HG2  VAL  62          3HG2      VAL  62   0.981   5.962  -2.078
  515    H    HIS  63           H        HIS  63   0.921   9.359   1.792
  516    HA   HIS  63           HA       HIS  63   3.648   9.776   2.952
  517   1HB   HIS  63          2HB       HIS  63   1.039  11.234   3.250
  518   2HB   HIS  63          1HB       HIS  63   2.204  11.280   4.572
  519    HD1  HIS  63           HD1      HIS  63   1.409  12.906   1.436
  520    HD2  HIS  63           HD2      HIS  63   4.904  12.176   3.581
  521    HE1  HIS  63           HE1      HIS  63   3.159  14.487   0.513
  522    H    ASP  64           H        ASP  64   3.244   9.866   5.580
  523    HA   ASP  64           HA       ASP  64   2.851   7.134   6.357
  524   1HB   ASP  64          2HB       ASP  64   4.227   9.000   7.528
  525   2HB   ASP  64          1HB       ASP  64   2.698   9.450   8.284
  526    H    GLN  65           H        GLN  65   1.091   6.085   7.177
  527    HA   GLN  65           HA       GLN  65  -1.138   5.637   7.699
  528   1HB   GLN  65          2HB       GLN  65  -0.434   8.061   9.084
  529   2HB   GLN  65          1HB       GLN  65  -2.114   8.165   8.557
  530   1HG   GLN  65          2HG       GLN  65  -2.394   7.041  10.562
  531   2HG   GLN  65          1HG       GLN  65  -2.197   5.670   9.470
  532   1HE2  GLN  65          1HE2      GLN  65  -0.133   4.505   9.522
  533   2HE2  GLN  65          2HE2      GLN  65   0.969   4.727  10.793
  534    H    THR  66           H        THR  66  -0.517   6.450   4.990
  535    HA   THR  66           HA       THR  66  -2.811   8.147   4.183
  536    HB   THR  66           HB       THR  66  -0.494   8.404   3.157
  537    HG1  THR  66           HG1      THR  66  -1.596   9.238   1.607
  538   1HG2  THR  66          1HG2      THR  66   0.043   6.011   2.949
  539   2HG2  THR  66          2HG2      THR  66   0.106   6.807   1.376
  540   3HG2  THR  66          3HG2      THR  66  -1.283   5.808   1.803
  541    H    ASN  67           H        ASN  67  -4.474   7.355   2.776
  542    HA   ASN  67           HA       ASN  67  -4.909   4.424   3.024
  543   1HB   ASN  67          2HB       ASN  67  -6.607   6.479   3.542
  544   2HB   ASN  67          1HB       ASN  67  -7.033   6.141   1.865
  545   1HD2  ASN  67          1HD2      ASN  67  -6.945   4.736   5.134
  546   2HD2  ASN  67          2HD2      ASN  67  -7.935   3.406   4.772
  547    H    LEU  68           H        LEU  68  -5.125   3.099   1.255
  548    HA   LEU  68           HA       LEU  68  -5.050   4.307  -1.468
  549   1HB   LEU  68          2HB       LEU  68  -2.970   2.650  -0.164
  550   2HB   LEU  68          1HB       LEU  68  -3.417   2.136  -1.790
  551    HG   LEU  68           HG       LEU  68  -3.004   5.057  -1.391
  552   1HD1  LEU  68          1HD1      LEU  68  -1.107   4.285  -0.138
  553   2HD1  LEU  68          2HD1      LEU  68  -0.513   4.691  -1.747
  554   3HD1  LEU  68          3HD1      LEU  68  -0.778   3.004  -1.306
  555   1HD2  LEU  68          1HD2      LEU  68  -2.295   4.954  -3.644
  556   2HD2  LEU  68          2HD2      LEU  68  -3.576   3.746  -3.556
  557   3HD2  LEU  68          3HD2      LEU  68  -1.886   3.243  -3.528
  558    H    GLU  69           H        GLU  69  -5.302   2.358  -3.125
  559    HA   GLU  69           HA       GLU  69  -7.454   0.570  -2.051
  560   1HB   GLU  69          2HB       GLU  69  -7.051   1.773  -4.802
  561   2HB   GLU  69          1HB       GLU  69  -8.214   0.490  -4.475
  562   1HG   GLU  69          2HG       GLU  69  -9.665   2.153  -3.969
  563   2HG   GLU  69          1HG       GLU  69  -8.752   2.323  -2.472
  564    H    LEU  70           H        LEU  70  -7.407  -1.637  -2.662
  565    HA   LEU  70           HA       LEU  70  -5.016  -2.554  -4.194
  566   1HB   LEU  70          2HB       LEU  70  -4.465  -2.793  -1.818
  567   2HB   LEU  70          1HB       LEU  70  -5.965  -3.673  -1.537
  568    HG   LEU  70           HG       LEU  70  -5.212  -5.456  -3.073
  569   1HD1  LEU  70          1HD1      LEU  70  -2.568  -5.191  -3.507
  570   2HD1  LEU  70          2HD1      LEU  70  -3.023  -3.488  -3.538
  571   3HD1  LEU  70          3HD1      LEU  70  -3.775  -4.622  -4.661
  572   1HD2  LEU  70          1HD2      LEU  70  -4.584  -6.100  -0.949
  573   2HD2  LEU  70          2HD2      LEU  70  -3.631  -4.641  -0.676
  574   3HD2  LEU  70          3HD2      LEU  70  -2.977  -5.950  -1.661
  575    H    TYR  71           H        TYR  71  -5.529  -4.070  -5.697
  576    HA   TYR  71           HA       TYR  71  -8.029  -5.659  -5.361
  577   1HB   TYR  71          2HB       TYR  71  -7.228  -4.100  -7.841
  578   2HB   TYR  71          1HB       TYR  71  -8.546  -5.271  -7.781
  579    HD1  TYR  71           HD1      TYR  71  -7.559  -1.869  -7.134
  580    HD2  TYR  71           HD2      TYR  71 -10.436  -4.883  -6.089
  581    HE1  TYR  71           HE1      TYR  71  -9.074  -0.118  -6.249
  582    HE2  TYR  71           HE2      TYR  71 -11.950  -3.132  -5.205
  583    HH   TYR  71           HH       TYR  71 -12.040  -0.269  -5.886
  584    H    TYR  72           H        TYR  72  -7.899  -7.745  -6.279
  585    HA   TYR  72           HA       TYR  72  -5.144  -8.586  -7.024
  586   1HB   TYR  72          2HB       TYR  72  -7.599 -10.142  -6.160
  587   2HB   TYR  72          1HB       TYR  72  -6.111 -10.913  -6.699
  588    HD1  TYR  72           HD1      TYR  72  -6.759 -11.757  -4.141
  589    HD2  TYR  72           HD2      TYR  72  -5.002  -7.981  -5.219
  590    HE1  TYR  72           HE1      TYR  72  -5.821 -11.535  -1.857
  591    HE2  TYR  72           HE2      TYR  72  -4.070  -7.763  -2.937
  592    HH   TYR  72           HH       TYR  72  -4.794  -8.773  -0.547
  593    H    LEU  73           HN       LEU  73  -4.659  -8.993  -9.098
  594    HA   LEU  73           HA       LEU  73  -4.863  -9.618 -11.342
  595   1HB   LEU  73          2HB       LEU  73  -6.620 -11.282 -10.229
  596   2HB   LEU  73          1HB       LEU  73  -7.775 -10.255 -11.080
  597    HG   LEU  73           HG       LEU  73  -5.429 -11.029 -12.693
  598   1HD1  LEU  73          1HD1      LEU  73  -5.550 -13.269 -12.508
  599   2HD1  LEU  73          2HD1      LEU  73  -7.301 -13.244 -12.708
  600   3HD1  LEU  73          3HD1      LEU  73  -6.593 -13.040 -11.105
  601   1HD2  LEU  73          1HD2      LEU  73  -7.068 -11.187 -14.415
  602   2HD2  LEU  73          2HD2      LEU  73  -7.601  -9.843 -13.404
  603   3HD2  LEU  73          3HD2      LEU  73  -8.377 -11.419 -13.256
  Start of MODEL   16
    1    H    MET   1           1H       MET   1  11.660   5.696   5.526
    2    HA   MET   1           HA       MET   1   9.649   4.657   4.599
    3   1HB   MET   1          2HB       MET   1  11.505   3.514   6.112
    4   2HB   MET   1          1HB       MET   1  10.161   3.333   7.240
    5   1HG   MET   1          2HG       MET   1   8.833   2.236   5.446
    6   2HG   MET   1          1HG       MET   1  10.221   2.362   4.366
    7   1HE   MET   1          1HE       MET   1  11.619  -0.892   4.651
    8   2HE   MET   1          2HE       MET   1  11.254   0.600   3.785
    9   3HE   MET   1          3HE       MET   1   9.961  -0.540   4.148
   10    H    ILE   2           H        ILE   2   7.451   4.474   4.717
   11    HA   ILE   2           HA       ILE   2   6.122   5.301   7.271
   12    HB   ILE   2           HB       ILE   2   4.296   6.242   5.906
   13   1HG1  ILE   2          2HG1      ILE   2   6.052   5.790   3.481
   14   2HG1  ILE   2          1HG1      ILE   2   4.791   4.646   3.943
   15   1HG2  ILE   2          1HG2      ILE   2   6.943   7.320   4.907
   16   2HG2  ILE   2          2HG2      ILE   2   6.367   7.584   6.553
   17   3HG2  ILE   2          3HG2      ILE   2   5.448   8.214   5.186
   18   1HD1  ILE   2          1HD1      ILE   2   4.547   7.350   2.772
   19   2HD1  ILE   2          2HD1      ILE   2   3.415   6.997   4.076
   20   3HD1  ILE   2          3HD1      ILE   2   3.461   5.967   2.646
   21    H    GLU   3           H        GLU   3   3.917   4.360   7.543
   22    HA   GLU   3           HA       GLU   3   3.735   1.647   6.290
   23   1HB   GLU   3          2HB       GLU   3   2.481   1.013   8.414
   24   2HB   GLU   3          1HB       GLU   3   4.202   1.333   8.621
   25   1HG   GLU   3          2HG       GLU   3   3.815   3.112   9.966
   26   2HG   GLU   3          1HG       GLU   3   2.565   3.749   8.899
   27    H    VAL   4           H        VAL   4   2.125   1.669   4.816
   28    HA   VAL   4           HA       VAL   4  -0.310   3.311   5.390
   29    HB   VAL   4           HB       VAL   4  -0.685   3.319   2.952
   30   1HG1  VAL   4          1HG1      VAL   4   0.718   5.086   3.993
   31   2HG1  VAL   4          2HG1      VAL   4   1.212   4.744   2.336
   32   3HG1  VAL   4          3HG1      VAL   4   2.152   4.107   3.686
   33   1HG2  VAL   4          1HG2      VAL   4   0.405   1.093   2.543
   34   2HG2  VAL   4          2HG2      VAL   4   1.973   1.869   2.773
   35   3HG2  VAL   4          3HG2      VAL   4   0.939   2.352   1.430
   36    H    VAL   5           H        VAL   5  -2.346   2.354   4.327
   37    HA   VAL   5           HA       VAL   5  -2.357  -0.628   4.576
   38    HB   VAL   5           HB       VAL   5  -4.710  -0.353   5.513
   39   1HG1  VAL   5          1HG1      VAL   5  -2.231   0.557   6.972
   40   2HG1  VAL   5          2HG1      VAL   5  -3.058  -1.000   7.066
   41   3HG1  VAL   5          3HG1      VAL   5  -3.784   0.430   7.802
   42   1HG2  VAL   5          1HG2      VAL   5  -5.232   1.830   6.546
   43   2HG2  VAL   5          2HG2      VAL   5  -5.041   1.995   4.800
   44   3HG2  VAL   5          3HG2      VAL   5  -3.743   2.504   5.881
   45    H    VAL   6           H        VAL   6  -3.675  -1.722   3.095
   46    HA   VAL   6           HA       VAL   6  -4.945  -0.022   0.982
   47    HB   VAL   6           HB       VAL   6  -4.447  -1.905  -0.594
   48   1HG1  VAL   6          1HG1      VAL   6  -1.850  -1.537  -0.431
   49   2HG1  VAL   6          2HG1      VAL   6  -2.281  -0.393   0.840
   50   3HG1  VAL   6          3HG1      VAL   6  -2.902  -0.168  -0.796
   51   1HG2  VAL   6          1HG2      VAL   6  -3.855  -3.269   1.822
   52   2HG2  VAL   6          2HG2      VAL   6  -2.328  -3.107   0.955
   53   3HG2  VAL   6          3HG2      VAL   6  -3.704  -3.887   0.178
   54    H    ASN   7           H        ASN   7  -6.976  -0.685   0.201
   55    HA   ASN   7           HA       ASN   7  -8.335  -2.789   1.841
   56   1HB   ASN   7          2HB       ASN   7  -9.706  -0.572   0.300
   57   2HB   ASN   7          1HB       ASN   7 -10.379  -1.581   1.580
   58   1HD2  ASN   7          1HD2      ASN   7  -9.169  -1.333   3.797
   59   2HD2  ASN   7          2HD2      ASN   7  -8.655   0.232   4.205
   60    H    ASP   8           H        ASP   8  -8.909  -4.605   0.749
   61    HA   ASP   8           HA       ASP   8  -8.482  -4.824  -2.113
   62   1HB   ASP   8          2HB       ASP   8  -9.495  -6.683   0.025
   63   2HB   ASP   8          1HB       ASP   8  -9.619  -7.133  -1.674
   64    H    ARG   9           H        ARG   9 -11.464  -5.566  -0.254
   65    HA   ARG   9           HA       ARG   9 -13.037  -4.137  -2.343
   66   1HB   ARG   9          2HB       ARG   9 -13.218  -7.040  -1.588
   67   2HB   ARG   9          1HB       ARG   9 -14.688  -6.186  -2.055
   68   1HG   ARG   9          2HG       ARG   9 -14.116  -6.507  -4.208
   69   2HG   ARG   9          1HG       ARG   9 -12.740  -5.434  -3.953
   70   1HD   ARG   9          2HD       ARG   9 -11.698  -7.655  -2.881
   71   2HD   ARG   9          1HD       ARG   9 -12.837  -8.417  -3.990
   72    HE   ARG   9           HE       ARG   9 -11.671  -6.831  -5.742
   73   1HH1  ARG   9          2HH1      ARG   9 -10.393  -9.486  -5.447
   74   2HH1  ARG   9          1HH1      ARG   9  -8.751  -9.083  -5.071
   75   1HH2  ARG   9          1HH2      ARG   9  -9.478  -5.802  -4.200
   76   2HH2  ARG   9          2HH2      ARG   9  -8.232  -6.994  -4.362
   77    H    LEU  10           H        LEU  10 -12.633  -2.910  -0.016
   78    HA   LEU  10           HA       LEU  10 -13.674  -1.990   1.867
   79   1HB   LEU  10          2HB       LEU  10 -15.741  -2.570  -0.068
   80   2HB   LEU  10          1HB       LEU  10 -16.374  -2.804   1.561
   81    HG   LEU  10           HG       LEU  10 -14.900  -0.474   1.807
   82   1HD1  LEU  10          1HD1      LEU  10 -16.349  -0.465  -0.859
   83   2HD1  LEU  10          2HD1      LEU  10 -14.603  -0.360  -0.632
   84   3HD1  LEU  10          3HD1      LEU  10 -15.644   0.950  -0.075
   85   1HD2  LEU  10          1HD2      LEU  10 -17.136  -0.948   2.747
   86   2HD2  LEU  10          2HD2      LEU  10 -17.849  -0.788   1.141
   87   3HD2  LEU  10          3HD2      LEU  10 -17.117   0.612   1.925
   88    H    GLY  11           H        GLY  11 -12.457  -3.792   3.002
   89   1HA   GLY  11          2HA       GLY  11 -13.764  -4.900   5.144
   90   2HA   GLY  11          1HA       GLY  11 -14.011  -6.114   3.888
   91    H    LYS  12           H        LYS  12 -11.750  -6.353   2.558
   92    HA   LYS  12           HA       LYS  12  -9.890  -7.466   4.526
   93   1HB   LYS  12          2HB       LYS  12 -10.554  -8.062   1.887
   94   2HB   LYS  12          1HB       LYS  12  -8.929  -7.392   1.768
   95   1HG   LYS  12          2HG       LYS  12  -8.550  -8.977   3.896
   96   2HG   LYS  12          1HG       LYS  12  -9.864  -9.871   3.131
   97   1HD   LYS  12          2HD       LYS  12  -8.443 -10.708   1.609
   98   2HD   LYS  12          1HD       LYS  12  -8.004  -9.077   1.098
   99   1HE   LYS  12          2HE       LYS  12  -6.347  -8.955   2.928
  100   2HE   LYS  12          1HE       LYS  12  -6.776 -10.591   3.424
  101   1HZ   LYS  12          1HZ       LYS  12  -5.424 -11.409   1.893
  102   2HZ   LYS  12          2HZ       LYS  12  -4.921  -9.832   1.504
  103   3HZ   LYS  12          3HZ       LYS  12  -6.212 -10.551   0.664
  104    H    LYS  13           H        LYS  13  -8.525  -6.094   5.548
  105    HA   LYS  13           HA       LYS  13  -7.314  -3.855   3.974
  106   1HB   LYS  13          2HB       LYS  13  -8.740  -3.348   6.058
  107   2HB   LYS  13          1HB       LYS  13  -7.405  -4.031   6.987
  108   1HG   LYS  13          2HG       LYS  13  -5.869  -2.419   5.780
  109   2HG   LYS  13          1HG       LYS  13  -7.313  -1.642   5.130
  110   1HD   LYS  13          2HD       LYS  13  -7.892  -1.833   7.828
  111   2HD   LYS  13          1HD       LYS  13  -6.163  -1.488   7.826
  112   1HE   LYS  13          2HE       LYS  13  -6.660   0.674   7.450
  113   2HE   LYS  13          1HE       LYS  13  -7.262   0.204   5.861
  114   1HZ   LYS  13          1HZ       LYS  13  -8.893   0.103   8.339
  115   2HZ   LYS  13          2HZ       LYS  13  -9.432  -0.104   6.740
  116   3HZ   LYS  13          3HZ       LYS  13  -8.890   1.418   7.267
  117    H    VAL  14           H        VAL  14  -5.180  -4.036   3.541
  118    HA   VAL  14           HA       VAL  14  -3.527  -5.883   5.229
  119    HB   VAL  14           HB       VAL  14  -2.870  -5.105   2.380
  120   1HG1  VAL  14          1HG1      VAL  14  -1.688  -7.343   2.517
  121   2HG1  VAL  14          2HG1      VAL  14  -2.083  -7.369   4.235
  122   3HG1  VAL  14          3HG1      VAL  14  -1.041  -6.101   3.589
  123   1HG2  VAL  14          1HG2      VAL  14  -4.459  -7.538   3.268
  124   2HG2  VAL  14          2HG2      VAL  14  -3.962  -7.158   1.618
  125   3HG2  VAL  14          3HG2      VAL  14  -5.145  -6.140   2.439
  126    H    ARG  15           H        ARG  15  -1.456  -5.113   5.868
  127    HA   ARG  15           HA       ARG  15  -1.067  -2.170   5.511
  128   1HB   ARG  15          2HB       ARG  15   0.217  -2.231   7.601
  129   2HB   ARG  15          1HB       ARG  15  -1.384  -2.923   7.856
  130   1HG   ARG  15          2HG       ARG  15   0.121  -5.117   7.072
  131   2HG   ARG  15          1HG       ARG  15   1.251  -4.194   8.062
  132   1HD   ARG  15          2HD       ARG  15   0.040  -4.502   9.976
  133   2HD   ARG  15          1HD       ARG  15  -1.507  -4.451   9.132
  134    HE   ARG  15           HE       ARG  15  -0.077  -6.837   9.818
  135   1HH1  ARG  15          1HH2      ARG  15  -3.005  -6.733   9.133
  136   2HH1  ARG  15          2HH2      ARG  15  -3.055  -7.627   7.651
  137   1HH2  ARG  15          2HH1      ARG  15   0.361  -7.396   7.082
  138   2HH2  ARG  15          1HH1      ARG  15  -1.150  -8.001   6.490
  139    H    VAL  16           H        VAL  16   0.970  -1.398   4.871
  140    HA   VAL  16           HA       VAL  16   3.157  -3.322   4.383
  141    HB   VAL  16           HB       VAL  16   1.806  -3.506   2.348
  142   1HG1  VAL  16          1HG1      VAL  16   0.539  -1.603   2.058
  143   2HG1  VAL  16          2HG1      VAL  16   1.852  -1.237   0.940
  144   3HG1  VAL  16          3HG1      VAL  16   1.844  -0.525   2.552
  145   1HG2  VAL  16          1HG2      VAL  16   3.623  -3.460   0.972
  146   2HG2  VAL  16          2HG2      VAL  16   4.496  -3.008   2.435
  147   3HG2  VAL  16          3HG2      VAL  16   3.960  -1.762   1.309
  148    H    LYS  17           H        LYS  17   5.180  -2.309   4.397
  149    HA   LYS  17           HA       LYS  17   5.123   0.624   4.946
  150   1HB   LYS  17          2HB       LYS  17   7.237   0.299   6.145
  151   2HB   LYS  17          1HB       LYS  17   6.001  -0.782   6.783
  152   1HG   LYS  17          2HG       LYS  17   7.134  -2.292   4.759
  153   2HG   LYS  17          1HG       LYS  17   8.521  -1.423   5.416
  154   1HD   LYS  17          2HD       LYS  17   8.401  -2.480   7.442
  155   2HD   LYS  17          1HD       LYS  17   6.641  -2.571   7.407
  156   1HE   LYS  17          2HE       LYS  17   7.781  -4.177   5.281
  157   2HE   LYS  17          1HE       LYS  17   8.454  -4.650   6.838
  158   1HZ   LYS  17          1HZ       LYS  17   5.779  -4.299   7.313
  159   2HZ   LYS  17          2HZ       LYS  17   6.589  -5.783   7.141
  160   3HZ   LYS  17          3HZ       LYS  17   5.832  -5.066   5.800
  161    H    CYS  18           H        CYS  18   6.323   2.012   3.719
  162    HA   CYS  18           HA       CYS  18   8.483   1.119   1.968
  163   1HB   CYS  18          2HB       CYS  18   7.385   1.847  -0.141
  164   2HB   CYS  18          1HB       CYS  18   6.553   0.472   0.585
  165    HG   CYS  18           HG       CYS  18   4.557   1.902   1.074
  166    H    LEU  19           H        LEU  19   9.577   2.983   0.974
  167    HA   LEU  19           HA       LEU  19   9.290   5.406   2.603
  168   1HB   LEU  19          2HB       LEU  19  11.230   4.489   0.484
  169   2HB   LEU  19          1HB       LEU  19  11.216   6.167   1.023
  170    HG   LEU  19           HG       LEU  19  11.121   4.625   3.378
  171   1HD1  LEU  19          1HD1      LEU  19  13.276   3.298   3.053
  172   2HD1  LEU  19          2HD1      LEU  19  13.036   3.510   1.318
  173   3HD1  LEU  19          3HD1      LEU  19  11.842   2.632   2.274
  174   1HD2  LEU  19          1HD2      LEU  19  13.253   6.224   1.953
  175   2HD2  LEU  19          2HD2      LEU  19  13.558   5.486   3.527
  176   3HD2  LEU  19          3HD2      LEU  19  12.282   6.690   3.351
  177    H    ALA  20           H        ALA  20   8.698   7.464   1.801
  178    HA   ALA  20           HA       ALA  20   6.699   7.541  -0.247
  179   1HB   ALA  20          1HB       ALA  20   6.567   9.853   0.180
  180   2HB   ALA  20          2HB       ALA  20   8.278   9.968   0.595
  181   3HB   ALA  20          3HB       ALA  20   7.149   9.199   1.711
  182    H    GLU  21           H        GLU  21  10.178   7.830  -0.364
  183    HA   GLU  21           HA       GLU  21  10.198   9.015  -3.058
  184   1HB   GLU  21          2HB       GLU  21  12.669   8.695  -2.896
  185   2HB   GLU  21          1HB       GLU  21  12.012   9.611  -1.541
  186   1HG   GLU  21          2HG       GLU  21  11.926   6.791  -0.925
  187   2HG   GLU  21          1HG       GLU  21  13.557   7.237  -1.426
  188    H    ASP  22           H        ASP  22  10.036   5.841  -1.681
  189    HA   ASP  22           HA       ASP  22  11.321   4.333  -3.754
  190   1HB   ASP  22          2HB       ASP  22   9.600   3.786  -1.454
  191   2HB   ASP  22          1HB       ASP  22   9.235   2.730  -2.818
  192    H    SER  23           H        SER  23  10.146   2.955  -5.375
  193    HA   SER  23           HA       SER  23   8.061   4.574  -6.718
  194   1HB   SER  23          2HB       SER  23  10.189   2.821  -7.588
  195   2HB   SER  23          1HB       SER  23   8.655   2.306  -8.281
  196    HG   SER  23           HG       SER  23   9.144   3.866  -9.638
  197    H    VAL  24           H        VAL  24   6.263   3.291  -7.823
  198    HA   VAL  24           HA       VAL  24   4.693   1.918  -5.870
  199    HB   VAL  24           HB       VAL  24   4.436   1.909  -8.895
  200   1HG1  VAL  24          1HG1      VAL  24   2.656   0.933  -6.669
  201   2HG1  VAL  24          2HG1      VAL  24   3.086   0.123  -8.176
  202   3HG1  VAL  24          3HG1      VAL  24   1.964   1.484  -8.195
  203   1HG2  VAL  24          1HG2      VAL  24   3.165   3.627  -6.739
  204   2HG2  VAL  24          2HG2      VAL  24   2.714   3.660  -8.443
  205   3HG2  VAL  24          3HG2      VAL  24   4.329   4.165  -7.950
  206    H    GLY  25           H        GLY  25   6.980   0.761  -8.305
  207   1HA   GLY  25          2HA       GLY  25   6.307  -2.000  -8.333
  208   2HA   GLY  25          1HA       GLY  25   7.932  -1.368  -8.607
  209    H    ASP  26           H        ASP  26   8.459  -0.162  -6.148
  210    HA   ASP  26           HA       ASP  26   9.232  -2.389  -4.503
  211   1HB   ASP  26          2HB       ASP  26  10.453  -0.249  -4.462
  212   2HB   ASP  26          1HB       ASP  26   9.027   0.568  -3.824
  213    H    PHE  27           H        PHE  27   6.535  -0.086  -4.378
  214    HA   PHE  27           HA       PHE  27   5.408  -0.800  -1.869
  215   1HB   PHE  27          2HB       PHE  27   4.749   1.106  -3.478
  216   2HB   PHE  27          1HB       PHE  27   3.791  -0.101  -4.332
  217    HD1  PHE  27           HD1      PHE  27   2.243  -1.597  -2.727
  218    HD2  PHE  27           HD2      PHE  27   3.711   2.331  -1.796
  219    HE1  PHE  27           HE1      PHE  27   0.406  -1.298  -1.095
  220    HE2  PHE  27           HE2      PHE  27   1.872   2.628  -0.163
  221    HZ   PHE  27           HZ       PHE  27   0.219   0.814   0.187
  222    H    LYS  28           H        LYS  28   4.810  -2.146  -5.130
  223    HA   LYS  28           HA       LYS  28   2.917  -4.143  -4.253
  224   1HB   LYS  28          2HB       LYS  28   4.615  -3.896  -6.750
  225   2HB   LYS  28          1HB       LYS  28   3.434  -5.184  -6.509
  226   1HG   LYS  28          2HG       LYS  28   1.621  -3.632  -6.395
  227   2HG   LYS  28          1HG       LYS  28   2.717  -2.258  -6.255
  228   1HD   LYS  28          2HD       LYS  28   3.508  -2.598  -8.534
  229   2HD   LYS  28          1HD       LYS  28   2.541  -4.064  -8.684
  230   1HE   LYS  28          2HE       LYS  28   0.526  -2.887  -8.779
  231   2HE   LYS  28          1HE       LYS  28   1.193  -1.479  -7.956
  232   1HZ   LYS  28          1HZ       LYS  28   2.132  -2.318 -10.632
  233   2HZ   LYS  28          2HZ       LYS  28   2.329  -0.813  -9.867
  234   3HZ   LYS  28          3HZ       LYS  28   0.800  -1.288 -10.436
  235    H    LYS  29           H        LYS  29   6.436  -4.068  -4.486
  236    HA   LYS  29           HA       LYS  29   6.837  -6.920  -4.281
  237   1HB   LYS  29          2HB       LYS  29   8.586  -4.508  -3.838
  238   2HB   LYS  29          1HB       LYS  29   9.162  -6.122  -3.417
  239   1HG   LYS  29          2HG       LYS  29   8.421  -6.803  -5.794
  240   2HG   LYS  29          1HG       LYS  29   8.353  -5.073  -6.129
  241   1HD   LYS  29          2HD       LYS  29  10.798  -5.355  -4.862
  242   2HD   LYS  29          1HD       LYS  29  10.688  -6.824  -5.833
  243   1HE   LYS  29          2HE       LYS  29  10.198  -5.475  -7.834
  244   2HE   LYS  29          1HE       LYS  29  10.290  -4.001  -6.871
  245   1HZ   LYS  29          1HZ       LYS  29  12.532  -5.928  -7.049
  246   2HZ   LYS  29          2HZ       LYS  29  12.566  -4.323  -6.485
  247   3HZ   LYS  29          3HZ       LYS  29  12.351  -4.643  -8.140
  248    H    VAL  30           H        VAL  30   6.776  -4.285  -1.862
  249    HA   VAL  30           HA       VAL  30   7.291  -6.087   0.367
  250    HB   VAL  30           HB       VAL  30   6.065  -3.307   0.427
  251   1HG1  VAL  30          1HG1      VAL  30   6.678  -3.270   2.730
  252   2HG1  VAL  30          2HG1      VAL  30   7.669  -4.720   2.568
  253   3HG1  VAL  30          3HG1      VAL  30   5.911  -4.840   2.481
  254   1HG2  VAL  30          1HG2      VAL  30   8.456  -2.640   0.999
  255   2HG2  VAL  30          2HG2      VAL  30   8.198  -3.126  -0.676
  256   3HG2  VAL  30          3HG2      VAL  30   8.948  -4.246   0.459
  257    H    LEU  31           H        LEU  31   4.405  -4.659  -1.134
  258    HA   LEU  31           HA       LEU  31   2.519  -5.635   0.807
  259   1HB   LEU  31          2HB       LEU  31   2.055  -3.811  -0.851
  260   2HB   LEU  31          1HB       LEU  31   2.039  -5.028  -2.128
  261    HG   LEU  31           HG       LEU  31   0.231  -6.232  -0.814
  262   1HD1  LEU  31          1HD1      LEU  31   0.410  -3.660   0.773
  263   2HD1  LEU  31          2HD1      LEU  31   0.507  -5.315   1.377
  264   3HD1  LEU  31          3HD1      LEU  31  -1.028  -4.683   0.782
  265   1HD2  LEU  31          1HD2      LEU  31  -1.105  -3.708  -1.288
  266   2HD2  LEU  31          2HD2      LEU  31  -1.172  -5.192  -2.239
  267   3HD2  LEU  31          3HD2      LEU  31   0.094  -4.004  -2.547
  268    H    SER  32           H        SER  32   3.715  -6.969  -2.288
  269    HA   SER  32           HA       SER  32   2.015  -9.217  -2.485
  270   1HB   SER  32          2HB       SER  32   3.773 -10.236  -3.867
  271   2HB   SER  32          1HB       SER  32   3.575  -8.536  -4.272
  272    HG   SER  32           HG       SER  32   5.760  -9.010  -4.033
  273    H    LEU  33           H        LEU  33   4.666  -8.671  -0.261
  274    HA   LEU  33           HA       LEU  33   5.089 -11.469   0.399
  275   1HB   LEU  33          2HB       LEU  33   6.142  -8.885   1.235
  276   2HB   LEU  33          1HB       LEU  33   5.862  -9.938   2.618
  277    HG   LEU  33           HG       LEU  33   8.136 -10.245   1.710
  278   1HD1  LEU  33          1HD1      LEU  33   6.146 -12.496   1.494
  279   2HD1  LEU  33          2HD1      LEU  33   7.356 -12.202   2.743
  280   3HD1  LEU  33          3HD1      LEU  33   7.854 -12.773   1.152
  281   1HD2  LEU  33          1HD2      LEU  33   6.596 -10.487  -0.815
  282   2HD2  LEU  33          2HD2      LEU  33   7.927 -11.627  -0.625
  283   3HD2  LEU  33          3HD2      LEU  33   8.235  -9.893  -0.547
  284    H    GLN  34           H        GLN  34   2.978  -8.898   1.607
  285    HA   GLN  34           HA       GLN  34   2.064 -10.467   3.909
  286   1HB   GLN  34          2HB       GLN  34   1.250  -7.825   2.694
  287   2HB   GLN  34          1HB       GLN  34   0.318  -8.564   3.995
  288   1HG   GLN  34          2HG       GLN  34   1.778  -7.362   5.297
  289   2HG   GLN  34          1HG       GLN  34   2.781  -8.793   5.061
  290   1HE2  GLN  34          1HE2      GLN  34   2.063  -5.706   3.299
  291   2HE2  GLN  34          2HE2      GLN  34   3.673  -5.441   2.830
  292    H    ILE  35           H        ILE  35   0.626  -9.421   0.794
  293    HA   ILE  35           HA       ILE  35  -1.768 -11.055   1.257
  294    HB   ILE  35           HB       ILE  35  -2.317 -10.371  -1.139
  295   1HG1  ILE  35          2HG1      ILE  35   0.090  -8.567  -0.738
  296   2HG1  ILE  35          1HG1      ILE  35   0.059  -9.954  -1.822
  297   1HG2  ILE  35          1HG2      ILE  35  -3.469  -8.946   0.180
  298   2HG2  ILE  35          2HG2      ILE  35  -2.209  -7.778  -0.221
  299   3HG2  ILE  35          3HG2      ILE  35  -2.104  -8.712   1.271
  300   1HD1  ILE  35          1HD1      ILE  35  -1.541  -8.945  -3.245
  301   2HD1  ILE  35          2HD1      ILE  35  -0.436  -7.632  -2.841
  302   3HD1  ILE  35          3HD1      ILE  35  -1.995  -7.754  -2.028
  303    H    GLY  36           H        GLY  36   1.307 -11.479  -0.362
  304   1HA   GLY  36          2HA       GLY  36   2.214 -13.397  -1.381
  305   2HA   GLY  36          1HA       GLY  36   0.821 -14.300  -0.775
  306    H    THR  37           H        THR  37   0.911 -11.462  -2.903
  307    HA   THR  37           HA       THR  37  -0.552 -13.048  -4.975
  308    HB   THR  37           HB       THR  37  -0.661 -10.042  -4.671
  309    HG1  THR  37           HG1      THR  37  -2.331 -11.996  -3.465
  310   1HG2  THR  37          1HG2      THR  37  -1.961 -10.233  -6.488
  311   2HG2  THR  37          2HG2      THR  37  -3.095 -11.196  -5.541
  312   3HG2  THR  37          3HG2      THR  37  -1.807 -11.990  -6.448
  313    H    GLN  38           H        GLN  38   2.432 -11.663  -4.329
  314    HA   GLN  38           HA       GLN  38   4.296 -11.257  -5.671
  315   1HB   GLN  38          2HB       GLN  38   2.476 -12.335  -7.848
  316   2HB   GLN  38          1HB       GLN  38   4.181 -11.959  -8.078
  317   1HG   GLN  38          2HG       GLN  38   4.146 -13.533  -5.772
  318   2HG   GLN  38          1HG       GLN  38   2.959 -14.296  -6.831
  319   1HE2  GLN  38          1HE2      GLN  38   6.289 -12.893  -7.066
  320   2HE2  GLN  38          2HE2      GLN  38   6.856 -14.070  -8.150
  321    HA   PRO  39           HA       PRO  39   3.632  -7.188  -7.179
  322   1HB   PRO  39          2HB       PRO  39   5.987  -6.840  -8.570
  323   2HB   PRO  39          1HB       PRO  39   5.859  -6.782  -6.804
  324   1HG   PRO  39          2HG       PRO  39   6.974  -8.936  -8.536
  325   2HG   PRO  39          1HG       PRO  39   7.356  -8.537  -6.852
  326   1HD   PRO  39          2HD       PRO  39   5.703 -10.664  -7.715
  327   2HD   PRO  39          1HD       PRO  39   5.829 -10.048  -6.054
  328    H    ASN  40           H        ASN  40   3.258  -9.784  -9.173
  329    HA   ASN  40           HA       ASN  40   3.083  -8.164 -11.672
  330   1HB   ASN  40          2HB       ASN  40   3.554 -11.053 -11.083
  331   2HB   ASN  40          1HB       ASN  40   2.650 -10.668 -12.548
  332   1HD2  ASN  40          1HD2      ASN  40   5.816 -10.388 -10.985
  333   2HD2  ASN  40          2HD2      ASN  40   6.636  -9.813 -12.358
  334    H    LYS  41           H        LYS  41   1.164  -9.770  -9.251
  335    HA   LYS  41           HA       LYS  41  -1.276  -9.498 -10.962
  336   1HB   LYS  41          2HB       LYS  41  -0.335 -11.618  -9.321
  337   2HB   LYS  41          1HB       LYS  41  -1.762 -10.950  -8.529
  338   1HG   LYS  41          2HG       LYS  41  -2.930 -11.075 -10.778
  339   2HG   LYS  41          1HG       LYS  41  -1.556 -12.021 -11.354
  340   1HD   LYS  41          2HD       LYS  41  -2.089 -13.361  -9.076
  341   2HD   LYS  41          1HD       LYS  41  -3.708 -12.762  -9.437
  342   1HE   LYS  41          2HE       LYS  41  -2.089 -14.049 -11.621
  343   2HE   LYS  41          1HE       LYS  41  -2.920 -15.062 -10.448
  344   1HZ   LYS  41          1HZ       LYS  41  -4.289 -12.877 -11.906
  345   2HZ   LYS  41          2HZ       LYS  41  -4.989 -14.170 -11.047
  346   3HZ   LYS  41          3HZ       LYS  41  -4.194 -14.460 -12.520
  347    H    ILE  42           H        ILE  42   0.286  -7.611  -8.843
  348    HA   ILE  42           HA       ILE  42  -2.096  -6.974  -7.175
  349    HB   ILE  42           HB       ILE  42   0.809  -6.138  -6.949
  350   1HG1  ILE  42          2HG1      ILE  42  -0.912  -7.676  -4.991
  351   2HG1  ILE  42          1HG1      ILE  42  -0.001  -8.489  -6.263
  352   1HG2  ILE  42          1HG2      ILE  42  -1.474  -5.469  -5.073
  353   2HG2  ILE  42          2HG2      ILE  42  -0.858  -4.343  -6.281
  354   3HG2  ILE  42          3HG2      ILE  42   0.190  -4.895  -4.976
  355   1HD1  ILE  42          1HD1      ILE  42   1.109  -6.754  -4.041
  356   2HD1  ILE  42          2HD1      ILE  42   2.067  -7.319  -5.410
  357   3HD1  ILE  42          3HD1      ILE  42   1.373  -8.482  -4.280
  358    H    VAL  43           H        VAL  43  -3.277  -5.195  -7.528
  359    HA   VAL  43           HA       VAL  43  -2.239  -3.088  -9.390
  360    HB   VAL  43           HB       VAL  43  -5.108  -4.049  -9.062
  361   1HG1  VAL  43          1HG1      VAL  43  -5.740  -2.419 -10.625
  362   2HG1  VAL  43          2HG1      VAL  43  -4.092  -2.206 -11.215
  363   3HG1  VAL  43          3HG1      VAL  43  -4.557  -1.559  -9.641
  364   1HG2  VAL  43          1HG2      VAL  43  -4.677  -5.547 -10.687
  365   2HG2  VAL  43          2HG2      VAL  43  -2.972  -5.101 -10.624
  366   3HG2  VAL  43          3HG2      VAL  43  -4.061  -4.268 -11.734
  367    H    LEU  44           H        LEU  44  -1.749  -1.398  -8.028
  368    HA   LEU  44           HA       LEU  44  -3.505  -0.896  -5.681
  369   1HB   LEU  44          2HB       LEU  44  -0.755   0.114  -6.441
  370   2HB   LEU  44          1HB       LEU  44  -1.661   0.744  -5.063
  371    HG   LEU  44           HG       LEU  44  -1.452  -2.215  -5.269
  372   1HD1  LEU  44          1HD1      LEU  44   0.813  -1.785  -3.906
  373   2HD1  LEU  44          2HD1      LEU  44   0.885  -0.384  -4.975
  374   3HD1  LEU  44          3HD1      LEU  44   0.805  -2.010  -5.655
  375   1HD2  LEU  44          1HD2      LEU  44  -1.830  -2.097  -3.014
  376   2HD2  LEU  44          2HD2      LEU  44  -2.429  -0.488  -3.417
  377   3HD2  LEU  44          3HD2      LEU  44  -0.786  -0.690  -2.809
  378    H    GLN  45           H        GLN  45  -4.534   1.100  -5.361
  379    HA   GLN  45           HA       GLN  45  -4.444   3.056  -7.615
  380   1HB   GLN  45          2HB       GLN  45  -7.070   2.485  -6.279
  381   2HB   GLN  45          1HB       GLN  45  -6.755   3.103  -7.898
  382   1HG   GLN  45          2HG       GLN  45  -5.736   0.777  -8.385
  383   2HG   GLN  45          1HG       GLN  45  -6.549   0.258  -6.907
  384   1HE2  GLN  45          1HE2      GLN  45  -8.988   0.676  -6.840
  385   2HE2  GLN  45          2HE2      GLN  45  -9.848   0.622  -8.303
  386    H    LYS  46           H        LYS  46  -4.518   5.192  -6.944
  387    HA   LYS  46           HA       LYS  46  -4.250   5.701  -4.058
  388   1HB   LYS  46          2HB       LYS  46  -3.499   7.037  -6.525
  389   2HB   LYS  46          1HB       LYS  46  -4.310   8.160  -5.434
  390   1HG   LYS  46          2HG       LYS  46  -2.351   6.392  -4.115
  391   2HG   LYS  46          1HG       LYS  46  -1.649   7.502  -5.291
  392   1HD   LYS  46          2HD       LYS  46  -1.647   8.873  -3.431
  393   2HD   LYS  46          1HD       LYS  46  -3.248   9.248  -4.068
  394   1HE   LYS  46          2HE       LYS  46  -4.303   8.258  -2.320
  395   2HE   LYS  46          1HE       LYS  46  -3.203   6.881  -2.321
  396   1HZ   LYS  46          1HZ       LYS  46  -1.819   7.866  -0.853
  397   2HZ   LYS  46          2HZ       LYS  46  -3.233   8.692  -0.401
  398   3HZ   LYS  46          3HZ       LYS  46  -2.108   9.433  -1.435
  399    H    GLY  47           H        GLY  47  -6.327   7.037  -6.666
  400   1HA   GLY  47          2HA       GLY  47  -8.690   6.954  -4.945
  401   2HA   GLY  47          1HA       GLY  47  -8.098   8.590  -5.238
  402    H    GLY  48           H        GLY  48  -8.924   5.607  -7.032
  403   1HA   GLY  48          2HA       GLY  48 -10.422   5.468  -8.893
  404   2HA   GLY  48          1HA       GLY  48 -10.408   7.227  -9.011
  405    H    SER  49           H        SER  49  -7.270   5.908  -8.662
  406    HA   SER  49           HA       SER  49  -6.837   5.701 -11.594
  407   1HB   SER  49          2HB       SER  49  -6.123   7.987 -10.057
  408   2HB   SER  49          1HB       SER  49  -4.628   7.126 -10.417
  409    HG   SER  49           HG       SER  49  -5.492   8.691 -12.033
  410    H    VAL  50           H        VAL  50  -5.301   4.157 -12.098
  411    HA   VAL  50           HA       VAL  50  -4.334   2.465  -9.917
  412    HB   VAL  50           HB       VAL  50  -3.349   1.084 -11.739
  413   1HG1  VAL  50          1HG1      VAL  50  -5.704   0.774 -11.052
  414   2HG1  VAL  50          2HG1      VAL  50  -5.487   0.442 -12.771
  415   3HG1  VAL  50          3HG1      VAL  50  -6.206   1.966 -12.251
  416   1HG2  VAL  50          1HG2      VAL  50  -2.894   3.120 -13.224
  417   2HG2  VAL  50          2HG2      VAL  50  -4.604   3.073 -13.651
  418   3HG2  VAL  50          3HG2      VAL  50  -3.559   1.708 -14.041
  419    H    LEU  51           H        LEU  51  -2.122   2.039  -9.434
  420    HA   LEU  51           HA       LEU  51  -0.298   4.306 -10.097
  421   1HB   LEU  51          2HB       LEU  51   0.167   2.254  -7.926
  422   2HB   LEU  51          1HB       LEU  51   0.840   3.877  -8.059
  423    HG   LEU  51           HG       LEU  51  -2.099   3.265  -7.613
  424   1HD1  LEU  51          1HD1      LEU  51  -1.750   3.947  -5.320
  425   2HD1  LEU  51          2HD1      LEU  51  -0.065   4.354  -5.648
  426   3HD1  LEU  51          3HD1      LEU  51  -0.589   2.671  -5.688
  427   1HD2  LEU  51          1HD2      LEU  51  -1.114   5.494  -8.744
  428   2HD2  LEU  51          2HD2      LEU  51  -0.849   5.918  -7.053
  429   3HD2  LEU  51          3HD2      LEU  51  -2.475   5.539  -7.623
  430    H    LYS  52           H        LYS  52   1.476   3.920 -11.341
  431    HA   LYS  52           HA       LYS  52   2.017   1.103 -12.150
  432   1HB   LYS  52          2HB       LYS  52   1.580   3.150 -13.773
  433   2HB   LYS  52          1HB       LYS  52   3.287   3.469 -13.476
  434   1HG   LYS  52          2HG       LYS  52   3.683   1.981 -15.129
  435   2HG   LYS  52          1HG       LYS  52   3.265   0.747 -13.940
  436   1HD   LYS  52          2HD       LYS  52   0.870   1.905 -15.096
  437   2HD   LYS  52          1HD       LYS  52   1.927   1.276 -16.357
  438   1HE   LYS  52          2HE       LYS  52   1.496  -0.865 -15.779
  439   2HE   LYS  52          1HE       LYS  52   1.760  -0.533 -14.069
  440   1HZ   LYS  52          1HZ       LYS  52  -0.468  -1.109 -14.192
  441   2HZ   LYS  52          2HZ       LYS  52  -0.721  -0.265 -15.646
  442   3HZ   LYS  52          3HZ       LYS  52  -0.520   0.586 -14.190
  443    H    ASP  53           H        ASP  53   4.092   0.223 -11.987
  444    HA   ASP  53           HA       ASP  53   5.758   1.075  -9.828
  445   1HB   ASP  53          2HB       ASP  53   7.345  -0.624 -10.637
  446   2HB   ASP  53          1HB       ASP  53   5.699  -1.254 -10.662
  447    H    HIS  54           H        HIS  54   5.706   1.980 -13.204
  448    HA   HIS  54           HA       HIS  54   8.403   2.978 -13.394
  449   1HB   HIS  54          2HB       HIS  54   5.881   3.585 -14.956
  450   2HB   HIS  54          1HB       HIS  54   7.456   4.266 -15.365
  451    HD1  HIS  54           HD1      HIS  54   5.464   1.128 -15.530
  452    HD2  HIS  54           HD2      HIS  54   9.393   2.310 -16.257
  453    HE1  HIS  54           HE1      HIS  54   6.556  -0.765 -16.806
  454    H    ILE  55           H        ILE  55   5.630   4.207 -11.750
  455    HA   ILE  55           HA       ILE  55   6.803   6.957 -11.728
  456    HB   ILE  55           HB       ILE  55   4.009   6.005 -11.013
  457   1HG1  ILE  55          2HG1      ILE  55   3.726   7.834 -12.999
  458   2HG1  ILE  55          1HG1      ILE  55   5.297   7.163 -13.431
  459   1HG2  ILE  55          1HG2      ILE  55   4.017   8.784 -11.290
  460   2HG2  ILE  55          2HG2      ILE  55   5.472   8.445 -10.354
  461   3HG2  ILE  55          3HG2      ILE  55   3.901   7.893  -9.773
  462   1HD1  ILE  55          1HD1      ILE  55   4.440   5.044 -13.823
  463   2HD1  ILE  55          2HD1      ILE  55   3.069   6.039 -14.314
  464   3HD1  ILE  55          3HD1      ILE  55   3.080   5.276 -12.723
  465    H    SER  56           H        SER  56   7.371   7.899  -9.766
  466    HA   SER  56           HA       SER  56   7.920   6.080  -7.564
  467   1HB   SER  56          2HB       SER  56   8.997   8.491  -8.446
  468   2HB   SER  56          1HB       SER  56   8.209   8.911  -6.928
  469    HG   SER  56           HG       SER  56  10.067   8.139  -6.209
  470    H    LEU  57           H        LEU  57   7.085   6.262  -5.410
  471    HA   LEU  57           HA       LEU  57   4.271   6.675  -5.195
  472   1HB   LEU  57          2HB       LEU  57   6.431   6.549  -3.071
  473   2HB   LEU  57          1HB       LEU  57   4.708   6.590  -2.704
  474    HG   LEU  57           HG       LEU  57   5.868   4.532  -4.586
  475   1HD1  LEU  57          1HD1      LEU  57   5.530   4.321  -1.577
  476   2HD1  LEU  57          2HD1      LEU  57   7.065   4.331  -2.446
  477   3HD1  LEU  57          3HD1      LEU  57   5.945   2.985  -2.653
  478   1HD2  LEU  57          1HD2      LEU  57   3.815   3.290  -3.656
  479   2HD2  LEU  57          2HD2      LEU  57   3.491   4.657  -4.722
  480   3HD2  LEU  57          3HD2      LEU  57   3.324   4.843  -2.976
  481    H    GLU  58           H        GLU  58   7.027   8.802  -4.501
  482    HA   GLU  58           HA       GLU  58   5.673  10.905  -3.162
  483   1HB   GLU  58          2HB       GLU  58   8.247  10.478  -3.964
  484   2HB   GLU  58          1HB       GLU  58   7.749  11.721  -5.111
  485   1HG   GLU  58          2HG       GLU  58   7.770  13.324  -3.520
  486   2HG   GLU  58          1HG       GLU  58   6.843  12.323  -2.402
  487    H    ASP  59           H        ASP  59   5.950  10.184  -6.634
  488    HA   ASP  59           HA       ASP  59   4.788  12.629  -7.597
  489   1HB   ASP  59          2HB       ASP  59   4.887   9.843  -8.793
  490   2HB   ASP  59          1HB       ASP  59   4.281  11.254  -9.659
  491    H    TYR  60           H        TYR  60   3.359   9.442  -6.826
  492    HA   TYR  60           HA       TYR  60   0.642  10.255  -7.432
  493   1HB   TYR  60          2HB       TYR  60   1.842   7.934  -5.912
  494   2HB   TYR  60          1HB       TYR  60   0.098   8.166  -6.020
  495    HD1  TYR  60           HD1      TYR  60   2.694   6.405  -7.439
  496    HD2  TYR  60           HD2      TYR  60  -0.607   8.897  -8.606
  497    HE1  TYR  60           HE1      TYR  60   2.689   5.350  -9.683
  498    HE2  TYR  60           HE2      TYR  60  -0.609   7.843 -10.850
  499    HH   TYR  60           HH       TYR  60   0.512   6.475 -12.251
  500    H    GLU  61           H        GLU  61   2.738  10.798  -4.748
  501    HA   GLU  61           HA       GLU  61   2.418  12.030  -2.793
  502   1HB   GLU  61          2HB       GLU  61   0.542  13.114  -4.383
  503   2HB   GLU  61          1HB       GLU  61  -0.523  12.338  -3.212
  504   1HG   GLU  61          2HG       GLU  61   1.808  14.049  -2.334
  505   2HG   GLU  61          1HG       GLU  61   0.234  14.754  -2.699
  506    H    VAL  62           H        VAL  62   2.817   9.846  -1.900
  507    HA   VAL  62           HA       VAL  62   0.392   8.555  -0.735
  508    HB   VAL  62           HB       VAL  62   3.251   7.560  -0.996
  509   1HG1  VAL  62          1HG1      VAL  62   2.004   5.352  -0.330
  510   2HG1  VAL  62          2HG1      VAL  62   0.809   6.446   0.366
  511   3HG1  VAL  62          3HG1      VAL  62   2.478   6.484   0.937
  512   1HG2  VAL  62          1HG2      VAL  62   2.609   6.690  -2.976
  513   2HG2  VAL  62          2HG2      VAL  62   1.121   7.625  -2.843
  514   3HG2  VAL  62          3HG2      VAL  62   1.175   5.967  -2.246
  515    H    HIS  63           H        HIS  63  -0.090   9.319   1.255
  516    HA   HIS  63           HA       HIS  63   2.021  10.491   2.958
  517   1HB   HIS  63          2HB       HIS  63  -0.576  11.200   2.539
  518   2HB   HIS  63          1HB       HIS  63  -0.737  10.247   4.013
  519    HD1  HIS  63           HD1      HIS  63   1.384  13.119   2.672
  520    HD2  HIS  63           HD2      HIS  63  -0.025  11.633   6.301
  521    HE1  HIS  63           HE1      HIS  63   2.081  14.785   4.446
  522    H    ASP  64           H        ASP  64   2.113   9.858   5.294
  523    HA   ASP  64           HA       ASP  64   2.386   6.990   5.577
  524   1HB   ASP  64          2HB       ASP  64   3.013   7.471   7.899
  525   2HB   ASP  64          1HB       ASP  64   3.817   8.606   6.817
  526    H    GLN  65           H        GLN  65   1.030   5.531   6.613
  527    HA   GLN  65           HA       GLN  65  -0.973   4.644   7.437
  528   1HB   GLN  65          2HB       GLN  65  -0.707   7.277   8.801
  529   2HB   GLN  65          1HB       GLN  65  -2.306   6.536   8.839
  530   1HG   GLN  65          2HG       GLN  65  -1.567   5.266  10.548
  531   2HG   GLN  65          1HG       GLN  65  -0.547   4.427   9.381
  532   1HE2  GLN  65          1HE2      GLN  65   1.667   5.541   8.969
  533   2HE2  GLN  65          2HE2      GLN  65   2.416   6.283  10.299
  534    H    THR  66           H        THR  66  -0.911   5.970   4.782
  535    HA   THR  66           HA       THR  66  -3.553   7.251   4.531
  536    HB   THR  66           HB       THR  66  -1.526   7.979   3.194
  537    HG1  THR  66           HG1      THR  66  -3.038   8.738   1.992
  538   1HG2  THR  66          1HG2      THR  66  -1.514   6.390   0.992
  539   2HG2  THR  66          2HG2      THR  66  -1.800   5.184   2.246
  540   3HG2  THR  66          3HG2      THR  66  -0.372   6.214   2.323
  541    H    ASN  67           H        ASN  67  -5.220   6.378   3.097
  542    HA   ASN  67           HA       ASN  67  -5.277   3.401   3.177
  543   1HB   ASN  67          2HB       ASN  67  -7.315   5.545   3.341
  544   2HB   ASN  67          1HB       ASN  67  -7.790   4.123   2.410
  545   1HD2  ASN  67          1HD2      ASN  67  -6.617   5.148   5.636
  546   2HD2  ASN  67          2HD2      ASN  67  -7.175   3.767   6.451
  547    H    LEU  68           H        LEU  68  -4.762   2.383   1.327
  548    HA   LEU  68           HA       LEU  68  -5.235   3.785  -1.274
  549   1HB   LEU  68          2HB       LEU  68  -3.187   1.749  -0.386
  550   2HB   LEU  68          1HB       LEU  68  -3.533   2.009  -2.095
  551    HG   LEU  68           HG       LEU  68  -3.147   4.511  -0.613
  552   1HD1  LEU  68          1HD1      LEU  68  -1.560   2.755   0.486
  553   2HD1  LEU  68          2HD1      LEU  68  -0.878   4.294  -0.042
  554   3HD1  LEU  68          3HD1      LEU  68  -0.668   2.851  -1.034
  555   1HD2  LEU  68          1HD2      LEU  68  -1.471   3.539  -2.909
  556   2HD2  LEU  68          2HD2      LEU  68  -2.105   5.155  -2.596
  557   3HD2  LEU  68          3HD2      LEU  68  -3.178   3.886  -3.185
  558    H    GLU  69           H        GLU  69  -5.565   2.092  -3.121
  559    HA   GLU  69           HA       GLU  69  -7.642   0.149  -2.201
  560   1HB   GLU  69          2HB       GLU  69  -7.190   1.506  -4.874
  561   2HB   GLU  69          1HB       GLU  69  -8.378   0.229  -4.620
  562   1HG   GLU  69          2HG       GLU  69  -9.781   1.954  -4.123
  563   2HG   GLU  69          1HG       GLU  69  -8.981   1.908  -2.552
  564    H    LEU  70           H        LEU  70  -7.406  -2.020  -2.704
  565    HA   LEU  70           HA       LEU  70  -4.965  -2.786  -4.256
  566   1HB   LEU  70          2HB       LEU  70  -4.656  -3.280  -1.871
  567   2HB   LEU  70          1HB       LEU  70  -6.177  -4.169  -1.840
  568    HG   LEU  70           HG       LEU  70  -5.286  -5.802  -3.440
  569   1HD1  LEU  70          1HD1      LEU  70  -2.789  -4.083  -3.321
  570   2HD1  LEU  70          2HD1      LEU  70  -3.811  -4.356  -4.732
  571   3HD1  LEU  70          3HD1      LEU  70  -2.866  -5.684  -4.059
  572   1HD2  LEU  70          1HD2      LEU  70  -3.627  -5.202  -0.989
  573   2HD2  LEU  70          2HD2      LEU  70  -3.308  -6.616  -1.992
  574   3HD2  LEU  70          3HD2      LEU  70  -4.869  -6.436  -1.195
  575    H    TYR  71           H        TYR  71  -5.344  -4.107  -5.962
  576    HA   TYR  71           HA       TYR  71  -7.856  -5.708  -6.037
  577   1HB   TYR  71          2HB       TYR  71  -6.963  -3.594  -7.965
  578   2HB   TYR  71          1HB       TYR  71  -7.812  -5.005  -8.594
  579    HD1  TYR  71           HD1      TYR  71  -8.076  -1.996  -6.505
  580    HD2  TYR  71           HD2      TYR  71 -10.130  -5.489  -7.930
  581    HE1  TYR  71           HE1      TYR  71 -10.232  -1.034  -5.752
  582    HE2  TYR  71           HE2      TYR  71 -12.287  -4.527  -7.177
  583    HH   TYR  71           HH       TYR  71 -12.752  -2.471  -5.092
  584    H    TYR  72           H        TYR  72  -7.664  -7.640  -7.279
  585    HA   TYR  72           HA       TYR  72  -4.844  -8.391  -7.883
  586   1HB   TYR  72          2HB       TYR  72  -7.308 -10.104  -7.441
  587   2HB   TYR  72          1HB       TYR  72  -5.709 -10.735  -7.828
  588    HD1  TYR  72           HD1      TYR  72  -7.434 -11.210  -5.268
  589    HD2  TYR  72           HD2      TYR  72  -4.216  -8.515  -6.183
  590    HE1  TYR  72           HE1      TYR  72  -6.826 -11.115  -2.867
  591    HE2  TYR  72           HE2      TYR  72  -3.612  -8.421  -3.782
  592    HH   TYR  72           HH       TYR  72  -5.390  -9.040  -1.413
  593    H    LEU  73           HN       LEU  73  -4.258  -8.292  -9.969
  594    HA   LEU  73           HA       LEU  73  -6.035  -9.360 -12.060
  595   1HB   LEU  73          2HB       LEU  73  -6.091  -6.617 -11.554
  596   2HB   LEU  73          1HB       LEU  73  -4.979  -6.768 -12.915
  597    HG   LEU  73           HG       LEU  73  -7.323  -8.483 -13.225
  598   1HD1  LEU  73          1HD1      LEU  73  -8.382  -6.650 -11.927
  599   2HD1  LEU  73          2HD1      LEU  73  -8.954  -6.688 -13.595
  600   3HD1  LEU  73          3HD1      LEU  73  -7.766  -5.483 -13.097
  601   1HD2  LEU  73          1HD2      LEU  73  -5.738  -7.916 -15.025
  602   2HD2  LEU  73          2HD2      LEU  73  -6.150  -6.209 -14.863
  603   3HD2  LEU  73          3HD2      LEU  73  -7.361  -7.359 -15.433
  Start of MODEL   17
    1    H    MET   1           1H       MET   1  11.264   6.015   6.028
    2    HA   MET   1           HA       MET   1   9.342   4.926   4.979
    3   1HB   MET   1          2HB       MET   1  10.795   4.157   7.288
    4   2HB   MET   1          1HB       MET   1   9.124   3.672   7.572
    5   1HG   MET   1          2HG       MET   1   9.284   1.995   6.075
    6   2HG   MET   1          1HG       MET   1   9.912   3.086   4.840
    7   1HE   MET   1          1HE       MET   1  10.539   0.128   5.200
    8   2HE   MET   1          2HE       MET   1  12.285  -0.065   5.109
    9   3HE   MET   1          3HE       MET   1  11.464   0.966   3.946
   10    H    ILE   2           H        ILE   2   7.130   4.760   4.859
   11    HA   ILE   2           HA       ILE   2   5.543   6.021   7.062
   12    HB   ILE   2           HB       ILE   2   3.892   6.679   5.292
   13   1HG1  ILE   2          2HG1      ILE   2   6.060   6.204   3.260
   14   2HG1  ILE   2          1HG1      ILE   2   4.954   4.893   3.672
   15   1HG2  ILE   2          1HG2      ILE   2   6.606   7.751   5.661
   16   2HG2  ILE   2          2HG2      ILE   2   5.054   8.587   5.683
   17   3HG2  ILE   2          3HG2      ILE   2   5.850   8.248   4.147
   18   1HD1  ILE   2          1HD1      ILE   2   3.173   5.903   2.664
   19   2HD1  ILE   2          2HD1      ILE   2   4.427   6.753   1.760
   20   3HD1  ILE   2          3HD1      ILE   2   3.678   7.516   3.161
   21    H    GLU   3           H        GLU   3   3.296   5.177   7.229
   22    HA   GLU   3           HA       GLU   3   3.182   2.282   6.475
   23   1HB   GLU   3          2HB       GLU   3   2.114   3.774   8.882
   24   2HB   GLU   3          1HB       GLU   3   1.582   2.146   8.468
   25   1HG   GLU   3          2HG       GLU   3   3.340   1.647   9.895
   26   2HG   GLU   3          1HG       GLU   3   4.193   1.680   8.354
   27    H    VAL   4           H        VAL   4   1.717   1.923   4.881
   28    HA   VAL   4           HA       VAL   4  -0.704   3.682   4.781
   29    HB   VAL   4           HB       VAL   4  -0.730   3.423   2.375
   30   1HG1  VAL   4          1HG1      VAL   4   2.177   3.893   3.033
   31   2HG1  VAL   4          2HG1      VAL   4   0.934   5.035   3.542
   32   3HG1  VAL   4          3HG1      VAL   4   1.176   4.701   1.827
   33   1HG2  VAL   4          1HG2      VAL   4  -0.014   1.357   1.702
   34   2HG2  VAL   4          2HG2      VAL   4   1.181   1.239   2.991
   35   3HG2  VAL   4          3HG2      VAL   4   1.538   2.177   1.542
   36    H    VAL   5           H        VAL   5  -2.705   2.659   4.155
   37    HA   VAL   5           HA       VAL   5  -2.718  -0.300   4.627
   38    HB   VAL   5           HB       VAL   5  -5.136   0.107   5.371
   39   1HG1  VAL   5          1HG1      VAL   5  -3.045  -0.227   6.846
   40   2HG1  VAL   5          2HG1      VAL   5  -4.465   0.491   7.607
   41   3HG1  VAL   5          3HG1      VAL   5  -3.115   1.514   7.117
   42   1HG2  VAL   5          1HG2      VAL   5  -5.159   2.459   4.357
   43   2HG2  VAL   5          2HG2      VAL   5  -4.167   2.957   5.729
   44   3HG2  VAL   5          3HG2      VAL   5  -5.791   2.324   5.998
   45    H    VAL   6           H        VAL   6  -3.666  -1.562   3.073
   46    HA   VAL   6           HA       VAL   6  -5.026  -0.140   0.820
   47    HB   VAL   6           HB       VAL   6  -4.249  -2.032  -0.623
   48   1HG1  VAL   6          1HG1      VAL   6  -2.659   0.069   0.575
   49   2HG1  VAL   6          2HG1      VAL   6  -2.641  -0.528  -1.082
   50   3HG1  VAL   6          3HG1      VAL   6  -1.638  -1.302   0.144
   51   1HG2  VAL   6          1HG2      VAL   6  -2.598  -3.596   0.196
   52   2HG2  VAL   6          2HG2      VAL   6  -3.965  -3.652   1.307
   53   3HG2  VAL   6          3HG2      VAL   6  -2.505  -2.768   1.750
   54    H    ASN   7           H        ASN   7  -7.071  -0.772   0.328
   55    HA   ASN   7           HA       ASN   7  -8.148  -3.181   1.739
   56   1HB   ASN   7          2HB       ASN   7 -10.388  -2.064   1.490
   57   2HB   ASN   7          1HB       ASN   7  -9.263  -1.167   2.506
   58   1HD2  ASN   7          1HD2      ASN   7  -8.421   0.873   1.684
   59   2HD2  ASN   7          2HD2      ASN   7  -9.073   1.616   0.304
   60    H    ASP   8           H        ASP   8  -8.964  -4.814   0.490
   61    HA   ASP   8           HA       ASP   8  -8.663  -4.632  -2.407
   62   1HB   ASP   8          2HB       ASP   8  -9.101  -6.757  -0.427
   63   2HB   ASP   8          1HB       ASP   8  -9.977  -7.011  -1.936
   64    H    ARG   9           H        ARG   9 -11.464  -5.365  -0.278
   65    HA   ARG   9           HA       ARG   9 -13.207  -4.119  -2.365
   66   1HB   ARG   9          2HB       ARG   9 -13.525  -6.744  -0.921
   67   2HB   ARG   9          1HB       ARG   9 -14.946  -5.866  -1.485
   68   1HG   ARG   9          2HG       ARG   9 -14.585  -6.933  -3.458
   69   2HG   ARG   9          1HG       ARG   9 -13.297  -5.751  -3.688
   70   1HD   ARG   9          2HD       ARG   9 -11.682  -7.290  -2.645
   71   2HD   ARG   9          1HD       ARG   9 -12.965  -8.470  -2.384
   72    HE   ARG   9           HE       ARG   9 -13.134  -8.689  -4.859
   73   1HH1  ARG   9          2HH1      ARG   9 -10.410  -9.665  -4.216
   74   2HH1  ARG   9          1HH1      ARG   9  -9.406  -8.747  -5.290
   75   1HH2  ARG   9          1HH2      ARG   9 -11.846  -6.362  -5.962
   76   2HH2  ARG   9          2HH2      ARG   9 -10.222  -6.873  -6.280
   77    H    LEU  10           H        LEU  10 -13.489  -5.377   0.998
   78    HA   LEU  10           HA       LEU  10 -14.176  -2.706   1.993
   79   1HB   LEU  10          2HB       LEU  10 -16.269  -4.244   0.999
   80   2HB   LEU  10          1HB       LEU  10 -16.317  -4.565   2.731
   81    HG   LEU  10           HG       LEU  10 -15.856  -1.740   2.182
   82   1HD1  LEU  10          1HD1      LEU  10 -17.328  -2.673   0.190
   83   2HD1  LEU  10          2HD1      LEU  10 -17.765  -1.162   0.986
   84   3HD1  LEU  10          3HD1      LEU  10 -18.605  -2.656   1.405
   85   1HD2  LEU  10          1HD2      LEU  10 -18.374  -2.401   3.448
   86   2HD2  LEU  10          2HD2      LEU  10 -16.941  -1.653   4.156
   87   3HD2  LEU  10          3HD2      LEU  10 -17.084  -3.410   4.103
   88    H    GLY  11           H        GLY  11 -14.793  -6.114   2.965
   89   1HA   GLY  11          2HA       GLY  11 -13.954  -5.597   5.703
   90   2HA   GLY  11          1HA       GLY  11 -14.356  -7.174   5.025
   91    H    LYS  12           H        LYS  12 -12.426  -6.994   2.820
   92    HA   LYS  12           HA       LYS  12 -10.088  -7.967   4.247
   93   1HB   LYS  12          2HB       LYS  12 -11.123  -8.134   1.588
   94   2HB   LYS  12          1HB       LYS  12  -9.483  -7.492   1.490
   95   1HG   LYS  12          2HG       LYS  12  -9.511  -9.596   3.435
   96   2HG   LYS  12          1HG       LYS  12 -10.279 -10.188   1.963
   97   1HD   LYS  12          2HD       LYS  12  -7.917  -8.616   1.337
   98   2HD   LYS  12          1HD       LYS  12  -7.520  -9.940   2.430
   99   1HE   LYS  12          2HE       LYS  12  -7.467 -11.238   0.575
  100   2HE   LYS  12          1HE       LYS  12  -9.225 -11.147   0.617
  101   1HZ   LYS  12          1HZ       LYS  12  -8.564 -10.476  -1.528
  102   2HZ   LYS  12          2HZ       LYS  12  -7.358  -9.443  -0.926
  103   3HZ   LYS  12          3HZ       LYS  12  -8.998  -9.052  -0.716
  104    H    LYS  13           H        LYS  13  -8.311  -6.831   4.846
  105    HA   LYS  13           HA       LYS  13  -7.542  -4.361   3.425
  106   1HB   LYS  13          2HB       LYS  13  -9.179  -4.152   5.666
  107   2HB   LYS  13          1HB       LYS  13  -7.559  -3.899   6.318
  108   1HG   LYS  13          2HG       LYS  13  -7.462  -2.403   4.022
  109   2HG   LYS  13          1HG       LYS  13  -9.144  -2.195   4.506
  110   1HD   LYS  13          2HD       LYS  13  -8.009  -1.834   6.903
  111   2HD   LYS  13          1HD       LYS  13  -6.649  -1.331   5.898
  112   1HE   LYS  13          2HE       LYS  13  -9.463  -0.260   5.573
  113   2HE   LYS  13          1HE       LYS  13  -8.214   0.547   6.520
  114   1HZ   LYS  13          1HZ       LYS  13  -7.360   1.389   4.678
  115   2HZ   LYS  13          2HZ       LYS  13  -8.638   0.717   3.785
  116   3HZ   LYS  13          3HZ       LYS  13  -7.188  -0.148   3.981
  117    H    VAL  14           H        VAL  14  -5.356  -4.422   3.227
  118    HA   VAL  14           HA       VAL  14  -3.793  -5.970   5.262
  119    HB   VAL  14           HB       VAL  14  -2.943  -5.397   2.410
  120   1HG1  VAL  14          1HG1      VAL  14  -2.001  -7.290   4.582
  121   2HG1  VAL  14          2HG1      VAL  14  -1.090  -5.979   3.828
  122   3HG1  VAL  14          3HG1      VAL  14  -1.491  -7.424   2.898
  123   1HG2  VAL  14          1HG2      VAL  14  -3.552  -8.062   2.453
  124   2HG2  VAL  14          2HG2      VAL  14  -4.646  -6.815   1.854
  125   3HG2  VAL  14          3HG2      VAL  14  -4.815  -7.417   3.502
  126    H    ARG  15           H        ARG  15  -1.888  -5.018   6.081
  127    HA   ARG  15           HA       ARG  15  -1.614  -2.098   5.521
  128   1HB   ARG  15          2HB       ARG  15  -0.521  -1.941   7.723
  129   2HB   ARG  15          1HB       ARG  15  -2.124  -2.655   7.870
  130   1HG   ARG  15          2HG       ARG  15  -1.288  -4.610   8.651
  131   2HG   ARG  15          1HG       ARG  15  -0.045  -4.666   7.404
  132   1HD   ARG  15          2HD       ARG  15   0.323  -2.608   9.513
  133   2HD   ARG  15          1HD       ARG  15   0.523  -4.285  10.023
  134    HE   ARG  15           HE       ARG  15   2.191  -4.445   8.067
  135   1HH1  ARG  15          2HH1      ARG  15   1.876  -1.668   7.046
  136   2HH1  ARG  15          1HH1      ARG  15   3.166  -0.824   7.831
  137   1HH2  ARG  15          1HH2      ARG  15   3.661  -3.283  10.242
  138   2HH2  ARG  15          2HH2      ARG  15   4.180  -1.741   9.650
  139    H    VAL  16           H        VAL  16   0.349  -1.283   4.842
  140    HA   VAL  16           HA       VAL  16   2.720  -3.061   4.796
  141    HB   VAL  16           HB       VAL  16   1.509  -3.498   2.681
  142   1HG1  VAL  16          1HG1      VAL  16   2.066  -0.675   1.817
  143   2HG1  VAL  16          2HG1      VAL  16   0.588  -1.038   2.706
  144   3HG1  VAL  16          3HG1      VAL  16   0.905  -1.829   1.164
  145   1HG2  VAL  16          1HG2      VAL  16   3.855  -1.822   1.862
  146   2HG2  VAL  16          2HG2      VAL  16   3.418  -3.456   1.363
  147   3HG2  VAL  16          3HG2      VAL  16   4.137  -3.183   2.949
  148    H    LYS  17           H        LYS  17   4.695  -1.898   4.721
  149    HA   LYS  17           HA       LYS  17   4.405   1.075   4.904
  150   1HB   LYS  17          2HB       LYS  17   6.353   1.067   6.418
  151   2HB   LYS  17          1HB       LYS  17   5.046   0.078   7.063
  152   1HG   LYS  17          2HG       LYS  17   6.169  -1.951   6.149
  153   2HG   LYS  17          1HG       LYS  17   7.505  -0.936   5.602
  154   1HD   LYS  17          2HD       LYS  17   8.289  -0.564   7.737
  155   2HD   LYS  17          1HD       LYS  17   6.684  -0.686   8.460
  156   1HE   LYS  17          2HE       LYS  17   7.463  -2.717   9.164
  157   2HE   LYS  17          1HE       LYS  17   6.967  -3.223   7.550
  158   1HZ   LYS  17          1HZ       LYS  17   9.452  -2.210   7.151
  159   2HZ   LYS  17          2HZ       LYS  17   9.076  -3.857   7.315
  160   3HZ   LYS  17          3HZ       LYS  17   9.604  -2.966   8.661
  161    H    CYS  18           H        CYS  18   6.042   2.360   3.920
  162    HA   CYS  18           HA       CYS  18   8.298   1.205   2.503
  163   1HB   CYS  18          2HB       CYS  18   5.784   1.220   1.136
  164   2HB   CYS  18          1HB       CYS  18   6.811   2.444   0.390
  165    HG   CYS  18           HG       CYS  18   7.122  -0.300  -0.331
  166    H    LEU  19           H        LEU  19   9.505   2.939   1.290
  167    HA   LEU  19           HA       LEU  19   9.270   5.508   2.707
  168   1HB   LEU  19          2HB       LEU  19  11.336   4.076   1.239
  169   2HB   LEU  19          1HB       LEU  19  11.226   5.752   0.707
  170    HG   LEU  19           HG       LEU  19  11.173   5.209   3.648
  171   1HD1  LEU  19          1HD1      LEU  19  13.821   5.509   2.269
  172   2HD1  LEU  19          2HD1      LEU  19  13.093   3.907   2.375
  173   3HD1  LEU  19          3HD1      LEU  19  13.458   4.809   3.845
  174   1HD2  LEU  19          1HD2      LEU  19  11.089   7.479   3.386
  175   2HD2  LEU  19          2HD2      LEU  19  11.779   7.417   1.766
  176   3HD2  LEU  19          3HD2      LEU  19  12.833   7.325   3.177
  177    H    ALA  20           H        ALA  20   8.740   7.490   1.722
  178    HA   ALA  20           HA       ALA  20   6.890   7.419  -0.468
  179   1HB   ALA  20          1HB       ALA  20   6.474   9.328   0.712
  180   2HB   ALA  20          2HB       ALA  20   7.645  10.035  -0.399
  181   3HB   ALA  20          3HB       ALA  20   8.158   9.510   1.203
  182    H    GLU  21           H        GLU  21  10.362   7.620  -0.374
  183    HA   GLU  21           HA       GLU  21  10.639   8.771  -3.051
  184   1HB   GLU  21          2HB       GLU  21  13.044   8.279  -2.756
  185   2HB   GLU  21          1HB       GLU  21  12.393   9.135  -1.359
  186   1HG   GLU  21          2HG       GLU  21  13.251   7.471  -0.092
  187   2HG   GLU  21          1HG       GLU  21  11.975   6.446  -0.745
  188    H    ASP  22           H        ASP  22  10.240   5.588  -1.685
  189    HA   ASP  22           HA       ASP  22  11.426   4.057  -3.797
  190   1HB   ASP  22          2HB       ASP  22   9.526   3.521  -1.567
  191   2HB   ASP  22          1HB       ASP  22   9.529   2.368  -2.901
  192    H    SER  23           H        SER  23  10.308   2.886  -5.513
  193    HA   SER  23           HA       SER  23   8.144   4.505  -6.708
  194   1HB   SER  23          2HB       SER  23  10.314   2.938  -7.719
  195   2HB   SER  23          1HB       SER  23   8.813   2.262  -8.342
  196    HG   SER  23           HG       SER  23   9.076   3.863  -9.717
  197    H    VAL  24           H        VAL  24   6.381   3.195  -7.890
  198    HA   VAL  24           HA       VAL  24   4.849   1.721  -5.974
  199    HB   VAL  24           HB       VAL  24   4.572   1.809  -8.995
  200   1HG1  VAL  24          1HG1      VAL  24   2.245   1.133  -8.588
  201   2HG1  VAL  24          2HG1      VAL  24   2.558   1.051  -6.856
  202   3HG1  VAL  24          3HG1      VAL  24   3.351  -0.081  -7.950
  203   1HG2  VAL  24          1HG2      VAL  24   3.455   3.507  -6.751
  204   2HG2  VAL  24          2HG2      VAL  24   2.744   3.481  -8.365
  205   3HG2  VAL  24          3HG2      VAL  24   4.400   4.038  -8.142
  206    H    GLY  25           H        GLY  25   7.198   0.715  -8.403
  207   1HA   GLY  25          2HA       GLY  25   6.557  -2.056  -8.571
  208   2HA   GLY  25          1HA       GLY  25   8.170  -1.382  -8.819
  209    H    ASP  26           H        ASP  26   8.782  -0.324  -6.365
  210    HA   ASP  26           HA       ASP  26   9.475  -2.644  -4.797
  211   1HB   ASP  26          2HB       ASP  26  10.742  -0.439  -4.880
  212   2HB   ASP  26          1HB       ASP  26   9.470   0.245  -3.869
  213    H    PHE  27           H        PHE  27   6.959  -0.157  -4.552
  214    HA   PHE  27           HA       PHE  27   5.890  -0.851  -2.005
  215   1HB   PHE  27          2HB       PHE  27   5.322   1.193  -3.368
  216   2HB   PHE  27          1HB       PHE  27   4.356   0.163  -4.420
  217    HD1  PHE  27           HD1      PHE  27   2.081   0.306  -4.006
  218    HD2  PHE  27           HD2      PHE  27   4.817   0.527  -0.704
  219    HE1  PHE  27           HE1      PHE  27   0.169   0.496  -2.437
  220    HE2  PHE  27           HE2      PHE  27   2.909   0.716   0.863
  221    HZ   PHE  27           HZ       PHE  27   0.585   0.699  -0.002
  222    H    LYS  28           H        LYS  28   5.168  -2.098  -5.269
  223    HA   LYS  28           HA       LYS  28   3.079  -3.910  -4.436
  224   1HB   LYS  28          2HB       LYS  28   4.799  -3.612  -6.884
  225   2HB   LYS  28          1HB       LYS  28   3.803  -5.056  -6.685
  226   1HG   LYS  28          2HG       LYS  28   1.924  -3.289  -6.101
  227   2HG   LYS  28          1HG       LYS  28   2.955  -2.204  -7.035
  228   1HD   LYS  28          2HD       LYS  28   2.826  -4.615  -8.504
  229   2HD   LYS  28          1HD       LYS  28   1.177  -4.273  -7.984
  230   1HE   LYS  28          2HE       LYS  28   2.938  -2.163  -9.239
  231   2HE   LYS  28          1HE       LYS  28   1.905  -3.219 -10.201
  232   1HZ   LYS  28          1HZ       LYS  28   0.091  -2.454  -8.550
  233   2HZ   LYS  28          2HZ       LYS  28   0.552  -1.420  -9.816
  234   3HZ   LYS  28          3HZ       LYS  28   1.142  -1.159  -8.245
  235    H    LYS  29           H        LYS  29   6.604  -4.201  -4.728
  236    HA   LYS  29           HA       LYS  29   6.736  -7.051  -4.423
  237   1HB   LYS  29          2HB       LYS  29   8.726  -4.830  -3.956
  238   2HB   LYS  29          1HB       LYS  29   9.132  -6.518  -3.631
  239   1HG   LYS  29          2HG       LYS  29   8.266  -6.980  -6.023
  240   2HG   LYS  29          1HG       LYS  29   8.385  -5.238  -6.258
  241   1HD   LYS  29          2HD       LYS  29  10.806  -5.541  -5.283
  242   2HD   LYS  29          1HD       LYS  29  10.579  -7.225  -5.754
  243   1HE   LYS  29          2HE       LYS  29  11.125  -6.664  -7.867
  244   2HE   LYS  29          1HE       LYS  29   9.673  -5.661  -7.940
  245   1HZ   LYS  29          1HZ       LYS  29  11.746  -4.434  -8.409
  246   2HZ   LYS  29          2HZ       LYS  29  12.277  -4.761  -6.830
  247   3HZ   LYS  29          3HZ       LYS  29  10.896  -3.808  -7.083
  248    H    VAL  30           H        VAL  30   6.872  -4.384  -2.033
  249    HA   VAL  30           HA       VAL  30   7.339  -6.105   0.239
  250    HB   VAL  30           HB       VAL  30   5.988  -3.383   0.212
  251   1HG1  VAL  30          1HG1      VAL  30   7.597  -3.858   2.517
  252   2HG1  VAL  30          2HG1      VAL  30   6.563  -5.270   2.299
  253   3HG1  VAL  30          3HG1      VAL  30   5.847  -3.666   2.442
  254   1HG2  VAL  30          1HG2      VAL  30   8.499  -2.855   0.999
  255   2HG2  VAL  30          2HG2      VAL  30   8.041  -2.840  -0.703
  256   3HG2  VAL  30          3HG2      VAL  30   8.838  -4.256  -0.016
  257    H    LEU  31           H        LEU  31   4.402  -4.956  -1.391
  258    HA   LEU  31           HA       LEU  31   2.563  -6.004   0.597
  259   1HB   LEU  31          2HB       LEU  31   2.372  -4.844  -2.142
  260   2HB   LEU  31          1HB       LEU  31   1.036  -5.871  -1.621
  261    HG   LEU  31           HG       LEU  31   2.007  -3.839   0.329
  262   1HD1  LEU  31          1HD1      LEU  31   0.736  -2.045  -0.729
  263   2HD1  LEU  31          2HD1      LEU  31   0.278  -3.112  -2.054
  264   3HD1  LEU  31          3HD1      LEU  31   1.960  -2.627  -1.855
  265   1HD2  LEU  31          1HD2      LEU  31  -0.824  -4.451  -0.514
  266   2HD2  LEU  31          2HD2      LEU  31  -0.237  -3.894   1.054
  267   3HD2  LEU  31          3HD2      LEU  31   0.057  -5.557   0.540
  268    H    SER  32           H        SER  32   3.685  -7.173  -2.596
  269    HA   SER  32           HA       SER  32   2.192  -9.554  -2.750
  270   1HB   SER  32          2HB       SER  32   3.986 -10.394  -4.235
  271   2HB   SER  32          1HB       SER  32   3.544  -8.736  -4.620
  272    HG   SER  32           HG       SER  32   5.808  -9.018  -4.515
  273    H    LEU  33           H        LEU  33   4.965  -8.855  -0.709
  274    HA   LEU  33           HA       LEU  33   5.632 -11.621  -0.142
  275   1HB   LEU  33          2HB       LEU  33   6.291  -8.974   1.139
  276   2HB   LEU  33          1HB       LEU  33   6.725 -10.484   1.938
  277    HG   LEU  33           HG       LEU  33   7.421 -10.092  -0.959
  278   1HD1  LEU  33          1HD1      LEU  33   8.329  -8.094   0.012
  279   2HD1  LEU  33          2HD1      LEU  33   9.665  -9.236  -0.118
  280   3HD1  LEU  33          3HD1      LEU  33   8.885  -8.965   1.440
  281   1HD2  LEU  33          1HD2      LEU  33   9.256 -11.616  -0.344
  282   2HD2  LEU  33          2HD2      LEU  33   7.703 -12.304   0.133
  283   3HD2  LEU  33          3HD2      LEU  33   8.748 -11.562   1.344
  284    H    GLN  34           H        GLN  34   3.451  -9.232   1.310
  285    HA   GLN  34           HA       GLN  34   2.794 -10.960   3.586
  286   1HB   GLN  34          2HB       GLN  34   1.640  -8.345   2.582
  287   2HB   GLN  34          1HB       GLN  34   1.051  -9.177   4.022
  288   1HG   GLN  34          2HG       GLN  34   3.215  -9.001   5.090
  289   2HG   GLN  34          1HG       GLN  34   3.944  -8.369   3.613
  290   1HE2  GLN  34          1HE2      GLN  34   3.006  -6.201   2.828
  291   2HE2  GLN  34          2HE2      GLN  34   2.481  -5.098   4.006
  292    H    ILE  35           H        ILE  35   0.961  -9.753   0.731
  293    HA   ILE  35           HA       ILE  35  -1.255 -11.583   1.281
  294    HB   ILE  35           HB       ILE  35  -2.044 -10.799  -1.038
  295   1HG1  ILE  35          2HG1      ILE  35   0.198  -8.795  -0.636
  296   2HG1  ILE  35          1HG1      ILE  35   0.252 -10.109  -1.808
  297   1HG2  ILE  35          1HG2      ILE  35  -1.905  -8.273   0.250
  298   2HG2  ILE  35          2HG2      ILE  35  -1.983  -9.498   1.516
  299   3HG2  ILE  35          3HG2      ILE  35  -3.234  -9.432   0.276
  300   1HD1  ILE  35          1HD1      ILE  35  -1.239  -9.086  -3.211
  301   2HD1  ILE  35          2HD1      ILE  35  -0.679  -7.630  -2.392
  302   3HD1  ILE  35          3HD1      ILE  35  -2.178  -8.406  -1.884
  303    H    GLY  36           H        GLY  36   1.686 -11.770  -0.593
  304   1HA   GLY  36          2HA       GLY  36   2.583 -13.580  -1.804
  305   2HA   GLY  36          1HA       GLY  36   1.273 -14.574  -1.160
  306    H    THR  37           H        THR  37   0.987 -11.598  -3.069
  307    HA   THR  37           HA       THR  37  -0.528 -13.150  -5.128
  308    HB   THR  37           HB       THR  37  -0.704 -10.162  -4.739
  309    HG1  THR  37           HG1      THR  37  -2.180 -12.170  -3.375
  310   1HG2  THR  37          1HG2      THR  37  -1.849 -11.976  -6.530
  311   2HG2  THR  37          2HG2      THR  37  -2.360 -10.312  -6.248
  312   3HG2  THR  37          3HG2      THR  37  -3.128 -11.631  -5.366
  313    H    GLN  38           H        GLN  38   2.445 -11.653  -4.653
  314    HA   GLN  38           HA       GLN  38   4.172 -11.075  -6.112
  315   1HB   GLN  38          2HB       GLN  38   2.263 -12.361  -8.074
  316   2HB   GLN  38          1HB       GLN  38   3.793 -11.658  -8.589
  317   1HG   GLN  38          2HG       GLN  38   4.602 -13.745  -8.142
  318   2HG   GLN  38          1HG       GLN  38   4.640 -13.150  -6.482
  319   1HE2  GLN  38          1HE2      GLN  38   2.585 -14.993  -8.782
  320   2HE2  GLN  38          2HE2      GLN  38   1.737 -15.841  -7.581
  321    HA   PRO  39           HA       PRO  39   3.148  -7.039  -7.494
  322   1HB   PRO  39          2HB       PRO  39   5.267  -6.562  -9.185
  323   2HB   PRO  39          1HB       PRO  39   5.391  -6.540  -7.418
  324   1HG   PRO  39          2HG       PRO  39   6.303  -8.638  -9.340
  325   2HG   PRO  39          1HG       PRO  39   6.962  -8.208  -7.753
  326   1HD   PRO  39          2HD       PRO  39   5.315 -10.424  -8.274
  327   2HD   PRO  39          1HD       PRO  39   5.620  -9.727  -6.669
  328    H    ASN  40           H        ASN  40   3.361  -9.665  -9.748
  329    HA   ASN  40           HA       ASN  40   2.530  -8.120 -12.095
  330   1HB   ASN  40          2HB       ASN  40   3.048 -11.018 -11.497
  331   2HB   ASN  40          1HB       ASN  40   2.128 -10.590 -12.939
  332   1HD2  ASN  40          1HD2      ASN  40   3.244  -9.338 -14.629
  333   2HD2  ASN  40          2HD2      ASN  40   4.937  -9.223 -14.653
  334    H    LYS  41           H        LYS  41   0.948  -9.832  -9.470
  335    HA   LYS  41           HA       LYS  41  -1.663  -9.574 -10.905
  336   1HB   LYS  41          2HB       LYS  41  -0.697 -11.846  -9.907
  337   2HB   LYS  41          1HB       LYS  41  -1.402 -11.211  -8.419
  338   1HG   LYS  41          2HG       LYS  41  -3.440 -11.854  -9.118
  339   2HG   LYS  41          1HG       LYS  41  -3.291 -10.787 -10.516
  340   1HD   LYS  41          2HD       LYS  41  -2.149 -12.539 -11.779
  341   2HD   LYS  41          1HD       LYS  41  -2.185 -13.606 -10.375
  342   1HE   LYS  41          2HE       LYS  41  -4.798 -12.477 -11.234
  343   2HE   LYS  41          1HE       LYS  41  -4.074 -13.669 -12.308
  344   1HZ   LYS  41          1HZ       LYS  41  -3.788 -15.108 -10.304
  345   2HZ   LYS  41          2HZ       LYS  41  -5.402 -14.832 -10.755
  346   3HZ   LYS  41          3HZ       LYS  41  -4.734 -13.997  -9.436
  347    H    ILE  42           H        ILE  42   0.016  -7.663  -8.965
  348    HA   ILE  42           HA       ILE  42  -2.236  -7.114  -7.082
  349    HB   ILE  42           HB       ILE  42   0.708  -6.419  -6.979
  350   1HG1  ILE  42          2HG1      ILE  42  -1.070  -7.691  -4.884
  351   2HG1  ILE  42          1HG1      ILE  42  -0.255  -8.646  -6.122
  352   1HG2  ILE  42          1HG2      ILE  42  -1.611  -5.260  -5.422
  353   2HG2  ILE  42          2HG2      ILE  42  -0.343  -4.392  -6.286
  354   3HG2  ILE  42          3HG2      ILE  42   0.036  -5.251  -4.792
  355   1HD1  ILE  42          1HD1      ILE  42   0.833  -7.489  -3.689
  356   2HD1  ILE  42          2HD1      ILE  42   1.732  -6.942  -5.105
  357   3HD1  ILE  42          3HD1      ILE  42   1.559  -8.667  -4.781
  358    H    VAL  43           H        VAL  43  -3.476  -5.378  -7.474
  359    HA   VAL  43           HA       VAL  43  -2.446  -3.237  -9.299
  360    HB   VAL  43           HB       VAL  43  -5.313  -4.188  -8.943
  361   1HG1  VAL  43          1HG1      VAL  43  -4.048  -2.064 -10.696
  362   2HG1  VAL  43          2HG1      VAL  43  -5.283  -1.834  -9.457
  363   3HG1  VAL  43          3HG1      VAL  43  -5.679  -2.688 -10.949
  364   1HG2  VAL  43          1HG2      VAL  43  -3.482  -4.456 -11.349
  365   2HG2  VAL  43          2HG2      VAL  43  -5.116  -5.099 -11.185
  366   3HG2  VAL  43          3HG2      VAL  43  -3.807  -5.761 -10.208
  367    H    LEU  44           H        LEU  44  -1.835  -1.672  -7.821
  368    HA   LEU  44           HA       LEU  44  -3.649  -1.073  -5.540
  369   1HB   LEU  44          2HB       LEU  44  -0.807  -0.248  -6.176
  370   2HB   LEU  44          1HB       LEU  44  -1.718   0.410  -4.815
  371    HG   LEU  44           HG       LEU  44  -1.723  -2.549  -5.064
  372   1HD1  LEU  44          1HD1      LEU  44   0.534  -2.609  -3.887
  373   2HD1  LEU  44          2HD1      LEU  44   0.750  -0.937  -4.405
  374   3HD1  LEU  44          3HD1      LEU  44   0.586  -2.217  -5.604
  375   1HD2  LEU  44          1HD2      LEU  44  -2.538  -2.184  -2.992
  376   2HD2  LEU  44          2HD2      LEU  44  -2.114  -0.475  -3.077
  377   3HD2  LEU  44          3HD2      LEU  44  -0.929  -1.650  -2.510
  378    H    GLN  45           H        GLN  45  -4.600   0.966  -5.267
  379    HA   GLN  45           HA       GLN  45  -4.241   2.926  -7.496
  380   1HB   GLN  45          2HB       GLN  45  -6.918   2.353  -6.208
  381   2HB   GLN  45          1HB       GLN  45  -6.596   3.283  -7.669
  382   1HG   GLN  45          2HG       GLN  45  -5.500   0.934  -8.412
  383   2HG   GLN  45          1HG       GLN  45  -6.720   0.332  -7.288
  384   1HE2  GLN  45          1HE2      GLN  45  -9.019   1.366  -7.672
  385   2HE2  GLN  45          2HE2      GLN  45  -9.478   1.582  -9.292
  386    H    LYS  46           H        LYS  46  -4.102   5.048  -6.836
  387    HA   LYS  46           HA       LYS  46  -3.752   5.613  -4.006
  388   1HB   LYS  46          2HB       LYS  46  -3.106   6.880  -6.480
  389   2HB   LYS  46          1HB       LYS  46  -4.062   8.023  -5.540
  390   1HG   LYS  46          2HG       LYS  46  -1.954   6.542  -4.055
  391   2HG   LYS  46          1HG       LYS  46  -1.395   7.740  -5.221
  392   1HD   LYS  46          2HD       LYS  46  -2.091   9.475  -3.940
  393   2HD   LYS  46          1HD       LYS  46  -3.633   8.697  -3.580
  394   1HE   LYS  46          2HE       LYS  46  -1.642   7.191  -2.234
  395   2HE   LYS  46          1HE       LYS  46  -1.285   8.886  -1.919
  396   1HZ   LYS  46          1HZ       LYS  46  -3.533   9.218  -1.174
  397   2HZ   LYS  46          2HZ       LYS  46  -2.841   7.932  -0.307
  398   3HZ   LYS  46          3HZ       LYS  46  -3.946   7.618  -1.559
  399    H    GLY  47           H        GLY  47  -6.078   6.857  -6.435
  400   1HA   GLY  47          2HA       GLY  47  -8.308   6.695  -4.569
  401   2HA   GLY  47          1HA       GLY  47  -7.775   8.357  -4.841
  402    H    GLY  48           H        GLY  48  -8.499   5.416  -6.755
  403   1HA   GLY  48          2HA       GLY  48 -10.220   5.349  -8.469
  404   2HA   GLY  48          1HA       GLY  48 -10.100   7.102  -8.616
  405    H    SER  49           H        SER  49  -6.959   6.206  -8.425
  406    HA   SER  49           HA       SER  49  -6.710   5.693 -11.363
  407   1HB   SER  49          2HB       SER  49  -4.614   7.080 -11.261
  408   2HB   SER  49          1HB       SER  49  -6.081   8.000 -10.953
  409    HG   SER  49           HG       SER  49  -4.123   8.149  -9.459
  410    H    VAL  50           H        VAL  50  -5.168   4.153 -11.952
  411    HA   VAL  50           HA       VAL  50  -4.233   2.372  -9.828
  412    HB   VAL  50           HB       VAL  50  -5.081   1.586 -12.076
  413   1HG1  VAL  50          1HG1      VAL  50  -3.851   1.881 -14.035
  414   2HG1  VAL  50          2HG1      VAL  50  -2.350   2.202 -13.166
  415   3HG1  VAL  50          3HG1      VAL  50  -3.610   3.434 -13.238
  416   1HG2  VAL  50          1HG2      VAL  50  -3.737  -0.314 -12.019
  417   2HG2  VAL  50          2HG2      VAL  50  -3.403   0.371 -10.429
  418   3HG2  VAL  50          3HG2      VAL  50  -2.260   0.613 -11.749
  419    H    LEU  51           H        LEU  51  -2.113   2.051  -9.154
  420    HA   LEU  51           HA       LEU  51  -0.192   4.202  -9.850
  421   1HB   LEU  51          2HB       LEU  51   0.245   2.014  -7.806
  422   2HB   LEU  51          1HB       LEU  51   1.005   3.602  -7.882
  423    HG   LEU  51           HG       LEU  51  -1.949   3.133  -7.368
  424   1HD1  LEU  51          1HD1      LEU  51  -0.315   2.395  -5.541
  425   2HD1  LEU  51          2HD1      LEU  51  -1.522   3.591  -5.070
  426   3HD1  LEU  51          3HD1      LEU  51   0.135   4.095  -5.401
  427   1HD2  LEU  51          1HD2      LEU  51  -1.032   5.332  -8.463
  428   2HD2  LEU  51          2HD2      LEU  51  -0.419   5.670  -6.845
  429   3HD2  LEU  51          3HD2      LEU  51  -2.148   5.452  -7.105
  430    H    LYS  52           H        LYS  52   1.729   3.804 -10.934
  431    HA   LYS  52           HA       LYS  52   2.148   1.002 -11.904
  432   1HB   LYS  52          2HB       LYS  52   1.947   3.536 -13.313
  433   2HB   LYS  52          1HB       LYS  52   3.487   2.745 -13.650
  434   1HG   LYS  52          2HG       LYS  52   1.885   0.604 -13.868
  435   2HG   LYS  52          1HG       LYS  52   0.717   1.855 -14.299
  436   1HD   LYS  52          2HD       LYS  52   1.871   2.473 -16.210
  437   2HD   LYS  52          1HD       LYS  52   3.429   1.965 -15.558
  438   1HE   LYS  52          2HE       LYS  52   2.518  -0.435 -15.684
  439   2HE   LYS  52          1HE       LYS  52   1.228   0.230 -16.687
  440   1HZ   LYS  52          1HZ       LYS  52   4.007  -0.216 -17.316
  441   2HZ   LYS  52          2HZ       LYS  52   3.433   1.310 -17.797
  442   3HZ   LYS  52          3HZ       LYS  52   2.666  -0.102 -18.348
  443    H    ASP  53           H        ASP  53   4.259   0.197 -11.916
  444    HA   ASP  53           HA       ASP  53   6.047   1.066  -9.891
  445   1HB   ASP  53          2HB       ASP  53   7.655  -0.521 -10.868
  446   2HB   ASP  53          1HB       ASP  53   6.042  -1.228 -10.796
  447    H    HIS  54           H        HIS  54   5.833   2.024 -13.269
  448    HA   HIS  54           HA       HIS  54   8.465   3.151 -13.510
  449   1HB   HIS  54          2HB       HIS  54   5.872   3.650 -14.978
  450   2HB   HIS  54          1HB       HIS  54   7.372   4.473 -15.402
  451    HD1  HIS  54           HD1      HIS  54   5.641   1.186 -15.623
  452    HD2  HIS  54           HD2      HIS  54   9.445   2.710 -16.399
  453    HE1  HIS  54           HE1      HIS  54   6.859  -0.578 -16.972
  454    H    ILE  55           H        ILE  55   5.752   4.243 -11.694
  455    HA   ILE  55           HA       ILE  55   6.868   7.019 -11.648
  456    HB   ILE  55           HB       ILE  55   4.082   6.014 -10.978
  457   1HG1  ILE  55          2HG1      ILE  55   3.781   7.911 -12.885
  458   2HG1  ILE  55          1HG1      ILE  55   5.377   7.308 -13.326
  459   1HG2  ILE  55          1HG2      ILE  55   4.987   7.943  -9.545
  460   2HG2  ILE  55          2HG2      ILE  55   3.495   8.262 -10.427
  461   3HG2  ILE  55          3HG2      ILE  55   5.027   8.889 -11.033
  462   1HD1  ILE  55          1HD1      ILE  55   3.981   5.882 -14.538
  463   2HD1  ILE  55          2HD1      ILE  55   2.754   5.846 -13.272
  464   3HD1  ILE  55          3HD1      ILE  55   4.256   4.947 -13.069
  465    H    SER  56           H        SER  56   7.408   7.933  -9.657
  466    HA   SER  56           HA       SER  56   7.997   6.068  -7.499
  467   1HB   SER  56          2HB       SER  56   8.946   8.051  -6.359
  468   2HB   SER  56          1HB       SER  56   9.546   7.898  -8.007
  469    HG   SER  56           HG       SER  56   8.777  10.043  -7.314
  470    H    LEU  57           H        LEU  57   7.187   6.219  -5.321
  471    HA   LEU  57           HA       LEU  57   4.357   6.572  -5.095
  472   1HB   LEU  57          2HB       LEU  57   6.535   6.395  -2.994
  473   2HB   LEU  57          1HB       LEU  57   4.817   6.442  -2.600
  474    HG   LEU  57           HG       LEU  57   5.915   4.419  -4.554
  475   1HD1  LEU  57          1HD1      LEU  57   5.779   4.252  -1.532
  476   2HD1  LEU  57          2HD1      LEU  57   7.200   4.039  -2.554
  477   3HD1  LEU  57          3HD1      LEU  57   5.912   2.836  -2.573
  478   1HD2  LEU  57          1HD2      LEU  57   3.764   3.498  -2.913
  479   2HD2  LEU  57          2HD2      LEU  57   3.741   3.828  -4.644
  480   3HD2  LEU  57          3HD2      LEU  57   3.338   5.105  -3.498
  481    H    GLU  58           H        GLU  58   7.082   8.734  -4.455
  482    HA   GLU  58           HA       GLU  58   5.679  10.781  -3.033
  483   1HB   GLU  58          2HB       GLU  58   8.291  10.397  -4.111
  484   2HB   GLU  58          1HB       GLU  58   7.692  11.935  -4.728
  485   1HG   GLU  58          2HG       GLU  58   7.444  12.851  -2.590
  486   2HG   GLU  58          1HG       GLU  58   7.351  11.269  -1.816
  487    H    ASP  59           H        ASP  59   6.019  10.087  -6.492
  488    HA   ASP  59           HA       ASP  59   4.899  12.545  -7.474
  489   1HB   ASP  59          2HB       ASP  59   5.948  10.206  -8.604
  490   2HB   ASP  59          1HB       ASP  59   4.262  10.218  -9.117
  491    H    TYR  60           H        TYR  60   3.460   9.417  -6.568
  492    HA   TYR  60           HA       TYR  60   0.757  10.173  -7.307
  493   1HB   TYR  60          2HB       TYR  60   1.949   7.925  -5.685
  494   2HB   TYR  60          1HB       TYR  60   0.205   8.142  -5.801
  495    HD1  TYR  60           HD1      TYR  60  -0.613   8.672  -8.336
  496    HD2  TYR  60           HD2      TYR  60   2.921   6.487  -7.239
  497    HE1  TYR  60           HE1      TYR  60  -0.605   7.569 -10.557
  498    HE2  TYR  60           HE2      TYR  60   2.928   5.385  -9.461
  499    HH   TYR  60           HH       TYR  60   1.284   6.477 -12.057
  500    H    GLU  61           H        GLU  61   2.765  10.889  -4.598
  501    HA   GLU  61           HA       GLU  61   2.347  12.286  -2.766
  502   1HB   GLU  61          2HB       GLU  61   0.448  13.166  -4.386
  503   2HB   GLU  61          1HB       GLU  61  -0.610  12.292  -3.279
  504   1HG   GLU  61          2HG       GLU  61   1.151  13.668  -1.599
  505   2HG   GLU  61          1HG       GLU  61   0.787  14.820  -2.882
  506    H    VAL  62           H        VAL  62   2.850   9.929  -2.009
  507    HA   VAL  62           HA       VAL  62   0.553   8.803  -0.476
  508    HB   VAL  62           HB       VAL  62   3.285   7.596  -1.040
  509   1HG1  VAL  62          1HG1      VAL  62   2.248   5.514  -0.229
  510   2HG1  VAL  62          2HG1      VAL  62   0.748   6.379   0.098
  511   3HG1  VAL  62          3HG1      VAL  62   2.201   6.754   1.023
  512   1HG2  VAL  62          1HG2      VAL  62   1.654   7.973  -3.010
  513   2HG2  VAL  62          2HG2      VAL  62   0.633   6.765  -2.232
  514   3HG2  VAL  62          3HG2      VAL  62   2.255   6.333  -2.771
  515    H    HIS  63           H        HIS  63   0.430   9.468   1.607
  516    HA   HIS  63           HA       HIS  63   2.951  10.295   2.993
  517   1HB   HIS  63          2HB       HIS  63   0.066  11.119   3.402
  518   2HB   HIS  63          1HB       HIS  63   1.356  11.538   4.528
  519    HD1  HIS  63           HD1      HIS  63   3.390  12.969   3.474
  520    HD2  HIS  63           HD2      HIS  63  -0.069  12.761   1.155
  521    HE1  HIS  63           HE1      HIS  63   3.567  14.817   1.752
  522    H    ASP  64           H        ASP  64   2.462  10.123   5.565
  523    HA   ASP  64           HA       ASP  64   2.334   7.281   6.127
  524   1HB   ASP  64          2HB       ASP  64   3.524   9.353   7.391
  525   2HB   ASP  64          1HB       ASP  64   2.057   9.234   8.360
  526    H    GLN  65           H        GLN  65   0.673   6.108   7.050
  527    HA   GLN  65           HA       GLN  65  -1.514   5.528   7.626
  528   1HB   GLN  65          2HB       GLN  65  -1.626   8.410   8.580
  529   2HB   GLN  65          1HB       GLN  65  -2.774   7.143   9.007
  530   1HG   GLN  65          2HG       GLN  65   0.199   7.000   9.582
  531   2HG   GLN  65          1HG       GLN  65  -1.009   7.523  10.753
  532   1HE2  GLN  65          1HE2      GLN  65   0.422   4.733   9.211
  533   2HE2  GLN  65          2HE2      GLN  65  -0.517   3.563  10.005
  534    H    THR  66           H        THR  66  -1.090   6.270   4.931
  535    HA   THR  66           HA       THR  66  -3.432   7.948   4.205
  536    HB   THR  66           HB       THR  66  -1.147   8.244   3.099
  537    HG1  THR  66           HG1      THR  66  -2.319   9.087   1.604
  538   1HG2  THR  66          1HG2      THR  66  -1.958   5.599   1.863
  539   2HG2  THR  66          2HG2      THR  66  -0.502   5.935   2.798
  540   3HG2  THR  66          3HG2      THR  66  -0.709   6.652   1.202
  541    H    ASN  67           H        ASN  67  -4.993   7.110   2.606
  542    HA   ASN  67           HA       ASN  67  -5.499   4.210   3.040
  543   1HB   ASN  67          2HB       ASN  67  -7.212   6.242   3.347
  544   2HB   ASN  67          1HB       ASN  67  -7.462   5.965   1.624
  545   1HD2  ASN  67          1HD2      ASN  67  -7.644   4.372   4.823
  546   2HD2  ASN  67          2HD2      ASN  67  -8.688   3.130   4.322
  547    H    LEU  68           H        LEU  68  -5.186   2.776   1.426
  548    HA   LEU  68           HA       LEU  68  -4.981   3.794  -1.383
  549   1HB   LEU  68          2HB       LEU  68  -3.081   2.221   0.239
  550   2HB   LEU  68          1HB       LEU  68  -3.395   1.549  -1.360
  551    HG   LEU  68           HG       LEU  68  -2.968   4.484  -1.263
  552   1HD1  LEU  68          1HD1      LEU  68  -0.528   4.262  -1.115
  553   2HD1  LEU  68          2HD1      LEU  68  -0.687   2.524  -0.857
  554   3HD1  LEU  68          3HD1      LEU  68  -1.281   3.653   0.360
  555   1HD2  LEU  68          1HD2      LEU  68  -1.292   3.240  -3.129
  556   2HD2  LEU  68          2HD2      LEU  68  -2.870   3.955  -3.458
  557   3HD2  LEU  68          3HD2      LEU  68  -2.739   2.233  -3.101
  558    H    GLU  69           H        GLU  69  -5.523   2.153  -3.025
  559    HA   GLU  69           HA       GLU  69  -7.551   0.208  -2.002
  560   1HB   GLU  69          2HB       GLU  69  -7.203   1.480  -4.734
  561   2HB   GLU  69          1HB       GLU  69  -8.414   0.256  -4.359
  562   1HG   GLU  69          2HG       GLU  69  -9.724   2.067  -3.889
  563   2HG   GLU  69          1HG       GLU  69  -8.875   2.026  -2.344
  564    H    LEU  70           H        LEU  70  -7.555  -1.948  -2.895
  565    HA   LEU  70           HA       LEU  70  -5.082  -2.735  -4.365
  566   1HB   LEU  70          2HB       LEU  70  -4.729  -3.216  -1.972
  567   2HB   LEU  70          1HB       LEU  70  -6.225  -4.145  -1.931
  568    HG   LEU  70           HG       LEU  70  -5.306  -5.750  -3.544
  569   1HD1  LEU  70          1HD1      LEU  70  -3.825  -3.946  -4.648
  570   2HD1  LEU  70          2HD1      LEU  70  -3.137  -5.560  -4.486
  571   3HD1  LEU  70          3HD1      LEU  70  -2.667  -4.287  -3.362
  572   1HD2  LEU  70          1HD2      LEU  70  -3.866  -6.854  -2.050
  573   2HD2  LEU  70          2HD2      LEU  70  -4.767  -5.778  -0.984
  574   3HD2  LEU  70          3HD2      LEU  70  -3.134  -5.348  -1.494
  575    H    TYR  71           H        TYR  71  -5.410  -4.318  -5.907
  576    HA   TYR  71           HA       TYR  71  -7.993  -5.780  -5.980
  577   1HB   TYR  71          2HB       TYR  71  -6.976  -3.903  -8.130
  578   2HB   TYR  71          1HB       TYR  71  -8.148  -5.176  -8.469
  579    HD1  TYR  71           HD1      TYR  71 -10.381  -5.156  -7.364
  580    HD2  TYR  71           HD2      TYR  71  -7.594  -1.917  -6.914
  581    HE1  TYR  71           HE1      TYR  71 -12.203  -3.706  -6.515
  582    HE2  TYR  71           HE2      TYR  71  -9.418  -0.467  -6.066
  583    HH   TYR  71           HH       TYR  71 -12.304  -0.697  -6.509
  584    H    TYR  72           H        TYR  72  -7.778  -7.813  -6.988
  585    HA   TYR  72           HA       TYR  72  -4.981  -8.562  -7.686
  586   1HB   TYR  72          2HB       TYR  72  -7.415 -10.266  -7.067
  587   2HB   TYR  72          1HB       TYR  72  -5.831 -10.910  -7.490
  588    HD1  TYR  72           HD1      TYR  72  -4.196  -8.725  -6.034
  589    HD2  TYR  72           HD2      TYR  72  -7.532 -11.151  -4.828
  590    HE1  TYR  72           HE1      TYR  72  -3.486  -8.525  -3.668
  591    HE2  TYR  72           HE2      TYR  72  -6.819 -10.950  -2.464
  592    HH   TYR  72           HH       TYR  72  -5.050  -8.779  -1.254
  593    H    LEU  73           HN       LEU  73  -4.561  -8.286  -9.820
  594    HA   LEU  73           HA       LEU  73  -6.371  -9.573 -11.788
  595   1HB   LEU  73          2HB       LEU  73  -6.443  -6.818 -11.399
  596   2HB   LEU  73          1HB       LEU  73  -5.356  -7.004 -12.773
  597    HG   LEU  73           HG       LEU  73  -7.678  -6.782 -13.547
  598   1HD1  LEU  73          1HD1      LEU  73  -6.875  -9.678 -13.881
  599   2HD1  LEU  73          2HD1      LEU  73  -6.001  -8.365 -14.669
  600   3HD1  LEU  73          3HD1      LEU  73  -7.704  -8.638 -15.038
  601   1HD2  LEU  73          1HD2      LEU  73  -9.419  -8.259 -12.877
  602   2HD2  LEU  73          2HD2      LEU  73  -8.600  -7.823 -11.378
  603   3HD2  LEU  73          3HD2      LEU  73  -8.285  -9.387 -12.132
  Start of MODEL   18
    1    H    MET   1           1H       MET   1  11.401   6.389   5.105
    2    HA   MET   1           HA       MET   1   9.421   5.139   4.443
    3   1HB   MET   1          2HB       MET   1  11.287   4.442   6.269
    4   2HB   MET   1          1HB       MET   1   9.844   4.332   7.277
    5   1HG   MET   1          2HG       MET   1   8.818   2.969   5.335
    6   2HG   MET   1          1HG       MET   1  10.471   2.827   4.734
    7   1HE   MET   1          1HE       MET   1  11.790   0.082   5.932
    8   2HE   MET   1          2HE       MET   1  10.908   0.886   4.637
    9   3HE   MET   1          3HE       MET   1  10.138  -0.411   5.542
   10    H    ILE   2           H        ILE   2   7.231   4.893   4.627
   11    HA   ILE   2           HA       ILE   2   5.875   6.154   6.977
   12    HB   ILE   2           HB       ILE   2   4.068   6.896   5.453
   13   1HG1  ILE   2          2HG1      ILE   2   5.885   6.253   3.131
   14   2HG1  ILE   2          1HG1      ILE   2   4.726   5.060   3.716
   15   1HG2  ILE   2          1HG2      ILE   2   5.232   8.775   4.535
   16   2HG2  ILE   2          2HG2      ILE   2   6.742   7.873   4.427
   17   3HG2  ILE   2          3HG2      ILE   2   6.099   8.330   6.004
   18   1HD1  ILE   2          1HD1      ILE   2   3.144   6.089   2.491
   19   2HD1  ILE   2          2HD1      ILE   2   4.254   7.394   2.074
   20   3HD1  ILE   2          3HD1      ILE   2   3.299   7.486   3.554
   21    H    GLU   3           H        GLU   3   3.658   5.273   7.338
   22    HA   GLU   3           HA       GLU   3   3.507   2.392   6.535
   23   1HB   GLU   3          2HB       GLU   3   3.650   3.416   9.079
   24   2HB   GLU   3          1HB       GLU   3   1.906   3.288   8.854
   25   1HG   GLU   3          2HG       GLU   3   3.786   1.010   8.199
   26   2HG   GLU   3          1HG       GLU   3   3.082   1.217   9.801
   27    H    VAL   4           H        VAL   4   2.012   2.199   4.923
   28    HA   VAL   4           HA       VAL   4  -0.410   3.950   5.017
   29    HB   VAL   4           HB       VAL   4  -0.646   3.456   2.609
   30   1HG1  VAL   4          1HG1      VAL   4   0.699   5.224   2.266
   31   2HG1  VAL   4          2HG1      VAL   4   2.121   4.194   2.410
   32   3HG1  VAL   4          3HG1      VAL   4   1.435   4.955   3.846
   33   1HG2  VAL   4          1HG2      VAL   4   0.448   1.162   2.817
   34   2HG2  VAL   4          2HG2      VAL   4   1.999   2.001   2.827
   35   3HG2  VAL   4          3HG2      VAL   4   0.942   2.118   1.421
   36    H    VAL   5           H        VAL   5  -2.481   2.957   4.399
   37    HA   VAL   5           HA       VAL   5  -2.615   0.068   5.181
   38    HB   VAL   5           HB       VAL   5  -4.865   2.091   5.374
   39   1HG1  VAL   5          1HG1      VAL   5  -4.709  -0.732   5.648
   40   2HG1  VAL   5          2HG1      VAL   5  -6.088   0.308   5.999
   41   3HG1  VAL   5          3HG1      VAL   5  -4.927  -0.074   7.269
   42   1HG2  VAL   5          1HG2      VAL   5  -4.112   2.830   7.385
   43   2HG2  VAL   5          2HG2      VAL   5  -2.543   2.201   6.880
   44   3HG2  VAL   5          3HG2      VAL   5  -3.606   1.217   7.884
   45    H    VAL   6           H        VAL   6  -3.484  -1.325   3.688
   46    HA   VAL   6           HA       VAL   6  -4.732  -0.109   1.253
   47    HB   VAL   6           HB       VAL   6  -3.967  -2.131   0.030
   48   1HG1  VAL   6          1HG1      VAL   6  -1.578  -0.988   1.461
   49   2HG1  VAL   6          2HG1      VAL   6  -2.565   0.032   0.414
   50   3HG1  VAL   6          3HG1      VAL   6  -1.759  -1.390  -0.247
   51   1HG2  VAL   6          1HG2      VAL   6  -2.214  -3.548   1.208
   52   2HG2  VAL   6          2HG2      VAL   6  -3.866  -3.782   1.780
   53   3HG2  VAL   6          3HG2      VAL   6  -2.737  -2.805   2.718
   54    H    ASN   7           H        ASN   7  -6.724  -0.853   0.611
   55    HA   ASN   7           HA       ASN   7  -7.925  -3.093   2.192
   56   1HB   ASN   7          2HB       ASN   7 -10.138  -1.756   1.756
   57   2HB   ASN   7          1HB       ASN   7  -9.079  -1.255   3.070
   58   1HD2  ASN   7          1HD2      ASN   7  -7.968   0.788   2.865
   59   2HD2  ASN   7          2HD2      ASN   7  -8.273   1.863   1.587
   60    H    ASP   8           H        ASP   8  -8.558  -4.735   0.901
   61    HA   ASP   8           HA       ASP   8  -8.713  -4.316  -2.015
   62   1HB   ASP   8          2HB       ASP   8  -7.620  -6.338  -0.775
   63   2HB   ASP   8          1HB       ASP   8  -9.274  -6.930  -0.623
   64    H    ARG   9           H        ARG   9 -10.591  -4.712  -3.257
   65    HA   ARG   9           HA       ARG   9 -13.093  -3.970  -2.052
   66   1HB   ARG   9          2HB       ARG   9 -12.506  -5.225  -4.750
   67   2HB   ARG   9          1HB       ARG   9 -14.067  -4.557  -4.275
   68   1HG   ARG   9          2HG       ARG   9 -11.500  -2.950  -4.208
   69   2HG   ARG   9          1HG       ARG   9 -12.580  -2.983  -5.600
   70   1HD   ARG   9          2HD       ARG   9 -14.194  -1.738  -4.557
   71   2HD   ARG   9          1HD       ARG   9 -13.859  -2.438  -2.974
   72    HE   ARG   9           HE       ARG   9 -12.643  -0.028  -4.071
   73   1HH1  ARG   9          2HH1      ARG   9 -13.300  -0.608  -1.155
   74   2HH1  ARG   9          1HH1      ARG   9 -11.715  -0.748  -0.472
   75   1HH2  ARG   9          1HH2      ARG   9 -10.135  -1.117  -3.544
   76   2HH2  ARG   9          2HH2      ARG   9  -9.920  -1.036  -1.828
   77    H    LEU  10           H        LEU  10 -11.712  -7.117  -2.981
   78    HA   LEU  10           HA       LEU  10 -14.059  -8.697  -2.583
   79   1HB   LEU  10          2HB       LEU  10 -11.139  -9.193  -2.740
   80   2HB   LEU  10          1HB       LEU  10 -12.067 -10.411  -1.867
   81    HG   LEU  10           HG       LEU  10 -13.506  -9.686  -4.246
   82   1HD1  LEU  10          1HD1      LEU  10 -11.993  -9.828  -5.953
   83   2HD1  LEU  10          2HD1      LEU  10 -10.963 -10.962  -5.080
   84   3HD1  LEU  10          3HD1      LEU  10 -10.870  -9.236  -4.728
   85   1HD2  LEU  10          1HD2      LEU  10 -13.337 -12.087  -4.670
   86   2HD2  LEU  10          2HD2      LEU  10 -13.639 -11.818  -2.954
   87   3HD2  LEU  10          3HD2      LEU  10 -12.016 -12.225  -3.510
   88    H    GLY  11           H        GLY  11 -11.401  -7.879  -0.313
   89   1HA   GLY  11          2HA       GLY  11 -12.610  -7.279   1.988
   90   2HA   GLY  11          1HA       GLY  11 -12.986  -9.000   1.933
   91    H    LYS  12           H        LYS  12 -10.095  -6.931   1.400
   92    HA   LYS  12           HA       LYS  12  -8.616  -8.626   3.345
   93   1HB   LYS  12          2HB       LYS  12  -8.238  -8.669   0.478
   94   2HB   LYS  12          1HB       LYS  12  -6.783  -8.056   1.263
   95   1HG   LYS  12          2HG       LYS  12  -7.435 -10.155   2.906
   96   2HG   LYS  12          1HG       LYS  12  -7.964 -10.760   1.335
   97   1HD   LYS  12          2HD       LYS  12  -5.568  -9.696   0.640
   98   2HD   LYS  12          1HD       LYS  12  -5.218 -10.162   2.301
   99   1HE   LYS  12          2HE       LYS  12  -5.268 -12.384   1.813
  100   2HE   LYS  12          1HE       LYS  12  -6.678 -12.212   0.770
  101   1HZ   LYS  12          1HZ       LYS  12  -5.022 -11.074  -0.819
  102   2HZ   LYS  12          2HZ       LYS  12  -5.015 -12.768  -0.708
  103   3HZ   LYS  12          3HZ       LYS  12  -3.829 -11.855   0.099
  104    H    LYS  13           H        LYS  13  -8.339  -6.979   4.829
  105    HA   LYS  13           HA       LYS  13  -7.189  -4.394   3.869
  106   1HB   LYS  13          2HB       LYS  13  -8.890  -5.205   6.183
  107   2HB   LYS  13          1HB       LYS  13  -7.719  -3.920   6.474
  108   1HG   LYS  13          2HG       LYS  13  -9.155  -2.473   5.513
  109   2HG   LYS  13          1HG       LYS  13  -8.903  -3.313   3.985
  110   1HD   LYS  13          2HD       LYS  13 -10.672  -4.993   5.255
  111   2HD   LYS  13          1HD       LYS  13 -11.208  -3.413   5.824
  112   1HE   LYS  13          2HE       LYS  13 -12.300  -3.204   3.856
  113   2HE   LYS  13          1HE       LYS  13 -10.715  -3.014   3.107
  114   1HZ   LYS  13          1HZ       LYS  13 -10.609  -5.292   2.614
  115   2HZ   LYS  13          2HZ       LYS  13 -12.176  -4.812   2.166
  116   3HZ   LYS  13          3HZ       LYS  13 -11.927  -5.670   3.612
  117    H    VAL  14           H        VAL  14  -5.002  -4.241   4.056
  118    HA   VAL  14           HA       VAL  14  -3.673  -5.468   6.426
  119    HB   VAL  14           HB       VAL  14  -1.787  -5.744   4.373
  120   1HG1  VAL  14          1HG1      VAL  14  -3.528  -8.033   5.225
  121   2HG1  VAL  14          2HG1      VAL  14  -2.550  -7.197   6.429
  122   3HG1  VAL  14          3HG1      VAL  14  -1.775  -7.969   5.046
  123   1HG2  VAL  14          1HG2      VAL  14  -4.393  -5.851   3.170
  124   2HG2  VAL  14          2HG2      VAL  14  -3.741  -7.485   3.209
  125   3HG2  VAL  14          3HG2      VAL  14  -2.834  -6.193   2.426
  126    H    ARG  15           H        ARG  15  -1.276  -4.654   6.497
  127    HA   ARG  15           HA       ARG  15  -1.196  -1.774   5.668
  128   1HB   ARG  15          2HB       ARG  15  -0.808  -3.043   8.338
  129   2HB   ARG  15          1HB       ARG  15   0.269  -1.710   7.924
  130   1HG   ARG  15          2HG       ARG  15  -1.599  -0.229   7.530
  131   2HG   ARG  15          1HG       ARG  15  -2.748  -1.560   7.686
  132   1HD   ARG  15          2HD       ARG  15  -1.423  -1.768  10.061
  133   2HD   ARG  15          1HD       ARG  15  -1.342  -0.028   9.796
  134    HE   ARG  15           HE       ARG  15  -3.961  -0.417   9.357
  135   1HH1  ARG  15          1HH2      ARG  15  -2.691   0.270  12.129
  136   2HH1  ARG  15          2HH2      ARG  15  -3.564  -0.836  13.138
  137   1HH2  ARG  15          2HH1      ARG  15  -4.750  -2.739  10.476
  138   2HH2  ARG  15          1HH1      ARG  15  -4.735  -2.545  12.198
  139    H    VAL  16           H        VAL  16   0.705  -1.121   4.727
  140    HA   VAL  16           HA       VAL  16   3.111  -2.858   4.978
  141    HB   VAL  16           HB       VAL  16   1.941  -3.490   2.890
  142   1HG1  VAL  16          1HG1      VAL  16   1.536  -0.659   2.713
  143   2HG1  VAL  16          2HG1      VAL  16   0.884  -1.924   1.676
  144   3HG1  VAL  16          3HG1      VAL  16   2.438  -1.184   1.292
  145   1HG2  VAL  16          1HG2      VAL  16   4.504  -1.911   2.502
  146   2HG2  VAL  16          2HG2      VAL  16   3.840  -3.042   1.323
  147   3HG2  VAL  16          3HG2      VAL  16   4.373  -3.624   2.900
  148    H    LYS  17           H        LYS  17   4.976  -1.669   5.228
  149    HA   LYS  17           HA       LYS  17   4.704   1.292   5.038
  150   1HB   LYS  17          2HB       LYS  17   6.621   1.404   6.565
  151   2HB   LYS  17          1HB       LYS  17   5.361   0.375   7.244
  152   1HG   LYS  17          2HG       LYS  17   6.883  -1.409   5.765
  153   2HG   LYS  17          1HG       LYS  17   8.096  -0.318   6.429
  154   1HD   LYS  17          2HD       LYS  17   7.927  -1.381   8.406
  155   2HD   LYS  17          1HD       LYS  17   6.251  -0.845   8.522
  156   1HE   LYS  17          2HE       LYS  17   6.749  -3.159   6.730
  157   2HE   LYS  17          1HE       LYS  17   6.960  -3.463   8.453
  158   1HZ   LYS  17          1HZ       LYS  17   4.771  -3.003   8.896
  159   2HZ   LYS  17          2HZ       LYS  17   4.631  -3.699   7.354
  160   3HZ   LYS  17          3HZ       LYS  17   4.574  -2.013   7.532
  161    H    CYS  18           H        CYS  18   5.953   2.464   3.628
  162    HA   CYS  18           HA       CYS  18   8.358   1.274   2.395
  163   1HB   CYS  18          2HB       CYS  18   5.820   1.226   1.064
  164   2HB   CYS  18          1HB       CYS  18   6.858   2.381   0.229
  165    HG   CYS  18           HG       CYS  18   7.451  -0.658   0.537
  166    H    LEU  19           H        LEU  19   9.617   2.924   1.192
  167    HA   LEU  19           HA       LEU  19   9.380   5.560   2.445
  168   1HB   LEU  19          2HB       LEU  19  11.335   4.260   0.563
  169   2HB   LEU  19          1HB       LEU  19  11.360   6.009   0.774
  170    HG   LEU  19           HG       LEU  19  11.162   4.858   3.370
  171   1HD1  LEU  19          1HD1      LEU  19  13.335   3.635   1.641
  172   2HD1  LEU  19          2HD1      LEU  19  12.013   2.766   2.422
  173   3HD1  LEU  19          3HD1      LEU  19  13.266   3.529   3.401
  174   1HD2  LEU  19          1HD2      LEU  19  12.222   6.998   2.860
  175   2HD2  LEU  19          2HD2      LEU  19  13.440   6.192   1.872
  176   3HD2  LEU  19          3HD2      LEU  19  13.409   5.936   3.616
  177    H    ALA  20           H        ALA  20   8.970   7.535   1.335
  178    HA   ALA  20           HA       ALA  20   7.016   7.426  -0.771
  179   1HB   ALA  20          1HB       ALA  20   6.974   9.774  -0.651
  180   2HB   ALA  20          2HB       ALA  20   8.678   9.876  -0.208
  181   3HB   ALA  20          3HB       ALA  20   7.492   9.314   0.971
  182    H    GLU  21           H        GLU  21  10.498   7.479  -0.783
  183    HA   GLU  21           HA       GLU  21  10.745   8.393  -3.554
  184   1HB   GLU  21          2HB       GLU  21  13.140   7.826  -3.272
  185   2HB   GLU  21          1HB       GLU  21  12.556   8.840  -1.954
  186   1HG   GLU  21          2HG       GLU  21  13.426   7.272  -0.568
  187   2HG   GLU  21          1HG       GLU  21  12.049   6.273  -1.029
  188    H    ASP  22           H        ASP  22  10.236   5.356  -1.928
  189    HA   ASP  22           HA       ASP  22  11.348   3.598  -3.893
  190   1HB   ASP  22          2HB       ASP  22   9.480   3.355  -1.608
  191   2HB   ASP  22          1HB       ASP  22   9.286   2.137  -2.868
  192    H    SER  23           H        SER  23  10.336   2.514  -5.641
  193    HA   SER  23           HA       SER  23   8.257   4.074  -6.981
  194   1HB   SER  23          2HB       SER  23   8.597   2.492  -8.845
  195   2HB   SER  23          1HB       SER  23  10.132   3.134  -8.268
  196    HG   SER  23           HG       SER  23  10.152   0.844  -8.551
  197    H    VAL  24           H        VAL  24   6.305   2.992  -7.919
  198    HA   VAL  24           HA       VAL  24   4.727   1.702  -5.912
  199    HB   VAL  24           HB       VAL  24   4.332   1.795  -8.922
  200   1HG1  VAL  24          1HG1      VAL  24   2.488   1.001  -6.655
  201   2HG1  VAL  24          2HG1      VAL  24   2.952   0.032  -8.054
  202   3HG1  VAL  24          3HG1      VAL  24   1.904   1.435  -8.261
  203   1HG2  VAL  24          1HG2      VAL  24   2.604   3.568  -8.123
  204   2HG2  VAL  24          2HG2      VAL  24   4.304   4.028  -8.156
  205   3HG2  VAL  24          3HG2      VAL  24   3.540   3.589  -6.629
  206    H    GLY  25           H        GLY  25   6.741   0.438  -8.535
  207   1HA   GLY  25          2HA       GLY  25   5.868  -2.277  -8.510
  208   2HA   GLY  25          1HA       GLY  25   7.486  -1.745  -8.977
  209    H    ASP  26           H        ASP  26   8.430  -0.629  -6.630
  210    HA   ASP  26           HA       ASP  26   9.199  -2.930  -5.084
  211   1HB   ASP  26          2HB       ASP  26  10.465  -0.706  -5.334
  212   2HB   ASP  26          1HB       ASP  26   9.347  -0.058  -4.135
  213    H    PHE  27           H        PHE  27   6.762  -0.391  -4.637
  214    HA   PHE  27           HA       PHE  27   5.950  -1.021  -1.976
  215   1HB   PHE  27          2HB       PHE  27   5.269   1.019  -3.279
  216   2HB   PHE  27          1HB       PHE  27   4.214  -0.003  -4.252
  217    HD1  PHE  27           HD1      PHE  27   4.683   1.647  -1.024
  218    HD2  PHE  27           HD2      PHE  27   2.262  -1.142  -3.217
  219    HE1  PHE  27           HE1      PHE  27   2.900   1.848   0.684
  220    HE2  PHE  27           HE2      PHE  27   0.482  -0.942  -1.508
  221    HZ   PHE  27           HZ       PHE  27   0.799   0.553   0.442
  222    H    LYS  28           H        LYS  28   4.876  -2.283  -5.134
  223    HA   LYS  28           HA       LYS  28   2.843  -4.037  -4.067
  224   1HB   LYS  28          2HB       LYS  28   4.342  -3.950  -6.695
  225   2HB   LYS  28          1HB       LYS  28   3.135  -5.187  -6.345
  226   1HG   LYS  28          2HG       LYS  28   1.383  -3.620  -6.209
  227   2HG   LYS  28          1HG       LYS  28   2.490  -2.268  -5.971
  228   1HD   LYS  28          2HD       LYS  28   3.277  -2.452  -8.274
  229   2HD   LYS  28          1HD       LYS  28   2.281  -3.887  -8.528
  230   1HE   LYS  28          2HE       LYS  28   0.251  -2.618  -8.274
  231   2HE   LYS  28          1HE       LYS  28   1.140  -1.197  -7.732
  232   1HZ   LYS  28          1HZ       LYS  28   2.280  -1.276  -9.962
  233   2HZ   LYS  28          2HZ       LYS  28   0.641  -0.831  -9.981
  234   3HZ   LYS  28          3HZ       LYS  28   1.101  -2.401 -10.436
  235    H    LYS  29           H        LYS  29   6.322  -4.344  -4.564
  236    HA   LYS  29           HA       LYS  29   6.463  -7.219  -4.311
  237   1HB   LYS  29          2HB       LYS  29   8.481  -4.997  -3.944
  238   2HB   LYS  29          1HB       LYS  29   8.902  -6.687  -3.666
  239   1HG   LYS  29          2HG       LYS  29   8.134  -7.225  -5.977
  240   2HG   LYS  29          1HG       LYS  29   7.825  -5.510  -6.246
  241   1HD   LYS  29          2HD       LYS  29  10.305  -5.198  -5.482
  242   2HD   LYS  29          1HD       LYS  29  10.459  -6.911  -5.867
  243   1HE   LYS  29          2HE       LYS  29   9.829  -6.553  -8.147
  244   2HE   LYS  29          1HE       LYS  29   9.296  -4.907  -7.809
  245   1HZ   LYS  29          1HZ       LYS  29  11.406  -4.739  -8.801
  246   2HZ   LYS  29          2HZ       LYS  29  12.070  -5.950  -7.810
  247   3HZ   LYS  29          3HZ       LYS  29  11.652  -4.439  -7.152
  248    H    VAL  30           H        VAL  30   6.772  -4.528  -1.980
  249    HA   VAL  30           HA       VAL  30   7.279  -6.267   0.294
  250    HB   VAL  30           HB       VAL  30   6.230  -3.414   0.278
  251   1HG1  VAL  30          1HG1      VAL  30   7.282  -3.368   2.546
  252   2HG1  VAL  30          2HG1      VAL  30   7.622  -5.091   2.391
  253   3HG1  VAL  30          3HG1      VAL  30   5.953  -4.522   2.438
  254   1HG2  VAL  30          1HG2      VAL  30   8.339  -3.532  -0.947
  255   2HG2  VAL  30          2HG2      VAL  30   9.062  -4.510   0.328
  256   3HG2  VAL  30          3HG2      VAL  30   8.642  -2.826   0.640
  257    H    LEU  31           H        LEU  31   4.405  -4.865  -1.214
  258    HA   LEU  31           HA       LEU  31   2.575  -5.602   0.908
  259   1HB   LEU  31          2HB       LEU  31   2.126  -3.814  -0.799
  260   2HB   LEU  31          1HB       LEU  31   1.957  -5.079  -2.016
  261    HG   LEU  31           HG       LEU  31   0.178  -6.114  -0.510
  262   1HD1  LEU  31          1HD1      LEU  31   0.042  -3.369   0.733
  263   2HD1  LEU  31          2HD1      LEU  31   0.999  -4.652   1.472
  264   3HD1  LEU  31          3HD1      LEU  31  -0.740  -4.856   1.266
  265   1HD2  LEU  31          1HD2      LEU  31  -1.524  -4.293  -1.151
  266   2HD2  LEU  31          2HD2      LEU  31  -0.575  -4.985  -2.465
  267   3HD2  LEU  31          3HD2      LEU  31  -0.152  -3.404  -1.811
  268    H    SER  32           H        SER  32   3.466  -7.083  -2.224
  269    HA   SER  32           HA       SER  32   1.665  -9.253  -2.220
  270   1HB   SER  32          2HB       SER  32   3.297 -10.396  -3.682
  271   2HB   SER  32          1HB       SER  32   3.085  -8.712  -4.147
  272    HG   SER  32           HG       SER  32   5.309  -9.480  -3.989
  273    H    LEU  33           H        LEU  33   4.398  -8.745  -0.125
  274    HA   LEU  33           HA       LEU  33   4.898 -11.522   0.512
  275   1HB   LEU  33          2HB       LEU  33   5.614  -8.885   1.758
  276   2HB   LEU  33          1HB       LEU  33   5.884 -10.375   2.662
  277    HG   LEU  33           HG       LEU  33   6.811 -10.278  -0.180
  278   1HD1  LEU  33          1HD1      LEU  33   8.786  -9.357   1.814
  279   2HD1  LEU  33          2HD1      LEU  33   7.509  -8.194   1.459
  280   3HD1  LEU  33          3HD1      LEU  33   8.522  -8.813   0.156
  281   1HD2  LEU  33          1HD2      LEU  33   7.352 -11.756   2.333
  282   2HD2  LEU  33          2HD2      LEU  33   8.769 -11.419   1.340
  283   3HD2  LEU  33          3HD2      LEU  33   7.412 -12.318   0.663
  284    H    GLN  34           H        GLN  34   2.876  -8.981   2.025
  285    HA   GLN  34           HA       GLN  34   1.991 -10.814   4.134
  286   1HB   GLN  34          2HB       GLN  34   0.636  -8.960   4.936
  287   2HB   GLN  34          1HB       GLN  34   2.249  -8.371   4.545
  288   1HG   GLN  34          2HG       GLN  34   1.052  -7.972   2.160
  289   2HG   GLN  34          1HG       GLN  34  -0.351  -7.806   3.212
  290   1HE2  GLN  34          1HE2      GLN  34   3.118  -6.763   3.420
  291   2HE2  GLN  34          2HE2      GLN  34   2.752  -5.166   3.861
  292    H    ILE  35           H        ILE  35   0.617  -9.575   1.083
  293    HA   ILE  35           HA       ILE  35  -1.939 -10.961   1.633
  294    HB   ILE  35           HB       ILE  35  -2.495 -10.157  -0.747
  295   1HG1  ILE  35          2HG1      ILE  35  -0.046  -8.442  -0.269
  296   2HG1  ILE  35          1HG1      ILE  35  -0.081  -9.803  -1.386
  297   1HG2  ILE  35          1HG2      ILE  35  -2.762  -7.776   0.064
  298   2HG2  ILE  35          2HG2      ILE  35  -1.869  -8.247   1.509
  299   3HG2  ILE  35          3HG2      ILE  35  -3.415  -9.010   1.139
  300   1HD1  ILE  35          1HD1      ILE  35  -1.760  -8.738  -2.744
  301   2HD1  ILE  35          2HD1      ILE  35  -0.501  -7.542  -2.449
  302   3HD1  ILE  35          3HD1      ILE  35  -2.010  -7.474  -1.542
  303    H    GLY  36           H        GLY  36   1.035 -11.583  -0.088
  304   1HA   GLY  36          2HA       GLY  36   1.744 -13.508  -1.239
  305   2HA   GLY  36          1HA       GLY  36   0.325 -14.331  -0.582
  306    H    THR  37           H        THR  37   0.527 -11.456  -2.670
  307    HA   THR  37           HA       THR  37  -1.140 -12.904  -4.692
  308    HB   THR  37           HB       THR  37  -1.100  -9.905  -4.328
  309    HG1  THR  37           HG1      THR  37  -2.993 -10.262  -3.026
  310   1HG2  THR  37          1HG2      THR  37  -2.227 -10.396  -6.295
  311   2HG2  THR  37          2HG2      THR  37  -3.550 -10.424  -5.131
  312   3HG2  THR  37          3HG2      THR  37  -2.833 -11.936  -5.685
  313    H    GLN  38           H        GLN  38   1.950 -11.801  -4.208
  314    HA   GLN  38           HA       GLN  38   3.743 -11.405  -5.647
  315   1HB   GLN  38          2HB       GLN  38   1.685 -12.311  -7.675
  316   2HB   GLN  38          1HB       GLN  38   3.328 -11.861  -8.129
  317   1HG   GLN  38          2HG       GLN  38   3.935 -13.976  -7.639
  318   2HG   GLN  38          1HG       GLN  38   3.658 -13.577  -5.943
  319   1HE2  GLN  38          1HE2      GLN  38   1.714 -14.378  -4.930
  320   2HE2  GLN  38          2HE2      GLN  38   0.662 -15.456  -5.712
  321    HA   PRO  39           HA       PRO  39   3.257  -7.204  -6.836
  322   1HB   PRO  39          2HB       PRO  39   5.525  -6.915  -8.371
  323   2HB   PRO  39          1HB       PRO  39   5.532  -6.984  -6.600
  324   1HG   PRO  39          2HG       PRO  39   6.331  -9.085  -8.567
  325   2HG   PRO  39          1HG       PRO  39   6.905  -8.820  -6.912
  326   1HD   PRO  39          2HD       PRO  39   5.043 -10.782  -7.703
  327   2HD   PRO  39          1HD       PRO  39   5.331 -10.241  -6.034
  328    H    ASN  40           H        ASN  40   3.020  -9.732  -9.113
  329    HA   ASN  40           HA       ASN  40   2.586  -7.924 -11.424
  330   1HB   ASN  40          2HB       ASN  40   2.864 -10.904 -11.085
  331   2HB   ASN  40          1HB       ASN  40   2.148 -10.239 -12.553
  332   1HD2  ASN  40          1HD2      ASN  40   5.155 -10.478 -10.693
  333   2HD2  ASN  40          2HD2      ASN  40   6.161  -9.848 -11.906
  334    H    LYS  41           H        LYS  41   0.761  -9.660  -9.006
  335    HA   LYS  41           HA       LYS  41  -1.740  -9.299 -10.606
  336   1HB   LYS  41          2HB       LYS  41  -0.776 -11.385  -8.820
  337   2HB   LYS  41          1HB       LYS  41  -2.351 -10.783  -8.304
  338   1HG   LYS  41          2HG       LYS  41  -3.370 -11.857  -9.996
  339   2HG   LYS  41          1HG       LYS  41  -2.316 -11.078 -11.176
  340   1HD   LYS  41          2HD       LYS  41  -1.094 -13.259  -9.569
  341   2HD   LYS  41          1HD       LYS  41  -2.314 -13.748 -10.743
  342   1HE   LYS  41          2HE       LYS  41  -0.560 -11.796 -11.938
  343   2HE   LYS  41          1HE       LYS  41   0.397 -13.110 -11.257
  344   1HZ   LYS  41          1HZ       LYS  41  -0.909 -14.695 -12.470
  345   2HZ   LYS  41          2HZ       LYS  41  -0.321 -13.527 -13.555
  346   3HZ   LYS  41          3HZ       LYS  41  -1.941 -13.481 -13.049
  347    H    ILE  42           H        ILE  42  -0.104  -7.390  -8.637
  348    HA   ILE  42           HA       ILE  42  -2.418  -6.698  -6.879
  349    HB   ILE  42           HB       ILE  42   0.525  -5.988  -6.676
  350   1HG1  ILE  42          2HG1      ILE  42  -1.217  -7.407  -4.655
  351   2HG1  ILE  42          1HG1      ILE  42  -0.411  -8.293  -5.950
  352   1HG2  ILE  42          1HG2      ILE  42  -0.711  -4.051  -5.947
  353   2HG2  ILE  42          2HG2      ILE  42  -0.206  -4.914  -4.494
  354   3HG2  ILE  42          3HG2      ILE  42  -1.867  -5.051  -5.068
  355   1HD1  ILE  42          1HD1      ILE  42   0.786  -6.832  -3.623
  356   2HD1  ILE  42          2HD1      ILE  42   1.709  -6.937  -5.123
  357   3HD1  ILE  42          3HD1      ILE  42   1.208  -8.409  -4.291
  358    H    VAL  43           H        VAL  43  -3.510  -4.857  -7.243
  359    HA   VAL  43           HA       VAL  43  -2.317  -2.787  -9.045
  360    HB   VAL  43           HB       VAL  43  -5.217  -3.702  -8.955
  361   1HG1  VAL  43          1HG1      VAL  43  -5.178  -2.182 -11.103
  362   2HG1  VAL  43          2HG1      VAL  43  -3.783  -1.442 -10.320
  363   3HG1  VAL  43          3HG1      VAL  43  -5.350  -1.439  -9.513
  364   1HG2  VAL  43          1HG2      VAL  43  -4.625  -5.209 -10.520
  365   2HG2  VAL  43          2HG2      VAL  43  -2.946  -4.684 -10.414
  366   3HG2  VAL  43          3HG2      VAL  43  -4.043  -3.899 -11.547
  367    H    LEU  44           H        LEU  44  -1.851  -1.173  -7.589
  368    HA   LEU  44           HA       LEU  44  -3.768  -0.642  -5.380
  369   1HB   LEU  44          2HB       LEU  44  -0.894   0.086  -5.890
  370   2HB   LEU  44          1HB       LEU  44  -1.843   0.983  -4.704
  371    HG   LEU  44           HG       LEU  44  -2.232  -1.887  -4.419
  372   1HD1  LEU  44          1HD1      LEU  44   0.292  -1.726  -3.296
  373   2HD1  LEU  44          2HD1      LEU  44   0.499  -0.908  -4.844
  374   3HD1  LEU  44          3HD1      LEU  44  -0.107  -2.562  -4.797
  375   1HD2  LEU  44          1HD2      LEU  44  -1.553  -1.303  -2.071
  376   2HD2  LEU  44          2HD2      LEU  44  -2.851  -0.288  -2.698
  377   3HD2  LEU  44          3HD2      LEU  44  -1.202   0.332  -2.626
  378    H    GLN  45           H        GLN  45  -4.620   1.460  -5.007
  379    HA   GLN  45           HA       GLN  45  -4.347   3.417  -7.244
  380   1HB   GLN  45          2HB       GLN  45  -7.047   3.145  -6.014
  381   2HB   GLN  45          1HB       GLN  45  -6.603   3.535  -7.674
  382   1HG   GLN  45          2HG       GLN  45  -5.861   1.098  -7.907
  383   2HG   GLN  45          1HG       GLN  45  -6.665   0.806  -6.364
  384   1HE2  GLN  45          1HE2      GLN  45  -7.187   1.139  -9.768
  385   2HE2  GLN  45          2HE2      GLN  45  -8.883   1.118  -9.728
  386    H    LYS  46           H        LYS  46  -4.069   5.484  -6.509
  387    HA   LYS  46           HA       LYS  46  -4.265   5.948  -3.581
  388   1HB   LYS  46          2HB       LYS  46  -2.479   6.827  -5.640
  389   2HB   LYS  46          1HB       LYS  46  -3.286   8.249  -4.983
  390   1HG   LYS  46          2HG       LYS  46  -2.614   6.544  -2.793
  391   2HG   LYS  46          1HG       LYS  46  -1.179   6.709  -3.804
  392   1HD   LYS  46          2HD       LYS  46  -0.937   8.598  -2.499
  393   2HD   LYS  46          1HD       LYS  46  -1.913   9.274  -3.803
  394   1HE   LYS  46          2HE       LYS  46  -3.844   9.331  -2.518
  395   2HE   LYS  46          1HE       LYS  46  -3.316   8.008  -1.479
  396   1HZ   LYS  46          1HZ       LYS  46  -2.216  10.767  -1.483
  397   2HZ   LYS  46          2HZ       LYS  46  -1.664   9.493  -0.505
  398   3HZ   LYS  46          3HZ       LYS  46  -3.237  10.102  -0.302
  399    H    GLY  47           H        GLY  47  -6.558   6.162  -3.403
  400   1HA   GLY  47          2HA       GLY  47  -8.487   7.498  -3.209
  401   2HA   GLY  47          1HA       GLY  47  -7.579   8.831  -3.925
  402    H    GLY  48           H        GLY  48  -7.491   8.997  -6.242
  403   1HA   GLY  48          2HA       GLY  48  -9.412   7.249  -7.726
  404   2HA   GLY  48          1HA       GLY  48  -9.490   9.003  -7.892
  405    H    SER  49           H        SER  49  -6.686   6.784  -7.762
  406    HA   SER  49           HA       SER  49  -6.036   7.365 -10.583
  407   1HB   SER  49          2HB       SER  49  -4.928   8.939  -8.523
  408   2HB   SER  49          1HB       SER  49  -3.659   7.808  -8.982
  409    HG   SER  49           HG       SER  49  -3.723   9.750 -10.260
  410    H    VAL  50           H        VAL  50  -4.913   5.663 -11.495
  411    HA   VAL  50           HA       VAL  50  -4.475   3.286  -9.826
  412    HB   VAL  50           HB       VAL  50  -3.879   3.683 -12.777
  413   1HG1  VAL  50          1HG1      VAL  50  -3.549   1.396 -12.905
  414   2HG1  VAL  50          2HG1      VAL  50  -4.591   1.061 -11.524
  415   3HG1  VAL  50          3HG1      VAL  50  -2.960   1.680 -11.268
  416   1HG2  VAL  50          1HG2      VAL  50  -6.091   2.472 -13.052
  417   2HG2  VAL  50          2HG2      VAL  50  -6.228   4.114 -12.427
  418   3HG2  VAL  50          3HG2      VAL  50  -6.374   2.740 -11.332
  419    H    LEU  51           H        LEU  51  -2.543   2.689  -8.977
  420    HA   LEU  51           HA       LEU  51  -0.181   4.377  -9.501
  421   1HB   LEU  51          2HB       LEU  51  -0.379   2.002  -7.627
  422   2HB   LEU  51          1HB       LEU  51   0.805   3.308  -7.585
  423    HG   LEU  51           HG       LEU  51  -2.177   3.614  -7.105
  424   1HD1  LEU  51          1HD1      LEU  51   0.190   3.251  -5.335
  425   2HD1  LEU  51          2HD1      LEU  51  -1.486   2.759  -5.090
  426   3HD1  LEU  51          3HD1      LEU  51  -1.013   4.437  -4.828
  427   1HD2  LEU  51          1HD2      LEU  51  -0.255   5.765  -6.402
  428   2HD2  LEU  51          2HD2      LEU  51  -1.885   5.884  -7.062
  429   3HD2  LEU  51          3HD2      LEU  51  -0.530   5.521  -8.126
  430    H    LYS  52           H        LYS  52   1.526   3.755 -10.743
  431    HA   LYS  52           HA       LYS  52   1.553   0.939 -11.764
  432   1HB   LYS  52          2HB       LYS  52   1.318   3.375 -13.206
  433   2HB   LYS  52          1HB       LYS  52   2.941   2.761 -13.516
  434   1HG   LYS  52          2HG       LYS  52   2.166   1.038 -14.763
  435   2HG   LYS  52          1HG       LYS  52   0.909   0.651 -13.587
  436   1HD   LYS  52          2HD       LYS  52   0.489   3.162 -15.105
  437   2HD   LYS  52          1HD       LYS  52   0.388   1.679 -16.054
  438   1HE   LYS  52          2HE       LYS  52  -1.387   0.824 -14.760
  439   2HE   LYS  52          1HE       LYS  52  -1.057   1.923 -13.420
  440   1HZ   LYS  52          1HZ       LYS  52  -2.182   2.615 -16.077
  441   2HZ   LYS  52          2HZ       LYS  52  -1.668   3.771 -14.941
  442   3HZ   LYS  52          3HZ       LYS  52  -2.956   2.726 -14.569
  443    H    ASP  53           H        ASP  53   3.561  -0.084 -11.873
  444    HA   ASP  53           HA       ASP  53   5.580   0.661 -10.012
  445   1HB   ASP  53          2HB       ASP  53   6.932  -1.122 -11.039
  446   2HB   ASP  53          1HB       ASP  53   5.264  -1.654 -10.831
  447    H    HIS  54           H        HIS  54   5.128   1.547 -13.374
  448    HA   HIS  54           HA       HIS  54   7.817   2.415 -13.922
  449   1HB   HIS  54          2HB       HIS  54   5.163   3.236 -15.135
  450   2HB   HIS  54          1HB       HIS  54   6.734   3.712 -15.778
  451    HD1  HIS  54           HD1      HIS  54   8.374   1.600 -16.386
  452    HD2  HIS  54           HD2      HIS  54   4.306   0.763 -16.040
  453    HE1  HIS  54           HE1      HIS  54   8.004  -0.638 -17.514
  454    H    ILE  55           H        ILE  55   5.283   3.812 -12.009
  455    HA   ILE  55           HA       ILE  55   6.687   6.453 -12.039
  456    HB   ILE  55           HB       ILE  55   3.850   5.747 -11.215
  457   1HG1  ILE  55          2HG1      ILE  55   3.754   7.673 -13.185
  458   2HG1  ILE  55          1HG1      ILE  55   5.130   6.697 -13.696
  459   1HG2  ILE  55          1HG2      ILE  55   4.519   7.541  -9.799
  460   2HG2  ILE  55          2HG2      ILE  55   3.674   8.313 -11.140
  461   3HG2  ILE  55          3HG2      ILE  55   5.437   8.318 -11.089
  462   1HD1  ILE  55          1HD1      ILE  55   3.518   5.396 -14.651
  463   2HD1  ILE  55          2HD1      ILE  55   2.258   5.991 -13.573
  464   3HD1  ILE  55          3HD1      ILE  55   3.369   4.738 -13.022
  465    H    SER  56           H        SER  56   7.220   7.417 -10.014
  466    HA   SER  56           HA       SER  56   7.704   5.463  -7.869
  467   1HB   SER  56          2HB       SER  56   9.167   7.577  -8.803
  468   2HB   SER  56          1HB       SER  56   8.402   8.290  -7.386
  469    HG   SER  56           HG       SER  56  10.011   7.299  -6.422
  470    H    LEU  57           H        LEU  57   7.060   5.843  -5.651
  471    HA   LEU  57           HA       LEU  57   4.326   6.565  -5.298
  472   1HB   LEU  57          2HB       LEU  57   6.627   6.186  -3.377
  473   2HB   LEU  57          1HB       LEU  57   5.028   6.663  -2.804
  474    HG   LEU  57           HG       LEU  57   5.336   4.298  -4.644
  475   1HD1  LEU  57          1HD1      LEU  57   5.207   3.815  -1.712
  476   2HD1  LEU  57          2HD1      LEU  57   6.762   4.352  -2.347
  477   3HD1  LEU  57          3HD1      LEU  57   6.014   2.882  -2.972
  478   1HD2  LEU  57          1HD2      LEU  57   3.370   3.834  -2.734
  479   2HD2  LEU  57          2HD2      LEU  57   3.089   4.437  -4.367
  480   3HD2  LEU  57          3HD2      LEU  57   3.246   5.569  -3.025
  481    H    GLU  58           H        GLU  58   7.304   8.449  -4.961
  482    HA   GLU  58           HA       GLU  58   6.254  10.728  -3.622
  483   1HB   GLU  58          2HB       GLU  58   8.717  10.022  -4.547
  484   2HB   GLU  58          1HB       GLU  58   8.264  11.238  -5.742
  485   1HG   GLU  58          2HG       GLU  58   7.692  11.952  -2.920
  486   2HG   GLU  58          1HG       GLU  58   9.400  11.841  -3.342
  487    H    ASP  59           H        ASP  59   6.266   9.856  -7.074
  488    HA   ASP  59           HA       ASP  59   5.264  12.347  -8.080
  489   1HB   ASP  59          2HB       ASP  59   4.962   9.524  -9.149
  490   2HB   ASP  59          1HB       ASP  59   4.527  10.976 -10.046
  491    H    TYR  60           H        TYR  60   3.604   9.380  -6.986
  492    HA   TYR  60           HA       TYR  60   0.941  10.402  -7.518
  493   1HB   TYR  60          2HB       TYR  60   1.986   8.088  -5.873
  494   2HB   TYR  60          1HB       TYR  60   0.267   8.462  -5.988
  495    HD1  TYR  60           HD1      TYR  60  -0.559   8.927  -8.511
  496    HD2  TYR  60           HD2      TYR  60   2.851   6.559  -7.402
  497    HE1  TYR  60           HE1      TYR  60  -0.669   7.748 -10.689
  498    HE2  TYR  60           HE2      TYR  60   2.740   5.380  -9.580
  499    HH   TYR  60           HH       TYR  60   0.132   5.361 -11.531
  500    H    GLU  61           H        GLU  61   3.221  10.918  -4.977
  501    HA   GLU  61           HA       GLU  61   3.115  12.263  -3.077
  502   1HB   GLU  61          2HB       GLU  61   1.122  13.304  -4.759
  503   2HB   GLU  61          1HB       GLU  61   0.322  13.084  -3.204
  504   1HG   GLU  61          2HG       GLU  61   1.265  15.240  -3.040
  505   2HG   GLU  61          1HG       GLU  61   2.425  14.217  -2.192
  506    H    VAL  62           H        VAL  62   3.104   9.893  -2.259
  507    HA   VAL  62           HA       VAL  62   0.584   9.021  -1.021
  508    HB   VAL  62           HB       VAL  62   2.234   7.383  -1.946
  509   1HG1  VAL  62          1HG1      VAL  62   4.395   7.997  -1.497
  510   2HG1  VAL  62          2HG1      VAL  62   4.140   6.981  -0.079
  511   3HG1  VAL  62          3HG1      VAL  62   3.980   8.729   0.052
  512   1HG2  VAL  62          1HG2      VAL  62   0.652   7.142   0.249
  513   2HG2  VAL  62          2HG2      VAL  62   2.220   6.742   0.948
  514   3HG2  VAL  62          3HG2      VAL  62   1.600   5.813  -0.415
  515    H    HIS  63           H        HIS  63   0.105   9.144   1.189
  516    HA   HIS  63           HA       HIS  63   1.952  10.864   2.801
  517   1HB   HIS  63          2HB       HIS  63  -1.058  10.539   3.003
  518   2HB   HIS  63          1HB       HIS  63  -0.073  11.558   4.053
  519    HD1  HIS  63           HD1      HIS  63   1.375  13.464   2.712
  520    HD2  HIS  63           HD2      HIS  63  -1.870  11.815   0.682
  521    HE1  HIS  63           HE1      HIS  63   0.845  15.043   0.804
  522    H    ASP  64           H        ASP  64   1.935  10.441   5.163
  523    HA   ASP  64           HA       ASP  64   2.263   7.620   5.731
  524   1HB   ASP  64          2HB       ASP  64   3.555   9.498   6.836
  525   2HB   ASP  64          1HB       ASP  64   2.091   9.890   7.735
  526    H    GLN  65           H        GLN  65   0.822   6.216   6.631
  527    HA   GLN  65           HA       GLN  65  -1.183   5.358   7.467
  528   1HB   GLN  65          2HB       GLN  65  -0.591   7.622   9.036
  529   2HB   GLN  65          1HB       GLN  65  -2.298   7.777   8.621
  530   1HG   GLN  65          2HG       GLN  65  -2.084   6.479  10.679
  531   2HG   GLN  65          1HG       GLN  65  -2.662   5.430   9.385
  532   1HE2  GLN  65          1HE2      GLN  65   0.486   6.476  10.836
  533   2HE2  GLN  65          2HE2      GLN  65   1.226   4.957  10.675
  534    H    THR  66           H        THR  66  -1.101   6.471   4.787
  535    HA   THR  66           HA       THR  66  -3.696   7.832   4.423
  536    HB   THR  66           HB       THR  66  -1.652   8.443   3.071
  537    HG1  THR  66           HG1      THR  66  -3.237   9.129   1.901
  538   1HG2  THR  66          1HG2      THR  66  -1.431   6.790   1.020
  539   2HG2  THR  66          2HG2      THR  66  -2.022   5.605   2.183
  540   3HG2  THR  66          3HG2      THR  66  -0.534   6.492   2.508
  541    H    ASN  67           H        ASN  67  -5.323   6.907   2.918
  542    HA   ASN  67           HA       ASN  67  -5.511   3.958   3.279
  543   1HB   ASN  67          2HB       ASN  67  -7.484   6.175   2.949
  544   2HB   ASN  67          1HB       ASN  67  -7.936   4.580   2.347
  545   1HD2  ASN  67          1HD2      ASN  67  -8.215   2.848   3.914
  546   2HD2  ASN  67          2HD2      ASN  67  -8.271   3.154   5.583
  547    H    LEU  68           H        LEU  68  -4.794   2.791   1.586
  548    HA   LEU  68           HA       LEU  68  -5.066   3.905  -1.174
  549   1HB   LEU  68          2HB       LEU  68  -3.196   1.904   0.086
  550   2HB   LEU  68          1HB       LEU  68  -3.437   1.926  -1.661
  551    HG   LEU  68           HG       LEU  68  -2.937   4.567  -0.406
  552   1HD1  LEU  68          1HD1      LEU  68  -0.792   2.430  -0.617
  553   2HD1  LEU  68          2HD1      LEU  68  -1.362   3.195   0.866
  554   3HD1  LEU  68          3HD1      LEU  68  -0.480   4.142  -0.331
  555   1HD2  LEU  68          1HD2      LEU  68  -3.182   4.141  -2.868
  556   2HD2  LEU  68          2HD2      LEU  68  -1.724   3.152  -2.802
  557   3HD2  LEU  68          3HD2      LEU  68  -1.635   4.875  -2.445
  558    H    GLU  69           H        GLU  69  -5.793   2.428  -2.868
  559    HA   GLU  69           HA       GLU  69  -7.768   0.450  -1.841
  560   1HB   GLU  69          2HB       GLU  69  -7.434   1.865  -4.496
  561   2HB   GLU  69          1HB       GLU  69  -8.538   0.506  -4.292
  562   1HG   GLU  69          2HG       GLU  69 -10.004   2.199  -3.769
  563   2HG   GLU  69          1HG       GLU  69  -9.299   1.969  -2.169
  564    H    LEU  70           H        LEU  70  -7.646  -1.723  -2.423
  565    HA   LEU  70           HA       LEU  70  -5.181  -2.540  -3.900
  566   1HB   LEU  70          2HB       LEU  70  -5.242  -3.174  -1.468
  567   2HB   LEU  70          1HB       LEU  70  -6.683  -4.132  -1.798
  568    HG   LEU  70           HG       LEU  70  -5.427  -5.514  -3.395
  569   1HD1  LEU  70          1HD1      LEU  70  -3.850  -3.830  -4.215
  570   2HD1  LEU  70          2HD1      LEU  70  -2.963  -5.218  -3.585
  571   3HD1  LEU  70          3HD1      LEU  70  -3.086  -3.742  -2.627
  572   1HD2  LEU  70          1HD2      LEU  70  -5.263  -5.648  -0.692
  573   2HD2  LEU  70          2HD2      LEU  70  -3.553  -5.483  -1.090
  574   3HD2  LEU  70          3HD2      LEU  70  -4.490  -6.817  -1.761
  575    H    TYR  71           H        TYR  71  -5.469  -3.790  -5.673
  576    HA   TYR  71           HA       TYR  71  -8.143  -5.033  -6.147
  577   1HB   TYR  71          2HB       TYR  71  -6.750  -2.936  -7.698
  578   2HB   TYR  71          1HB       TYR  71  -7.362  -4.278  -8.661
  579    HD1  TYR  71           HD1      TYR  71  -8.233  -1.397  -6.590
  580    HD2  TYR  71           HD2      TYR  71  -9.782  -4.833  -8.653
  581    HE1  TYR  71           HE1      TYR  71 -10.520  -0.453  -6.444
  582    HE2  TYR  71           HE2      TYR  71 -12.070  -3.889  -8.506
  583    HH   TYR  71           HH       TYR  71 -12.858  -1.036  -8.164
  584    H    TYR  72           H        TYR  72  -8.019  -7.057  -7.138
  585    HA   TYR  72           HA       TYR  72  -5.261  -8.101  -7.588
  586   1HB   TYR  72          2HB       TYR  72  -7.891  -9.548  -7.132
  587   2HB   TYR  72          1HB       TYR  72  -6.349 -10.349  -7.430
  588    HD1  TYR  72           HD1      TYR  72  -8.249 -10.375  -4.889
  589    HD2  TYR  72           HD2      TYR  72  -4.619  -8.303  -5.888
  590    HE1  TYR  72           HE1      TYR  72  -7.688 -10.190  -2.481
  591    HE2  TYR  72           HE2      TYR  72  -4.061  -8.119  -3.482
  592    HH   TYR  72           HH       TYR  72  -5.977  -8.270  -1.133
  593    H    LEU  73           HN       LEU  73  -4.595  -8.437  -9.626
  594    HA   LEU  73           HA       LEU  73  -4.607  -8.885 -11.919
  595   1HB   LEU  73          2HB       LEU  73  -7.135 -10.042 -11.012
  596   2HB   LEU  73          1HB       LEU  73  -7.238  -9.429 -12.661
  597    HG   LEU  73           HG       LEU  73  -4.722 -10.785 -12.312
  598   1HD1  LEU  73          1HD1      LEU  73  -7.109 -12.066 -11.095
  599   2HD1  LEU  73          2HD1      LEU  73  -5.396 -12.334 -10.770
  600   3HD1  LEU  73          3HD1      LEU  73  -6.154 -13.084 -12.174
  601   1HD2  LEU  73          1HD2      LEU  73  -5.799 -12.240 -14.128
  602   2HD2  LEU  73          2HD2      LEU  73  -5.679 -10.517 -14.483
  603   3HD2  LEU  73          3HD2      LEU  73  -7.219 -11.205 -13.971
  Start of MODEL   19
    1    H    MET   1           1H       MET   1  11.418   5.484   5.995
    2    HA   MET   1           HA       MET   1   9.381   4.654   4.929
    3   1HB   MET   1          2HB       MET   1  10.996   3.432   6.854
    4   2HB   MET   1          1HB       MET   1   9.353   3.043   7.362
    5   1HG   MET   1          2HG       MET   1   8.852   1.943   5.348
    6   2HG   MET   1          1HG       MET   1  10.157   2.748   4.477
    7   1HE   MET   1          1HE       MET   1  12.411   0.315   3.965
    8   2HE   MET   1          2HE       MET   1  11.013   1.234   3.411
    9   3HE   MET   1          3HE       MET   1  10.830  -0.468   3.833
   10    H    ILE   2           H        ILE   2   7.161   4.624   4.944
   11    HA   ILE   2           HA       ILE   2   5.803   5.613   7.424
   12    HB   ILE   2           HB       ILE   2   4.053   6.536   5.936
   13   1HG1  ILE   2          2HG1      ILE   2   5.885   6.021   3.595
   14   2HG1  ILE   2          1HG1      ILE   2   4.691   4.814   4.070
   15   1HG2  ILE   2          1HG2      ILE   2   5.613   8.182   6.489
   16   2HG2  ILE   2          2HG2      ILE   2   5.678   8.216   4.728
   17   3HG2  ILE   2          3HG2      ILE   2   6.927   7.367   5.640
   18   1HD1  ILE   2          1HD1      ILE   2   3.006   6.010   3.169
   19   2HD1  ILE   2          2HD1      ILE   2   4.236   7.044   2.443
   20   3HD1  ILE   2          3HD1      ILE   2   3.525   7.478   3.997
   21    H    GLU   3           H        GLU   3   3.586   4.801   7.736
   22    HA   GLU   3           HA       GLU   3   3.312   1.989   6.755
   23   1HB   GLU   3          2HB       GLU   3   3.515   2.281   9.217
   24   2HB   GLU   3          1HB       GLU   3   2.086   3.312   9.198
   25   1HG   GLU   3          2HG       GLU   3   1.319   1.131   9.810
   26   2HG   GLU   3          1HG       GLU   3   0.842   1.359   8.130
   27    H    VAL   4           H        VAL   4   1.585   1.534   5.443
   28    HA   VAL   4           HA       VAL   4  -0.706   3.449   5.420
   29    HB   VAL   4           HB       VAL   4  -0.755   3.258   2.917
   30   1HG1  VAL   4          1HG1      VAL   4   1.850   4.332   4.044
   31   2HG1  VAL   4          2HG1      VAL   4   0.309   5.186   4.091
   32   3HG1  VAL   4          3HG1      VAL   4   1.075   4.834   2.542
   33   1HG2  VAL   4          1HG2      VAL   4   0.867   2.132   1.717
   34   2HG2  VAL   4          2HG2      VAL   4   0.806   1.109   3.151
   35   3HG2  VAL   4          3HG2      VAL   4   2.083   2.313   2.980
   36    H    VAL   5           H        VAL   5  -2.669   2.518   4.413
   37    HA   VAL   5           HA       VAL   5  -2.754  -0.461   4.711
   38    HB   VAL   5           HB       VAL   5  -5.194  -0.117   5.286
   39   1HG1  VAL   5          1HG1      VAL   5  -2.883   0.158   6.876
   40   2HG1  VAL   5          2HG1      VAL   5  -4.507  -0.272   7.421
   41   3HG1  VAL   5          3HG1      VAL   5  -3.990   1.417   7.425
   42   1HG2  VAL   5          1HG2      VAL   5  -4.767   2.448   4.363
   43   2HG2  VAL   5          2HG2      VAL   5  -4.718   2.672   6.112
   44   3HG2  VAL   5          3HG2      VAL   5  -6.136   1.949   5.352
   45    H    VAL   6           H        VAL   6  -3.893  -1.630   3.135
   46    HA   VAL   6           HA       VAL   6  -4.876  -0.054   0.787
   47    HB   VAL   6           HB       VAL   6  -3.681  -2.783   0.409
   48   1HG1  VAL   6          1HG1      VAL   6  -3.250  -1.954  -1.803
   49   2HG1  VAL   6          2HG1      VAL   6  -3.572  -0.292  -1.309
   50   3HG1  VAL   6          3HG1      VAL   6  -4.890  -1.459  -1.388
   51   1HG2  VAL   6          1HG2      VAL   6  -1.909  -1.731   1.642
   52   2HG2  VAL   6          2HG2      VAL   6  -2.145  -0.199   0.801
   53   3HG2  VAL   6          3HG2      VAL   6  -1.475  -1.585  -0.061
   54    H    ASN   7           H        ASN   7  -7.041  -0.363   0.677
   55    HA   ASN   7           HA       ASN   7  -8.203  -2.911   1.681
   56   1HB   ASN   7          2HB       ASN   7  -9.264  -0.149   1.174
   57   2HB   ASN   7          1HB       ASN   7 -10.385  -1.510   1.161
   58   1HD2  ASN   7          1HD2      ASN   7  -7.797  -0.064   3.226
   59   2HD2  ASN   7          2HD2      ASN   7  -8.504  -0.540   4.693
   60    H    ASP   8           H        ASP   8  -8.950  -4.433   0.281
   61    HA   ASP   8           HA       ASP   8  -8.601  -4.118  -2.568
   62   1HB   ASP   8          2HB       ASP   8  -8.976  -6.274  -0.813
   63   2HB   ASP   8          1HB       ASP   8 -10.395  -6.292  -1.859
   64    H    ARG   9           H        ARG   9 -11.466  -4.157  -0.440
   65    HA   ARG   9           HA       ARG   9 -12.940  -2.558  -2.424
   66   1HB   ARG   9          2HB       ARG   9 -13.398  -5.432  -2.051
   67   2HB   ARG   9          1HB       ARG   9 -14.856  -4.469  -1.813
   68   1HG   ARG   9          2HG       ARG   9 -13.170  -3.735  -4.148
   69   2HG   ARG   9          1HG       ARG   9 -14.014  -5.277  -4.255
   70   1HD   ARG   9          2HD       ARG   9 -15.475  -3.590  -5.173
   71   2HD   ARG   9          1HD       ARG   9 -16.135  -4.068  -3.610
   72    HE   ARG   9           HE       ARG   9 -15.259  -1.958  -2.677
   73   1HH1  ARG   9          2HH1      ARG   9 -17.089  -1.070  -4.849
   74   2HH1  ARG   9          1HH1      ARG   9 -16.107   0.049  -5.733
   75   1HH2  ARG   9          1HH2      ARG   9 -13.121  -1.062  -4.339
   76   2HH2  ARG   9          2HH2      ARG   9 -13.852   0.055  -5.442
   77    H    LEU  10           H        LEU  10 -13.679  -4.568   0.464
   78    HA   LEU  10           HA       LEU  10 -14.067  -2.249   2.161
   79   1HB   LEU  10          2HB       LEU  10 -16.228  -2.747   0.533
   80   2HB   LEU  10          1HB       LEU  10 -16.642  -3.681   1.970
   81    HG   LEU  10           HG       LEU  10 -15.555  -1.089   2.705
   82   1HD1  LEU  10          1HD1      LEU  10 -16.804  -0.820   0.342
   83   2HD1  LEU  10          2HD1      LEU  10 -16.932   0.396   1.613
   84   3HD1  LEU  10          3HD1      LEU  10 -18.218  -0.792   1.395
   85   1HD2  LEU  10          1HD2      LEU  10 -16.825  -2.389   4.271
   86   2HD2  LEU  10          2HD2      LEU  10 -18.162  -2.571   3.134
   87   3HD2  LEU  10          3HD2      LEU  10 -17.829  -0.997   3.859
   88    H    GLY  11           H        GLY  11 -13.215  -3.076   3.999
   89   1HA   GLY  11          2HA       GLY  11 -13.588  -4.464   5.995
   90   2HA   GLY  11          1HA       GLY  11 -14.167  -5.749   4.936
   91    H    LYS  12           H        LYS  12 -12.344  -6.240   3.124
   92    HA   LYS  12           HA       LYS  12 -10.062  -7.261   4.619
   93   1HB   LYS  12          2HB       LYS  12 -11.229  -8.356   2.594
   94   2HB   LYS  12          1HB       LYS  12 -10.312  -7.220   1.605
   95   1HG   LYS  12          2HG       LYS  12  -8.502  -8.370   3.488
   96   2HG   LYS  12          1HG       LYS  12  -9.424  -9.688   2.766
   97   1HD   LYS  12          2HD       LYS  12  -8.044  -9.538   0.988
   98   2HD   LYS  12          1HD       LYS  12  -8.834  -8.007   0.612
   99   1HE   LYS  12          2HE       LYS  12  -6.854  -7.690   2.724
  100   2HE   LYS  12          1HE       LYS  12  -6.135  -8.361   1.261
  101   1HZ   LYS  12          1HZ       LYS  12  -6.451  -5.784   1.591
  102   2HZ   LYS  12          2HZ       LYS  12  -7.990  -6.122   0.960
  103   3HZ   LYS  12          3HZ       LYS  12  -6.599  -6.506   0.064
  104    H    LYS  13           H        LYS  13  -8.168  -6.209   4.966
  105    HA   LYS  13           HA       LYS  13  -7.220  -4.183   3.011
  106   1HB   LYS  13          2HB       LYS  13  -6.712  -2.588   4.871
  107   2HB   LYS  13          1HB       LYS  13  -8.439  -2.848   4.640
  108   1HG   LYS  13          2HG       LYS  13  -8.679  -3.970   6.631
  109   2HG   LYS  13          1HG       LYS  13  -7.060  -4.665   6.555
  110   1HD   LYS  13          2HD       LYS  13  -7.169  -1.715   6.830
  111   2HD   LYS  13          1HD       LYS  13  -7.735  -2.632   8.226
  112   1HE   LYS  13          2HE       LYS  13  -5.177  -3.473   6.913
  113   2HE   LYS  13          1HE       LYS  13  -5.159  -2.049   7.951
  114   1HZ   LYS  13          1HZ       LYS  13  -6.614  -4.193   9.140
  115   2HZ   LYS  13          2HZ       LYS  13  -5.293  -3.316   9.751
  116   3HZ   LYS  13          3HZ       LYS  13  -5.033  -4.669   8.758
  117    H    VAL  14           H        VAL  14  -4.907  -3.754   3.193
  118    HA   VAL  14           HA       VAL  14  -3.433  -5.767   4.854
  119    HB   VAL  14           HB       VAL  14  -2.466  -4.790   2.162
  120   1HG1  VAL  14          1HG1      VAL  14  -0.928  -6.575   2.315
  121   2HG1  VAL  14          2HG1      VAL  14  -1.870  -7.399   3.557
  122   3HG1  VAL  14          3HG1      VAL  14  -0.979  -5.929   3.954
  123   1HG2  VAL  14          1HG2      VAL  14  -3.279  -7.183   1.465
  124   2HG2  VAL  14          2HG2      VAL  14  -4.445  -5.861   1.500
  125   3HG2  VAL  14          3HG2      VAL  14  -4.382  -7.016   2.831
  126    H    ARG  15           H        ARG  15  -1.716  -4.985   6.018
  127    HA   ARG  15           HA       ARG  15  -1.166  -2.063   5.848
  128   1HB   ARG  15          2HB       ARG  15  -1.056  -4.116   7.998
  129   2HB   ARG  15          1HB       ARG  15   0.204  -2.883   8.046
  130   1HG   ARG  15          2HG       ARG  15  -2.428  -1.740   7.488
  131   2HG   ARG  15          1HG       ARG  15  -2.390  -2.605   9.023
  132   1HD   ARG  15          2HD       ARG  15  -0.081  -1.297   9.288
  133   2HD   ARG  15          1HD       ARG  15  -0.866  -0.176   8.177
  134    HE   ARG  15           HE       ARG  15  -2.349  -0.991  10.624
  135   1HH1  ARG  15          2HH1      ARG  15  -0.050   0.903  11.176
  136   2HH1  ARG  15          1HH1      ARG  15  -0.830   2.444  11.049
  137   1HH2  ARG  15          1HH2      ARG  15  -3.637   1.186   9.423
  138   2HH2  ARG  15          2HH2      ARG  15  -2.871   2.606  10.052
  139    H    VAL  16           H        VAL  16   0.660  -1.436   4.799
  140    HA   VAL  16           HA       VAL  16   3.057  -3.201   4.880
  141    HB   VAL  16           HB       VAL  16   1.867  -3.680   2.759
  142   1HG1  VAL  16          1HG1      VAL  16   1.255  -0.972   2.795
  143   2HG1  VAL  16          2HG1      VAL  16   0.987  -2.070   1.442
  144   3HG1  VAL  16          3HG1      VAL  16   2.457  -1.100   1.511
  145   1HG2  VAL  16          1HG2      VAL  16   3.816  -2.832   1.218
  146   2HG2  VAL  16          2HG2      VAL  16   4.176  -3.980   2.506
  147   3HG2  VAL  16          3HG2      VAL  16   4.524  -2.266   2.730
  148    H    LYS  17           H        LYS  17   4.963  -2.050   5.098
  149    HA   LYS  17           HA       LYS  17   4.682   0.915   5.196
  150   1HB   LYS  17          2HB       LYS  17   6.524   0.945   6.734
  151   2HB   LYS  17          1HB       LYS  17   5.436  -0.336   7.259
  152   1HG   LYS  17          2HG       LYS  17   6.930  -1.909   5.834
  153   2HG   LYS  17          1HG       LYS  17   8.101  -0.591   5.868
  154   1HD   LYS  17          2HD       LYS  17   8.768  -1.322   7.893
  155   2HD   LYS  17          1HD       LYS  17   7.190  -0.850   8.521
  156   1HE   LYS  17          2HE       LYS  17   7.459  -3.478   7.098
  157   2HE   LYS  17          1HE       LYS  17   8.013  -3.348   8.768
  158   1HZ   LYS  17          1HZ       LYS  17   5.297  -2.694   7.758
  159   2HZ   LYS  17          2HZ       LYS  17   5.820  -2.467   9.360
  160   3HZ   LYS  17          3HZ       LYS  17   5.720  -4.031   8.711
  161    H    CYS  18           H        CYS  18   5.986   2.248   3.976
  162    HA   CYS  18           HA       CYS  18   8.308   1.218   2.501
  163   1HB   CYS  18          2HB       CYS  18   5.661   1.485   1.240
  164   2HB   CYS  18          1HB       CYS  18   6.934   2.365   0.395
  165    HG   CYS  18           HG       CYS  18   8.266   0.127   0.160
  166    H    LEU  19           H        LEU  19   9.572   2.953   1.580
  167    HA   LEU  19           HA       LEU  19   9.196   5.526   2.929
  168   1HB   LEU  19          2HB       LEU  19  11.361   4.122   1.651
  169   2HB   LEU  19          1HB       LEU  19  11.217   5.724   0.931
  170    HG   LEU  19           HG       LEU  19  11.001   5.606   3.891
  171   1HD1  LEU  19          1HD1      LEU  19  13.452   5.485   4.167
  172   2HD1  LEU  19          2HD1      LEU  19  13.632   5.183   2.438
  173   3HD1  LEU  19          3HD1      LEU  19  12.823   3.996   3.461
  174   1HD2  LEU  19          1HD2      LEU  19  12.497   7.631   3.597
  175   2HD2  LEU  19          2HD2      LEU  19  10.937   7.753   2.785
  176   3HD2  LEU  19          3HD2      LEU  19  12.387   7.377   1.856
  177    H    ALA  20           H        ALA  20   8.789   7.538   1.868
  178    HA   ALA  20           HA       ALA  20   6.930   7.451  -0.316
  179   1HB   ALA  20          1HB       ALA  20   7.605   9.330   1.551
  180   2HB   ALA  20          2HB       ALA  20   6.623   9.663   0.124
  181   3HB   ALA  20          3HB       ALA  20   8.353  10.007   0.104
  182    H    GLU  21           H        GLU  21  10.407   7.564  -0.247
  183    HA   GLU  21           HA       GLU  21  10.710   8.650  -2.943
  184   1HB   GLU  21          2HB       GLU  21  13.094   8.042  -2.664
  185   2HB   GLU  21          1HB       GLU  21  12.498   8.955  -1.280
  186   1HG   GLU  21          2HG       GLU  21  13.308   7.278   0.003
  187   2HG   GLU  21          1HG       GLU  21  11.957   6.315  -0.587
  188    H    ASP  22           H        ASP  22  10.217   5.495  -1.525
  189    HA   ASP  22           HA       ASP  22  11.300   3.889  -3.624
  190   1HB   ASP  22          2HB       ASP  22   9.249   3.446  -1.476
  191   2HB   ASP  22          1HB       ASP  22   9.438   2.238  -2.747
  192    H    SER  23           H        SER  23  10.128   2.766  -5.341
  193    HA   SER  23           HA       SER  23   8.049   4.494  -6.534
  194   1HB   SER  23          2HB       SER  23  10.069   2.628  -7.537
  195   2HB   SER  23          1HB       SER  23   8.502   2.420  -8.315
  196    HG   SER  23           HG       SER  23  10.090   4.095  -9.131
  197    H    VAL  24           H        VAL  24   6.217   3.321  -7.713
  198    HA   VAL  24           HA       VAL  24   4.593   1.894  -5.861
  199    HB   VAL  24           HB       VAL  24   4.409   1.930  -8.891
  200   1HG1  VAL  24          1HG1      VAL  24   2.948   0.225  -8.295
  201   2HG1  VAL  24          2HG1      VAL  24   1.887   1.626  -8.154
  202   3HG1  VAL  24          3HG1      VAL  24   2.618   0.924  -6.710
  203   1HG2  VAL  24          1HG2      VAL  24   4.351   4.141  -7.460
  204   2HG2  VAL  24          2HG2      VAL  24   2.732   3.588  -7.031
  205   3HG2  VAL  24          3HG2      VAL  24   3.145   3.883  -8.719
  206    H    GLY  25           H        GLY  25   6.819   0.773  -8.388
  207   1HA   GLY  25          2HA       GLY  25   6.148  -1.990  -8.394
  208   2HA   GLY  25          1HA       GLY  25   7.749  -1.350  -8.768
  209    H    ASP  26           H        ASP  26   8.568  -0.229  -6.418
  210    HA   ASP  26           HA       ASP  26   9.349  -2.476  -4.816
  211   1HB   ASP  26          2HB       ASP  26  10.570  -0.260  -4.977
  212   2HB   ASP  26          1HB       ASP  26   9.317   0.431  -3.948
  213    H    PHE  27           H        PHE  27   6.754  -0.079  -4.497
  214    HA   PHE  27           HA       PHE  27   5.860  -0.745  -1.874
  215   1HB   PHE  27          2HB       PHE  27   5.116   1.226  -3.302
  216   2HB   PHE  27          1HB       PHE  27   4.096   0.097  -4.193
  217    HD1  PHE  27           HD1      PHE  27   4.796   1.392  -0.754
  218    HD2  PHE  27           HD2      PHE  27   1.983  -0.540  -3.362
  219    HE1  PHE  27           HE1      PHE  27   3.049   1.573   0.993
  220    HE2  PHE  27           HE2      PHE  27   0.239  -0.359  -1.613
  221    HZ   PHE  27           HZ       PHE  27   0.770   0.698   0.562
  222    H    LYS  28           H        LYS  28   4.875  -2.023  -5.068
  223    HA   LYS  28           HA       LYS  28   3.013  -3.959  -3.997
  224   1HB   LYS  28          2HB       LYS  28   4.393  -3.658  -6.671
  225   2HB   LYS  28          1HB       LYS  28   3.321  -5.016  -6.325
  226   1HG   LYS  28          2HG       LYS  28   1.496  -3.462  -5.791
  227   2HG   LYS  28          1HG       LYS  28   2.562  -2.090  -6.089
  228   1HD   LYS  28          2HD       LYS  28   2.818  -2.753  -8.427
  229   2HD   LYS  28          1HD       LYS  28   1.845  -4.196  -8.149
  230   1HE   LYS  28          2HE       LYS  28  -0.137  -2.995  -7.966
  231   2HE   LYS  28          1HE       LYS  28   0.682  -1.521  -7.453
  232   1HZ   LYS  28          1HZ       LYS  28   1.542  -1.241  -9.678
  233   2HZ   LYS  28          2HZ       LYS  28  -0.153  -1.364  -9.728
  234   3HZ   LYS  28          3HZ       LYS  28   0.809  -2.686 -10.182
  235    H    LYS  29           H        LYS  29   6.478  -4.001  -4.703
  236    HA   LYS  29           HA       LYS  29   6.882  -6.834  -4.577
  237   1HB   LYS  29          2HB       LYS  29   8.699  -4.484  -4.002
  238   2HB   LYS  29          1HB       LYS  29   9.253  -6.151  -3.884
  239   1HG   LYS  29          2HG       LYS  29   7.971  -6.124  -6.332
  240   2HG   LYS  29          1HG       LYS  29   8.721  -4.530  -6.273
  241   1HD   LYS  29          2HD       LYS  29  10.624  -5.561  -6.933
  242   2HD   LYS  29          1HD       LYS  29  10.711  -6.186  -5.287
  243   1HE   LYS  29          2HE       LYS  29   8.951  -7.946  -6.428
  244   2HE   LYS  29          1HE       LYS  29  10.003  -7.579  -7.793
  245   1HZ   LYS  29          1HZ       LYS  29  11.063  -9.327  -6.728
  246   2HZ   LYS  29          2HZ       LYS  29  10.713  -8.738  -5.174
  247   3HZ   LYS  29          3HZ       LYS  29  11.887  -7.969  -6.131
  248    H    VAL  30           H        VAL  30   6.907  -4.309  -2.045
  249    HA   VAL  30           HA       VAL  30   7.632  -6.104   0.101
  250    HB   VAL  30           HB       VAL  30   6.142  -3.458   0.251
  251   1HG1  VAL  30          1HG1      VAL  30   7.886  -4.695   2.382
  252   2HG1  VAL  30          2HG1      VAL  30   6.170  -5.087   2.276
  253   3HG1  VAL  30          3HG1      VAL  30   6.679  -3.421   2.551
  254   1HG2  VAL  30          1HG2      VAL  30   8.573  -3.708  -0.835
  255   2HG2  VAL  30          2HG2      VAL  30   9.057  -3.761   0.860
  256   3HG2  VAL  30          3HG2      VAL  30   8.183  -2.363   0.236
  257    H    LEU  31           H        LEU  31   4.536  -5.045  -1.290
  258    HA   LEU  31           HA       LEU  31   2.873  -6.270   0.735
  259   1HB   LEU  31          2HB       LEU  31   2.443  -5.159  -2.012
  260   2HB   LEU  31          1HB       LEU  31   1.197  -6.207  -1.336
  261    HG   LEU  31           HG       LEU  31   2.289  -4.030   0.400
  262   1HD1  LEU  31          1HD1      LEU  31  -0.039  -3.212  -1.183
  263   2HD1  LEU  31          2HD1      LEU  31   1.418  -3.410  -2.158
  264   3HD1  LEU  31          3HD1      LEU  31   1.420  -2.308  -0.782
  265   1HD2  LEU  31          1HD2      LEU  31  -0.148  -4.009   1.083
  266   2HD2  LEU  31          2HD2      LEU  31   0.669  -5.547   1.359
  267   3HD2  LEU  31          3HD2      LEU  31  -0.405  -5.356  -0.026
  268    H    SER  32           H        SER  32   3.794  -7.310  -2.570
  269    HA   SER  32           HA       SER  32   2.495  -9.790  -2.652
  270   1HB   SER  32          2HB       SER  32   4.290 -10.487  -4.243
  271   2HB   SER  32          1HB       SER  32   3.626  -8.897  -4.601
  272    HG   SER  32           HG       SER  32   5.874  -8.816  -4.663
  273    H    LEU  33           H        LEU  33   5.254  -8.936  -0.678
  274    HA   LEU  33           HA       LEU  33   6.193 -11.659  -0.278
  275   1HB   LEU  33          2HB       LEU  33   6.694  -9.025   1.100
  276   2HB   LEU  33          1HB       LEU  33   7.308 -10.530   1.781
  277    HG   LEU  33           HG       LEU  33   7.786  -9.948  -1.123
  278   1HD1  LEU  33          1HD1      LEU  33   8.429  -7.920   0.303
  279   2HD1  LEU  33          2HD1      LEU  33   9.722  -8.633  -0.662
  280   3HD1  LEU  33          3HD1      LEU  33   9.625  -8.965   1.068
  281   1HD2  LEU  33          1HD2      LEU  33  10.049 -11.038   0.054
  282   2HD2  LEU  33          2HD2      LEU  33   8.798 -11.951  -0.789
  283   3HD2  LEU  33          3HD2      LEU  33   8.734 -11.781   0.966
  284    H    GLN  34           H        GLN  34   4.078  -9.444   1.579
  285    HA   GLN  34           HA       GLN  34   3.620 -11.470   3.646
  286   1HB   GLN  34          2HB       GLN  34   2.136  -9.810   4.671
  287   2HB   GLN  34          1HB       GLN  34   3.679  -9.079   4.238
  288   1HG   GLN  34          2HG       GLN  34   2.645  -8.218   2.138
  289   2HG   GLN  34          1HG       GLN  34   1.095  -8.878   2.660
  290   1HE2  GLN  34          1HE2      GLN  34   3.109  -6.112   2.845
  291   2HE2  GLN  34          2HE2      GLN  34   2.293  -5.316   4.101
  292    H    ILE  35           H        ILE  35   1.802 -10.243   0.834
  293    HA   ILE  35           HA       ILE  35  -0.501 -11.963   1.572
  294    HB   ILE  35           HB       ILE  35  -1.338 -11.023  -0.766
  295   1HG1  ILE  35          2HG1      ILE  35   0.580  -8.844   0.098
  296   2HG1  ILE  35          1HG1      ILE  35   0.933  -9.968  -1.215
  297   1HG2  ILE  35          1HG2      ILE  35  -1.919  -8.828   0.614
  298   2HG2  ILE  35          2HG2      ILE  35  -1.249  -9.773   1.945
  299   3HG2  ILE  35          3HG2      ILE  35  -2.628 -10.387   1.033
  300   1HD1  ILE  35          1HD1      ILE  35  -1.604  -8.326  -1.152
  301   2HD1  ILE  35          2HD1      ILE  35  -0.884  -9.165  -2.526
  302   3HD1  ILE  35          3HD1      ILE  35  -0.116  -7.719  -1.876
  303    H    GLY  36           H        GLY  36   2.207 -11.961  -0.662
  304   1HA   GLY  36          2HA       GLY  36   3.011 -13.723  -2.007
  305   2HA   GLY  36          1HA       GLY  36   1.758 -14.755  -1.315
  306    H    THR  37           H        THR  37   1.375 -11.681  -3.051
  307    HA   THR  37           HA       THR  37  -0.343 -13.104  -5.043
  308    HB   THR  37           HB       THR  37  -0.404 -10.128  -4.578
  309    HG1  THR  37           HG1      THR  37  -2.146 -10.669  -3.060
  310   1HG2  THR  37          1HG2      THR  37  -2.637 -10.306  -5.399
  311   2HG2  THR  37          2HG2      THR  37  -2.634 -12.060  -5.224
  312   3HG2  THR  37          3HG2      THR  37  -1.642 -11.296  -6.465
  313    H    GLN  38           H        GLN  38   2.673 -11.594  -4.704
  314    HA   GLN  38           HA       GLN  38   4.304 -10.978  -6.255
  315   1HB   GLN  38          2HB       GLN  38   2.366 -12.526  -7.921
  316   2HB   GLN  38          1HB       GLN  38   3.524 -11.506  -8.771
  317   1HG   GLN  38          2HG       GLN  38   4.843 -13.369  -8.575
  318   2HG   GLN  38          1HG       GLN  38   5.191 -12.665  -6.996
  319   1HE2  GLN  38          1HE2      GLN  38   4.475 -13.814  -5.134
  320   2HE2  GLN  38          2HE2      GLN  38   3.596 -15.263  -5.211
  321    HA   PRO  39           HA       PRO  39   3.092  -6.971  -7.577
  322   1HB   PRO  39          2HB       PRO  39   5.099  -6.442  -9.388
  323   2HB   PRO  39          1HB       PRO  39   5.322  -6.405  -7.630
  324   1HG   PRO  39          2HG       PRO  39   6.189  -8.485  -9.594
  325   2HG   PRO  39          1HG       PRO  39   6.917  -8.033  -8.042
  326   1HD   PRO  39          2HD       PRO  39   5.307 -10.296  -8.479
  327   2HD   PRO  39          1HD       PRO  39   5.681  -9.591  -6.891
  328    H    ASN  40           H        ASN  40   3.315  -9.585  -9.854
  329    HA   ASN  40           HA       ASN  40   2.256  -8.063 -12.125
  330   1HB   ASN  40          2HB       ASN  40   2.806 -11.005 -11.666
  331   2HB   ASN  40          1HB       ASN  40   2.109 -10.382 -13.162
  332   1HD2  ASN  40          1HD2      ASN  40   5.060 -10.437 -11.184
  333   2HD2  ASN  40          2HD2      ASN  40   6.074  -9.771 -12.371
  334    H    LYS  41           H        LYS  41   0.940  -9.902  -9.441
  335    HA   LYS  41           HA       LYS  41  -1.740  -9.896 -10.762
  336   1HB   LYS  41          2HB       LYS  41  -0.388 -11.860  -9.233
  337   2HB   LYS  41          1HB       LYS  41  -1.725 -11.284  -8.240
  338   1HG   LYS  41          2HG       LYS  41  -2.310 -11.800 -11.117
  339   2HG   LYS  41          1HG       LYS  41  -2.044 -13.209 -10.089
  340   1HD   LYS  41          2HD       LYS  41  -3.690 -11.701  -8.503
  341   2HD   LYS  41          1HD       LYS  41  -4.296 -11.296 -10.109
  342   1HE   LYS  41          2HE       LYS  41  -4.003 -13.990 -10.360
  343   2HE   LYS  41          1HE       LYS  41  -4.394 -13.870  -8.647
  344   1HZ   LYS  41          1HZ       LYS  41  -6.308 -12.447  -9.315
  345   2HZ   LYS  41          2HZ       LYS  41  -6.418 -14.062  -9.835
  346   3HZ   LYS  41          3HZ       LYS  41  -5.977 -12.844 -10.934
  347    H    ILE  42           H        ILE  42  -0.006  -7.889  -8.815
  348    HA   ILE  42           HA       ILE  42  -2.318  -7.234  -7.049
  349    HB   ILE  42           HB       ILE  42   0.623  -6.514  -6.883
  350   1HG1  ILE  42          2HG1      ILE  42  -1.151  -7.885  -4.849
  351   2HG1  ILE  42          1HG1      ILE  42  -0.291  -8.788  -6.095
  352   1HG2  ILE  42          1HG2      ILE  42  -0.069  -4.606  -5.870
  353   2HG2  ILE  42          2HG2      ILE  42  -0.590  -5.645  -4.545
  354   3HG2  ILE  42          3HG2      ILE  42  -1.741  -5.159  -5.789
  355   1HD1  ILE  42          1HD1      ILE  42   0.734  -7.599  -3.632
  356   2HD1  ILE  42          2HD1      ILE  42   1.657  -7.093  -5.046
  357   3HD1  ILE  42          3HD1      ILE  42   1.472  -8.808  -4.682
  358    H    VAL  43           H        VAL  43  -3.448  -5.398  -7.388
  359    HA   VAL  43           HA       VAL  43  -2.349  -3.359  -9.286
  360    HB   VAL  43           HB       VAL  43  -5.240  -4.252  -8.982
  361   1HG1  VAL  43          1HG1      VAL  43  -4.705  -1.791  -9.573
  362   2HG1  VAL  43          2HG1      VAL  43  -5.794  -2.667 -10.650
  363   3HG1  VAL  43          3HG1      VAL  43  -4.106  -2.429 -11.105
  364   1HG2  VAL  43          1HG2      VAL  43  -5.015  -5.419 -11.004
  365   2HG2  VAL  43          2HG2      VAL  43  -3.472  -5.749 -10.219
  366   3HG2  VAL  43          3HG2      VAL  43  -3.574  -4.518 -11.477
  367    H    LEU  44           H        LEU  44  -1.856  -1.620  -8.005
  368    HA   LEU  44           HA       LEU  44  -3.579  -1.025  -5.655
  369   1HB   LEU  44          2HB       LEU  44  -0.762  -0.712  -6.262
  370   2HB   LEU  44          1HB       LEU  44  -1.462   0.824  -5.751
  371    HG   LEU  44           HG       LEU  44  -2.541  -1.179  -4.047
  372   1HD1  LEU  44          1HD1      LEU  44   0.461  -1.261  -3.905
  373   2HD1  LEU  44          2HD1      LEU  44  -0.397  -2.381  -4.960
  374   3HD1  LEU  44          3HD1      LEU  44  -0.714  -2.386  -3.225
  375   1HD2  LEU  44          1HD2      LEU  44  -2.018   1.267  -3.610
  376   2HD2  LEU  44          2HD2      LEU  44  -0.325   0.801  -3.447
  377   3HD2  LEU  44          3HD2      LEU  44  -1.527   0.165  -2.323
  378    H    GLN  45           H        GLN  45  -4.500   1.058  -5.350
  379    HA   GLN  45           HA       GLN  45  -4.462   2.902  -7.694
  380   1HB   GLN  45          2HB       GLN  45  -7.028   2.202  -6.245
  381   2HB   GLN  45          1HB       GLN  45  -6.844   3.089  -7.756
  382   1HG   GLN  45          2HG       GLN  45  -5.687   0.854  -8.570
  383   2HG   GLN  45          1HG       GLN  45  -6.617   0.142  -7.251
  384   1HE2  GLN  45          1HE2      GLN  45  -6.874   1.717 -10.409
  385   2HE2  GLN  45          2HE2      GLN  45  -8.536   1.437 -10.612
  386    H    LYS  46           H        LYS  46  -4.697   5.101  -7.118
  387    HA   LYS  46           HA       LYS  46  -4.285   5.693  -4.250
  388   1HB   LYS  46          2HB       LYS  46  -3.658   6.995  -6.798
  389   2HB   LYS  46          1HB       LYS  46  -4.338   8.117  -5.621
  390   1HG   LYS  46          2HG       LYS  46  -2.250   6.219  -4.645
  391   2HG   LYS  46          1HG       LYS  46  -1.718   7.551  -5.672
  392   1HD   LYS  46          2HD       LYS  46  -2.205   9.138  -4.103
  393   2HD   LYS  46          1HD       LYS  46  -3.636   8.281  -3.534
  394   1HE   LYS  46          2HE       LYS  46  -1.786   6.553  -2.669
  395   2HE   LYS  46          1HE       LYS  46  -0.794   8.008  -2.665
  396   1HZ   LYS  46          1HZ       LYS  46  -1.915   7.680  -0.547
  397   2HZ   LYS  46          2HZ       LYS  46  -3.426   7.713  -1.321
  398   3HZ   LYS  46          3HZ       LYS  46  -2.448   9.103  -1.301
  399    H    GLY  47           H        GLY  47  -6.351   7.110  -6.826
  400   1HA   GLY  47          2HA       GLY  47  -8.697   7.036  -5.039
  401   2HA   GLY  47          1HA       GLY  47  -8.129   8.649  -5.476
  402    H    GLY  48           H        GLY  48  -8.887   5.528  -7.055
  403   1HA   GLY  48          2HA       GLY  48 -10.467   5.228  -8.837
  404   2HA   GLY  48          1HA       GLY  48 -10.497   6.975  -9.077
  405    H    SER  49           H        SER  49  -7.294   5.928  -8.746
  406    HA   SER  49           HA       SER  49  -6.974   5.516 -11.683
  407   1HB   SER  49          2HB       SER  49  -4.952   6.973 -11.609
  408   2HB   SER  49          1HB       SER  49  -6.427   7.857 -11.234
  409    HG   SER  49           HG       SER  49  -4.872   8.371  -9.710
  410    H    VAL  50           H        VAL  50  -5.374   4.022 -12.227
  411    HA   VAL  50           HA       VAL  50  -4.458   2.270 -10.074
  412    HB   VAL  50           HB       VAL  50  -5.206   1.425 -12.314
  413   1HG1  VAL  50          1HG1      VAL  50  -4.265   2.128 -14.242
  414   2HG1  VAL  50          2HG1      VAL  50  -2.633   1.892 -13.617
  415   3HG1  VAL  50          3HG1      VAL  50  -3.494   3.397 -13.291
  416   1HG2  VAL  50          1HG2      VAL  50  -3.775   0.054 -10.836
  417   2HG2  VAL  50          2HG2      VAL  50  -2.336   0.774 -11.560
  418   3HG2  VAL  50          3HG2      VAL  50  -3.399  -0.243 -12.533
  419    H    LEU  51           H        LEU  51  -2.341   2.001  -9.348
  420    HA   LEU  51           HA       LEU  51  -0.498   4.243  -9.946
  421   1HB   LEU  51          2HB       LEU  51  -0.126   2.030  -7.910
  422   2HB   LEU  51          1HB       LEU  51   0.703   3.584  -7.966
  423    HG   LEU  51           HG       LEU  51  -2.272   3.194  -7.499
  424   1HD1  LEU  51          1HD1      LEU  51  -1.842   3.810  -5.218
  425   2HD1  LEU  51          2HD1      LEU  51  -0.161   4.202  -5.578
  426   3HD1  LEU  51          3HD1      LEU  51  -0.704   2.525  -5.620
  427   1HD2  LEU  51          1HD2      LEU  51  -2.528   5.462  -7.613
  428   2HD2  LEU  51          2HD2      LEU  51  -1.081   5.383  -8.617
  429   3HD2  LEU  51          3HD2      LEU  51  -0.944   5.776  -6.905
  430    H    LYS  52           H        LYS  52   1.083   3.985 -11.415
  431    HA   LYS  52           HA       LYS  52   1.716   1.302 -12.458
  432   1HB   LYS  52          2HB       LYS  52   1.752   3.962 -13.483
  433   2HB   LYS  52          1HB       LYS  52   3.400   3.341 -13.571
  434   1HG   LYS  52          2HG       LYS  52   2.507   1.273 -14.669
  435   2HG   LYS  52          1HG       LYS  52   0.910   2.018 -14.681
  436   1HD   LYS  52          2HD       LYS  52   3.244   3.500 -15.854
  437   2HD   LYS  52          1HD       LYS  52   2.444   2.246 -16.799
  438   1HE   LYS  52          2HE       LYS  52   0.911   3.794 -17.376
  439   2HE   LYS  52          1HE       LYS  52   0.342   3.737 -15.710
  440   1HZ   LYS  52          1HZ       LYS  52   2.555   5.486 -16.634
  441   2HZ   LYS  52          2HZ       LYS  52   1.785   5.513 -15.120
  442   3HZ   LYS  52          3HZ       LYS  52   0.941   5.994 -16.511
  443    H    ASP  53           H        ASP  53   3.669   0.251 -12.202
  444    HA   ASP  53           HA       ASP  53   5.257   0.747  -9.887
  445   1HB   ASP  53          2HB       ASP  53   6.173  -0.783 -12.333
  446   2HB   ASP  53          1HB       ASP  53   6.699  -1.009 -10.667
  447    H    HIS  54           H        HIS  54   5.554   1.929 -13.182
  448    HA   HIS  54           HA       HIS  54   8.299   2.806 -13.015
  449   1HB   HIS  54          2HB       HIS  54   6.032   3.116 -14.877
  450   2HB   HIS  54          1HB       HIS  54   7.132   4.492 -14.849
  451    HD1  HIS  54           HD1      HIS  54   9.494   4.149 -15.778
  452    HD2  HIS  54           HD2      HIS  54   7.250   0.642 -15.714
  453    HE1  HIS  54           HE1      HIS  54  10.798   2.439 -17.116
  454    H    ILE  55           H        ILE  55   5.299   4.142 -11.822
  455    HA   ILE  55           HA       ILE  55   6.409   6.858 -11.528
  456    HB   ILE  55           HB       ILE  55   3.825   5.745 -10.401
  457   1HG1  ILE  55          2HG1      ILE  55   3.799   5.406 -12.811
  458   2HG1  ILE  55          1HG1      ILE  55   2.773   6.787 -12.430
  459   1HG2  ILE  55          1HG2      ILE  55   4.261   7.816  -9.358
  460   2HG2  ILE  55          2HG2      ILE  55   3.231   8.257 -10.720
  461   3HG2  ILE  55          3HG2      ILE  55   4.975   8.503 -10.817
  462   1HD1  ILE  55          1HD1      ILE  55   5.225   6.682 -14.019
  463   2HD1  ILE  55          2HD1      ILE  55   5.285   7.928 -12.772
  464   3HD1  ILE  55          3HD1      ILE  55   3.981   7.930 -13.958
  465    H    SER  56           H        SER  56   6.938   7.823  -9.535
  466    HA   SER  56           HA       SER  56   7.788   5.947  -7.436
  467   1HB   SER  56          2HB       SER  56   8.969   8.173  -8.375
  468   2HB   SER  56          1HB       SER  56   8.051   8.886  -7.053
  469    HG   SER  56           HG       SER  56  10.002   8.208  -6.231
  470    H    LEU  57           H        LEU  57   7.088   6.116  -5.220
  471    HA   LEU  57           HA       LEU  57   4.295   6.552  -4.833
  472   1HB   LEU  57          2HB       LEU  57   6.576   6.402  -2.841
  473   2HB   LEU  57          1HB       LEU  57   4.878   6.470  -2.368
  474    HG   LEU  57           HG       LEU  57   5.962   4.378  -4.271
  475   1HD1  LEU  57          1HD1      LEU  57   5.943   2.846  -2.318
  476   2HD1  LEU  57          2HD1      LEU  57   5.568   4.210  -1.266
  477   3HD1  LEU  57          3HD1      LEU  57   7.113   4.148  -2.114
  478   1HD2  LEU  57          1HD2      LEU  57   3.868   3.404  -4.128
  479   2HD2  LEU  57          2HD2      LEU  57   3.409   5.092  -3.909
  480   3HD2  LEU  57          3HD2      LEU  57   3.569   4.034  -2.508
  481    H    GLU  58           H        GLU  58   7.097   8.667  -4.336
  482    HA   GLU  58           HA       GLU  58   5.740  10.784  -2.960
  483   1HB   GLU  58          2HB       GLU  58   8.349  10.317  -4.052
  484   2HB   GLU  58          1HB       GLU  58   7.779  11.879  -4.638
  485   1HG   GLU  58          2HG       GLU  58   7.530  12.749  -2.470
  486   2HG   GLU  58          1HG       GLU  58   7.482  11.147  -1.732
  487    H    ASP  59           H        ASP  59   6.098  10.010  -6.408
  488    HA   ASP  59           HA       ASP  59   5.041  12.480  -7.436
  489   1HB   ASP  59          2HB       ASP  59   5.223   9.676  -8.557
  490   2HB   ASP  59          1HB       ASP  59   4.476  10.989  -9.465
  491    H    TYR  60           H        TYR  60   3.506   9.349  -6.652
  492    HA   TYR  60           HA       TYR  60   0.835  10.214  -7.363
  493   1HB   TYR  60          2HB       TYR  60   1.992   7.874  -5.872
  494   2HB   TYR  60          1HB       TYR  60   0.254   8.166  -5.817
  495    HD1  TYR  60           HD1      TYR  60   2.392   6.102  -7.351
  496    HD2  TYR  60           HD2      TYR  60  -0.412   9.166  -8.454
  497    HE1  TYR  60           HE1      TYR  60   2.144   5.073  -9.593
  498    HE2  TYR  60           HE2      TYR  60  -0.656   8.137 -10.694
  499    HH   TYR  60           HH       TYR  60  -0.308   5.635 -11.616
  500    H    GLU  61           H        GLU  61   2.847  10.798  -4.632
  501    HA   GLU  61           HA       GLU  61   2.476  12.133  -2.753
  502   1HB   GLU  61          2HB       GLU  61   0.345  12.852  -4.460
  503   2HB   GLU  61          1HB       GLU  61  -0.393  12.522  -2.894
  504   1HG   GLU  61          2HG       GLU  61   0.215  14.791  -2.733
  505   2HG   GLU  61          1HG       GLU  61   1.544  13.960  -1.924
  506    H    VAL  62           H        VAL  62   2.867   9.870  -1.899
  507    HA   VAL  62           HA       VAL  62   0.461   8.659  -0.632
  508    HB   VAL  62           HB       VAL  62   3.325   7.661  -0.828
  509   1HG1  VAL  62          1HG1      VAL  62   2.483   6.632   1.106
  510   2HG1  VAL  62          2HG1      VAL  62   2.065   5.470  -0.154
  511   3HG1  VAL  62          3HG1      VAL  62   0.839   6.571   0.473
  512   1HG2  VAL  62          1HG2      VAL  62   1.812   7.775  -2.932
  513   2HG2  VAL  62          2HG2      VAL  62   0.879   6.494  -2.159
  514   3HG2  VAL  62          3HG2      VAL  62   2.576   6.231  -2.558
  515    H    HIS  63           H        HIS  63  -0.016   9.535   1.324
  516    HA   HIS  63           HA       HIS  63   2.151  10.691   2.986
  517   1HB   HIS  63          2HB       HIS  63  -0.869  10.760   3.258
  518   2HB   HIS  63          1HB       HIS  63   0.247  11.544   4.376
  519    HD1  HIS  63           HD1      HIS  63  -1.035  11.745   0.843
  520    HD2  HIS  63           HD2      HIS  63   1.483  13.894   3.375
  521    HE1  HIS  63           HE1      HIS  63  -0.556  13.943  -0.321
  522    H    ASP  64           H        ASP  64   1.975  10.267   5.411
  523    HA   ASP  64           HA       ASP  64   2.179   7.425   5.906
  524   1HB   ASP  64          2HB       ASP  64   3.469   9.222   7.130
  525   2HB   ASP  64          1HB       ASP  64   1.974   9.645   7.963
  526    H    GLN  65           H        GLN  65   0.694   6.039   6.802
  527    HA   GLN  65           HA       GLN  65  -1.368   5.209   7.517
  528   1HB   GLN  65          2HB       GLN  65  -0.924   7.644   8.998
  529   2HB   GLN  65          1HB       GLN  65  -2.643   7.486   8.636
  530   1HG   GLN  65          2HG       GLN  65  -2.570   6.204  10.547
  531   2HG   GLN  65          1HG       GLN  65  -2.169   4.953   9.371
  532   1HE2  GLN  65          1HE2      GLN  65   0.135   4.327   9.173
  533   2HE2  GLN  65          2HE2      GLN  65   1.231   4.681  10.420
  534    H    THR  66           H        THR  66  -1.105   6.333   4.842
  535    HA   THR  66           HA       THR  66  -3.663   7.705   4.307
  536    HB   THR  66           HB       THR  66  -1.491   8.257   3.101
  537    HG1  THR  66           HG1      THR  66  -2.953   9.035   1.838
  538   1HG2  THR  66          1HG2      THR  66  -1.259   5.562   2.770
  539   2HG2  THR  66          2HG2      THR  66  -0.434   6.751   1.763
  540   3HG2  THR  66          3HG2      THR  66  -1.943   6.027   1.213
  541    H    ASN  67           H        ASN  67  -5.253   6.790   2.815
  542    HA   ASN  67           HA       ASN  67  -5.431   3.833   3.083
  543   1HB   ASN  67          2HB       ASN  67  -7.308   5.882   3.423
  544   2HB   ASN  67          1HB       ASN  67  -7.748   5.133   1.887
  545   1HD2  ASN  67          1HD2      ASN  67  -8.344   2.830   1.915
  546   2HD2  ASN  67          2HD2      ASN  67  -8.742   2.050   3.368
  547    H    LEU  68           H        LEU  68  -4.988   2.580   1.356
  548    HA   LEU  68           HA       LEU  68  -5.058   3.819  -1.370
  549   1HB   LEU  68          2HB       LEU  68  -3.261   1.696  -0.179
  550   2HB   LEU  68          1HB       LEU  68  -3.396   1.941  -1.919
  551    HG   LEU  68           HG       LEU  68  -2.958   4.409  -0.348
  552   1HD1  LEU  68          1HD1      LEU  68  -0.993   2.126  -0.383
  553   2HD1  LEU  68          2HD1      LEU  68  -1.434   3.185   0.956
  554   3HD1  LEU  68          3HD1      LEU  68  -0.420   3.793  -0.353
  555   1HD2  LEU  68          1HD2      LEU  68  -1.230   4.660  -2.229
  556   2HD2  LEU  68          2HD2      LEU  68  -2.918   4.568  -2.729
  557   3HD2  LEU  68          3HD2      LEU  68  -1.876   3.154  -2.880
  558    H    GLU  69           H        GLU  69  -5.516   2.176  -3.137
  559    HA   GLU  69           HA       GLU  69  -7.632   0.279  -2.209
  560   1HB   GLU  69          2HB       GLU  69  -7.617   2.252  -4.241
  561   2HB   GLU  69          1HB       GLU  69  -7.629   0.693  -5.064
  562   1HG   GLU  69          2HG       GLU  69  -9.425   0.707  -2.768
  563   2HG   GLU  69          1HG       GLU  69  -9.836   1.974  -3.923
  564    H    LEU  70           H        LEU  70  -7.577  -1.877  -2.904
  565    HA   LEU  70           HA       LEU  70  -5.122  -2.727  -4.394
  566   1HB   LEU  70          2HB       LEU  70  -5.051  -3.271  -1.944
  567   2HB   LEU  70          1HB       LEU  70  -6.503  -4.244  -2.158
  568    HG   LEU  70           HG       LEU  70  -5.318  -5.690  -3.761
  569   1HD1  LEU  70          1HD1      LEU  70  -3.612  -4.667  -4.867
  570   2HD1  LEU  70          2HD1      LEU  70  -2.637  -5.159  -3.482
  571   3HD1  LEU  70          3HD1      LEU  70  -3.316  -3.532  -3.550
  572   1HD2  LEU  70          1HD2      LEU  70  -5.128  -6.584  -1.616
  573   2HD2  LEU  70          2HD2      LEU  70  -4.188  -5.218  -1.019
  574   3HD2  LEU  70          3HD2      LEU  70  -3.431  -6.421  -2.064
  575    H    TYR  71           H        TYR  71  -5.388  -4.505  -5.818
  576    HA   TYR  71           HA       TYR  71  -8.054  -5.715  -6.157
  577   1HB   TYR  71          2HB       TYR  71  -6.986  -3.603  -7.925
  578   2HB   TYR  71          1HB       TYR  71  -7.534  -5.049  -8.772
  579    HD1  TYR  71           HD1      TYR  71  -8.584  -1.940  -7.674
  580    HD2  TYR  71           HD2      TYR  71  -9.831  -6.053  -7.636
  581    HE1  TYR  71           HE1      TYR  71 -10.938  -1.225  -7.368
  582    HE2  TYR  71           HE2      TYR  71 -12.184  -5.336  -7.327
  583    HH   TYR  71           HH       TYR  71 -13.484  -2.967  -7.988
  584    H    TYR  72           H        TYR  72  -7.909  -7.738  -7.186
  585    HA   TYR  72           HA       TYR  72  -5.126  -8.684  -7.668
  586   1HB   TYR  72          2HB       TYR  72  -7.689 -10.240  -7.185
  587   2HB   TYR  72          1HB       TYR  72  -6.100 -10.964  -7.438
  588    HD1  TYR  72           HD1      TYR  72  -8.297 -10.411  -4.935
  589    HD2  TYR  72           HD2      TYR  72  -4.248  -9.385  -5.941
  590    HE1  TYR  72           HE1      TYR  72  -7.775 -10.108  -2.530
  591    HE2  TYR  72           HE2      TYR  72  -3.725  -9.083  -3.537
  592    HH   TYR  72           HH       TYR  72  -5.625  -8.494  -1.309
  593    H    LEU  73           HN       LEU  73  -4.609  -8.353  -9.778
  594    HA   LEU  73           HA       LEU  73  -6.330  -9.641 -11.828
  595   1HB   LEU  73          2HB       LEU  73  -6.330  -6.875 -11.480
  596   2HB   LEU  73          1HB       LEU  73  -5.177  -7.122 -12.789
  597    HG   LEU  73           HG       LEU  73  -7.464  -6.829 -13.667
  598   1HD1  LEU  73          1HD1      LEU  73  -7.507  -8.775 -15.111
  599   2HD1  LEU  73          2HD1      LEU  73  -6.553  -9.705 -13.955
  600   3HD1  LEU  73          3HD1      LEU  73  -5.823  -8.346 -14.809
  601   1HD2  LEU  73          1HD2      LEU  73  -8.478  -7.904 -11.535
  602   2HD2  LEU  73          2HD2      LEU  73  -8.200  -9.444 -12.350
  603   3HD2  LEU  73          3HD2      LEU  73  -9.265  -8.240 -13.077
  Start of MODEL   20
    1    H    MET   1           1H       MET   1  10.917   5.958   7.072
    2    HA   MET   1           HA       MET   1   9.682   4.686   4.688
    3   1HB   MET   1          2HB       MET   1  11.313   3.578   6.714
    4   2HB   MET   1          1HB       MET   1   9.658   3.127   7.126
    5   1HG   MET   1          2HG       MET   1   9.350   1.924   5.161
    6   2HG   MET   1          1HG       MET   1  10.561   2.855   4.281
    7   1HE   MET   1          1HE       MET   1  11.662  -0.340   3.712
    8   2HE   MET   1          2HE       MET   1  13.032   0.763   3.741
    9   3HE   MET   1          3HE       MET   1  11.452   1.346   3.220
   10    H    ILE   2           H        ILE   2   7.465   4.607   4.762
   11    HA   ILE   2           HA       ILE   2   6.138   5.687   7.221
   12    HB   ILE   2           HB       ILE   2   4.354   6.532   5.723
   13   1HG1  ILE   2          2HG1      ILE   2   6.175   5.894   3.398
   14   2HG1  ILE   2          1HG1      ILE   2   4.929   4.760   3.917
   15   1HG2  ILE   2          1HG2      ILE   2   5.752   8.311   6.051
   16   2HG2  ILE   2          2HG2      ILE   2   6.120   8.071   4.343
   17   3HG2  ILE   2          3HG2      ILE   2   7.186   7.403   5.578
   18   1HD1  ILE   2          1HD1      ILE   2   3.643   7.252   3.819
   19   2HD1  ILE   2          2HD1      ILE   2   3.466   5.930   2.667
   20   3HD1  ILE   2          3HD1      ILE   2   4.651   7.202   2.374
   21    H    GLU   3           H        GLU   3   3.902   4.854   7.562
   22    HA   GLU   3           HA       GLU   3   3.669   2.016   6.634
   23   1HB   GLU   3          2HB       GLU   3   3.907   2.871   9.214
   24   2HB   GLU   3          1HB       GLU   3   2.153   2.863   9.036
   25   1HG   GLU   3          2HG       GLU   3   3.886   0.517   8.226
   26   2HG   GLU   3          1HG       GLU   3   3.191   0.674   9.839
   27    H    VAL   4           H        VAL   4   2.227   2.055   4.971
   28    HA   VAL   4           HA       VAL   4  -0.257   3.690   5.290
   29    HB   VAL   4           HB       VAL   4  -0.474   3.564   2.844
   30   1HG1  VAL   4          1HG1      VAL   4   0.761   5.458   3.554
   31   2HG1  VAL   4          2HG1      VAL   4   1.746   4.743   2.278
   32   3HG1  VAL   4          3HG1      VAL   4   2.173   4.486   3.970
   33   1HG2  VAL   4          1HG2      VAL   4   2.017   1.858   3.087
   34   2HG2  VAL   4          2HG2      VAL   4   1.525   2.614   1.574
   35   3HG2  VAL   4          3HG2      VAL   4   0.479   1.421   2.344
   36    H    VAL   5           H        VAL   5  -2.255   2.650   4.302
   37    HA   VAL   5           HA       VAL   5  -2.180  -0.323   4.648
   38    HB   VAL   5           HB       VAL   5  -4.535  -0.100   5.566
   39   1HG1  VAL   5          1HG1      VAL   5  -2.298   1.226   7.129
   40   2HG1  VAL   5          2HG1      VAL   5  -2.572  -0.512   7.006
   41   3HG1  VAL   5          3HG1      VAL   5  -3.753   0.511   7.823
   42   1HG2  VAL   5          1HG2      VAL   5  -4.630   2.363   4.662
   43   2HG2  VAL   5          2HG2      VAL   5  -3.809   2.762   6.171
   44   3HG2  VAL   5          3HG2      VAL   5  -5.394   1.991   6.207
   45    H    VAL   6           H        VAL   6  -3.529  -1.521   3.263
   46    HA   VAL   6           HA       VAL   6  -4.812   0.037   1.053
   47    HB   VAL   6           HB       VAL   6  -4.238  -2.151  -0.298
   48   1HG1  VAL   6          1HG1      VAL   6  -3.355   0.249  -0.545
   49   2HG1  VAL   6          2HG1      VAL   6  -2.346  -1.044  -1.190
   50   3HG1  VAL   6          3HG1      VAL   6  -1.945  -0.302   0.359
   51   1HG2  VAL   6          1HG2      VAL   6  -3.292  -3.181   1.895
   52   2HG2  VAL   6          2HG2      VAL   6  -1.892  -2.149   1.602
   53   3HG2  VAL   6          3HG2      VAL   6  -2.347  -3.374   0.418
   54    H    ASN   7           H        ASN   7  -6.854  -0.611   0.448
   55    HA   ASN   7           HA       ASN   7  -7.971  -3.047   1.776
   56   1HB   ASN   7          2HB       ASN   7 -10.162  -1.783   1.883
   57   2HB   ASN   7          1HB       ASN   7  -8.903  -1.162   2.947
   58   1HD2  ASN   7          1HD2      ASN   7  -7.944   0.928   2.421
   59   2HD2  ASN   7          2HD2      ASN   7  -8.630   1.952   1.252
   60    H    ASP   8           H        ASP   8  -9.195  -4.382   0.455
   61    HA   ASP   8           HA       ASP   8  -9.029  -3.913  -2.419
   62   1HB   ASP   8          2HB       ASP   8  -9.983  -6.147  -0.664
   63   2HB   ASP   8          1HB       ASP   8 -10.522  -6.108  -2.343
   64    H    ARG   9           H        ARG   9 -11.978  -5.049  -0.749
   65    HA   ARG   9           HA       ARG   9 -13.552  -2.704  -1.231
   66   1HB   ARG   9          2HB       ARG   9 -12.996  -4.014  -3.594
   67   2HB   ARG   9          1HB       ARG   9 -14.553  -4.706  -3.140
   68   1HG   ARG   9          2HG       ARG   9 -15.662  -2.756  -3.483
   69   2HG   ARG   9          1HG       ARG   9 -14.378  -1.788  -2.760
   70   1HD   ARG   9          2HD       ARG   9 -13.031  -2.255  -4.887
   71   2HD   ARG   9          1HD       ARG   9 -14.537  -2.853  -5.584
   72    HE   ARG   9           HE       ARG   9 -15.480  -0.545  -5.091
   73   1HH1  ARG   9          2HH1      ARG   9 -13.105   0.452  -3.547
   74   2HH1  ARG   9          1HH1      ARG   9 -12.272   1.395  -4.739
   75   1HH2  ARG   9          1HH2      ARG   9 -13.985  -0.009  -7.421
   76   2HH2  ARG   9          2HH2      ARG   9 -12.774   1.132  -6.942
   77    H    LEU  10           H        LEU  10 -13.926  -6.277  -1.476
   78    HA   LEU  10           HA       LEU  10 -16.490  -6.312  -0.175
   79   1HB   LEU  10          2HB       LEU  10 -14.572  -8.263  -1.194
   80   2HB   LEU  10          1HB       LEU  10 -15.331  -8.809   0.301
   81    HG   LEU  10           HG       LEU  10 -17.272  -7.572  -1.484
   82   1HD1  LEU  10          1HD1      LEU  10 -16.918 -10.026  -2.790
   83   2HD1  LEU  10          2HD1      LEU  10 -15.295  -9.342  -2.683
   84   3HD1  LEU  10          3HD1      LEU  10 -16.589  -8.427  -3.456
   85   1HD2  LEU  10          1HD2      LEU  10 -17.416  -9.260   0.559
   86   2HD2  LEU  10          2HD2      LEU  10 -17.246 -10.469  -0.713
   87   3HD2  LEU  10          3HD2      LEU  10 -18.595  -9.334  -0.751
   88    H    GLY  11           H        GLY  11 -13.331  -7.455   1.114
   89   1HA   GLY  11          2HA       GLY  11 -13.609  -6.053   3.610
   90   2HA   GLY  11          1HA       GLY  11 -14.133  -7.725   3.802
   91    H    LYS  12           H        LYS  12 -11.450  -6.124   2.041
   92    HA   LYS  12           HA       LYS  12  -9.573  -8.003   3.427
   93   1HB   LYS  12          2HB       LYS  12 -10.128  -7.819   0.651
   94   2HB   LYS  12          1HB       LYS  12  -8.538  -7.099   0.890
   95   1HG   LYS  12          2HG       LYS  12  -7.678  -9.069   1.909
   96   2HG   LYS  12          1HG       LYS  12  -9.291  -9.754   2.115
   97   1HD   LYS  12          2HD       LYS  12  -8.546  -9.073  -0.672
   98   2HD   LYS  12          1HD       LYS  12  -7.643 -10.403   0.051
   99   1HE   LYS  12          2HE       LYS  12  -9.418 -11.675  -0.585
  100   2HE   LYS  12          1HE       LYS  12 -10.198 -10.998   0.844
  101   1HZ   LYS  12          1HZ       LYS  12 -10.288  -9.474  -1.663
  102   2HZ   LYS  12          2HZ       LYS  12 -11.414  -9.534  -0.390
  103   3HZ   LYS  12          3HZ       LYS  12 -11.308 -10.819  -1.497
  104    H    LYS  13           H        LYS  13  -8.529  -6.691   4.879
  105    HA   LYS  13           HA       LYS  13  -7.482  -4.067   3.872
  106   1HB   LYS  13          2HB       LYS  13  -9.135  -4.621   6.131
  107   2HB   LYS  13          1HB       LYS  13  -7.549  -4.153   6.745
  108   1HG   LYS  13          2HG       LYS  13  -7.889  -2.321   4.746
  109   2HG   LYS  13          1HG       LYS  13  -9.553  -2.544   5.281
  110   1HD   LYS  13          2HD       LYS  13  -8.962  -1.999   7.564
  111   2HD   LYS  13          1HD       LYS  13  -7.246  -1.968   7.157
  112   1HE   LYS  13          2HE       LYS  13  -9.288  -0.129   5.885
  113   2HE   LYS  13          1HE       LYS  13  -8.335   0.316   7.298
  114   1HZ   LYS  13          1HZ       LYS  13  -7.111   1.118   5.513
  115   2HZ   LYS  13          2HZ       LYS  13  -7.397  -0.257   4.558
  116   3HZ   LYS  13          3HZ       LYS  13  -6.342  -0.345   5.886
  117    H    VAL  14           H        VAL  14  -5.305  -4.161   3.610
  118    HA   VAL  14           HA       VAL  14  -3.714  -5.799   5.551
  119    HB   VAL  14           HB       VAL  14  -2.166  -5.586   3.214
  120   1HG1  VAL  14          1HG1      VAL  14  -2.157  -7.923   3.321
  121   2HG1  VAL  14          2HG1      VAL  14  -3.833  -8.005   3.864
  122   3HG1  VAL  14          3HG1      VAL  14  -2.571  -7.465   4.973
  123   1HG2  VAL  14          1HG2      VAL  14  -4.169  -4.983   1.919
  124   2HG2  VAL  14          2HG2      VAL  14  -5.026  -6.387   2.556
  125   3HG2  VAL  14          3HG2      VAL  14  -3.639  -6.610   1.489
  126    H    ARG  15           H        ARG  15  -1.606  -4.956   6.068
  127    HA   ARG  15           HA       ARG  15  -1.335  -2.025   5.529
  128   1HB   ARG  15          2HB       ARG  15  -0.036  -1.933   7.645
  129   2HB   ARG  15          1HB       ARG  15  -1.676  -2.520   7.905
  130   1HG   ARG  15          2HG       ARG  15  -0.877  -4.425   8.796
  131   2HG   ARG  15          1HG       ARG  15   0.014  -4.768   7.313
  132   1HD   ARG  15          2HD       ARG  15   1.127  -2.720   9.192
  133   2HD   ARG  15          1HD       ARG  15   1.289  -4.421   9.621
  134    HE   ARG  15           HE       ARG  15   2.142  -4.206   6.946
  135   1HH1  ARG  15          1HH2      ARG  15   3.878  -5.278   9.116
  136   2HH1  ARG  15          2HH2      ARG  15   5.163  -4.119   9.179
  137   1HH2  ARG  15          2HH1      ARG  15   3.404  -1.687   7.414
  138   2HH2  ARG  15          1HH1      ARG  15   4.891  -2.072   8.213
  139    H    VAL  16           H        VAL  16   0.785  -1.214   5.042
  140    HA   VAL  16           HA       VAL  16   2.994  -3.127   4.685
  141    HB   VAL  16           HB       VAL  16   1.695  -3.392   2.597
  142   1HG1  VAL  16          1HG1      VAL  16   1.338  -1.545   1.087
  143   2HG1  VAL  16          2HG1      VAL  16   2.272  -0.456   2.112
  144   3HG1  VAL  16          3HG1      VAL  16   0.713  -1.067   2.664
  145   1HG2  VAL  16          1HG2      VAL  16   4.188  -3.527   2.562
  146   2HG2  VAL  16          2HG2      VAL  16   4.252  -1.811   2.161
  147   3HG2  VAL  16          3HG2      VAL  16   3.526  -2.954   1.032
  148    H    LYS  17           H        LYS  17   4.976  -2.102   4.838
  149    HA   LYS  17           HA       LYS  17   4.900   0.870   5.138
  150   1HB   LYS  17          2HB       LYS  17   7.067   0.539   6.402
  151   2HB   LYS  17          1HB       LYS  17   5.650  -0.174   7.169
  152   1HG   LYS  17          2HG       LYS  17   6.408  -2.304   6.881
  153   2HG   LYS  17          1HG       LYS  17   7.066  -1.959   5.283
  154   1HD   LYS  17          2HD       LYS  17   8.858  -0.576   6.555
  155   2HD   LYS  17          1HD       LYS  17   8.331  -1.483   7.974
  156   1HE   LYS  17          2HE       LYS  17  10.043  -2.845   7.151
  157   2HE   LYS  17          1HE       LYS  17   8.617  -3.571   6.408
  158   1HZ   LYS  17          1HZ       LYS  17   9.917  -3.318   4.581
  159   2HZ   LYS  17          2HZ       LYS  17  10.738  -1.964   5.195
  160   3HZ   LYS  17          3HZ       LYS  17   9.170  -1.796   4.563
  161    H    CYS  18           H        CYS  18   6.143   2.139   3.832
  162    HA   CYS  18           HA       CYS  18   8.439   1.082   2.348
  163   1HB   CYS  18          2HB       CYS  18   7.491   1.662   0.111
  164   2HB   CYS  18          1HB       CYS  18   6.630   0.329   0.881
  165    HG   CYS  18           HG       CYS  18   4.627   1.841   1.310
  166    H    LEU  19           H        LEU  19   9.577   2.856   1.182
  167    HA   LEU  19           HA       LEU  19   9.274   5.401   2.617
  168   1HB   LEU  19          2HB       LEU  19  11.396   4.029   1.284
  169   2HB   LEU  19          1HB       LEU  19  11.188   5.592   0.496
  170    HG   LEU  19           HG       LEU  19  11.190   5.461   3.494
  171   1HD1  LEU  19          1HD1      LEU  19  13.725   5.703   1.861
  172   2HD1  LEU  19          2HD1      LEU  19  13.192   4.173   2.559
  173   3HD1  LEU  19          3HD1      LEU  19  13.573   5.536   3.610
  174   1HD2  LEU  19          1HD2      LEU  19  11.069   7.688   3.158
  175   2HD2  LEU  19          2HD2      LEU  19  11.230   7.467   1.417
  176   3HD2  LEU  19          3HD2      LEU  19  12.670   7.630   2.421
  177    H    ALA  20           H        ALA  20   8.727   7.396   1.651
  178    HA   ALA  20           HA       ALA  20   6.816   7.327  -0.491
  179   1HB   ALA  20          1HB       ALA  20   6.467   9.534   0.002
  180   2HB   ALA  20          2HB       ALA  20   8.191   9.901   0.058
  181   3HB   ALA  20          3HB       ALA  20   7.406   9.137   1.441
  182    H    GLU  21           H        GLU  21  10.287   7.565  -0.479
  183    HA   GLU  21           HA       GLU  21  10.489   8.751  -3.149
  184   1HB   GLU  21          2HB       GLU  21  12.904   8.286  -2.918
  185   2HB   GLU  21          1HB       GLU  21  12.280   9.107  -1.489
  186   1HG   GLU  21          2HG       GLU  21  13.207   7.431  -0.286
  187   2HG   GLU  21          1HG       GLU  21  11.905   6.413  -0.899
  188    H    ASP  22           H        ASP  22  10.115   5.558  -1.819
  189    HA   ASP  22           HA       ASP  22  11.267   4.053  -3.975
  190   1HB   ASP  22          2HB       ASP  22   9.369   3.473  -1.737
  191   2HB   ASP  22          1HB       ASP  22   9.454   2.319  -3.067
  192    H    SER  23           H        SER  23  10.023   2.804  -5.601
  193    HA   SER  23           HA       SER  23   7.886   4.481  -6.773
  194   1HB   SER  23          2HB       SER  23   9.895   2.609  -7.786
  195   2HB   SER  23          1HB       SER  23   8.307   2.353  -8.500
  196    HG   SER  23           HG       SER  23   9.211   3.924  -9.716
  197    H    VAL  24           H        VAL  24   6.063   3.193  -7.895
  198    HA   VAL  24           HA       VAL  24   4.510   1.822  -5.928
  199    HB   VAL  24           HB       VAL  24   4.227   1.759  -8.952
  200   1HG1  VAL  24          1HG1      VAL  24   2.072   0.902  -8.660
  201   2HG1  VAL  24          2HG1      VAL  24   1.986   1.422  -6.977
  202   3HG1  VAL  24          3HG1      VAL  24   2.975   0.033  -7.422
  203   1HG2  VAL  24          1HG2      VAL  24   4.221   4.038  -7.814
  204   2HG2  VAL  24          2HG2      VAL  24   2.781   3.509  -6.945
  205   3HG2  VAL  24          3HG2      VAL  24   2.751   3.641  -8.703
  206    H    GLY  25           H        GLY  25   6.775   0.665  -8.383
  207   1HA   GLY  25          2HA       GLY  25   6.122  -2.105  -8.368
  208   2HA   GLY  25          1HA       GLY  25   7.731  -1.458  -8.700
  209    H    ASP  26           H        ASP  26   8.284  -0.206  -6.249
  210    HA   ASP  26           HA       ASP  26   9.147  -2.420  -4.618
  211   1HB   ASP  26          2HB       ASP  26   8.916   0.530  -3.915
  212   2HB   ASP  26          1HB       ASP  26   9.815  -0.672  -2.989
  213    H    PHE  27           H        PHE  27   6.398  -0.191  -4.476
  214    HA   PHE  27           HA       PHE  27   5.362  -0.869  -1.913
  215   1HB   PHE  27          2HB       PHE  27   4.610   0.976  -3.573
  216   2HB   PHE  27          1HB       PHE  27   3.638  -0.284  -4.329
  217    HD1  PHE  27           HD1      PHE  27   2.188  -1.739  -2.615
  218    HD2  PHE  27           HD2      PHE  27   3.647   2.232  -1.870
  219    HE1  PHE  27           HE1      PHE  27   0.426  -1.413  -0.903
  220    HE2  PHE  27           HE2      PHE  27   1.886   2.557  -0.159
  221    HZ   PHE  27           HZ       PHE  27   0.274   0.735   0.325
  222    H    LYS  28           H        LYS  28   4.639  -2.252  -5.136
  223    HA   LYS  28           HA       LYS  28   2.859  -4.296  -4.170
  224   1HB   LYS  28          2HB       LYS  28   4.506  -4.162  -6.716
  225   2HB   LYS  28          1HB       LYS  28   3.226  -5.334  -6.410
  226   1HG   LYS  28          2HG       LYS  28   1.540  -3.699  -6.455
  227   2HG   LYS  28          1HG       LYS  28   2.677  -2.385  -6.153
  228   1HD   LYS  28          2HD       LYS  28   3.590  -2.555  -8.374
  229   2HD   LYS  28          1HD       LYS  28   2.708  -4.051  -8.682
  230   1HE   LYS  28          2HE       LYS  28   0.612  -2.932  -8.757
  231   2HE   LYS  28          1HE       LYS  28   1.274  -1.475  -8.016
  232   1HZ   LYS  28          1HZ       LYS  28   1.790  -2.516 -10.742
  233   2HZ   LYS  28          2HZ       LYS  28   2.730  -1.293 -10.031
  234   3HZ   LYS  28          3HZ       LYS  28   1.073  -1.041 -10.311
  235    H    LYS  29           H        LYS  29   6.363  -4.106  -4.466
  236    HA   LYS  29           HA       LYS  29   6.898  -6.937  -4.280
  237   1HB   LYS  29          2HB       LYS  29   8.519  -4.441  -3.831
  238   2HB   LYS  29          1HB       LYS  29   9.177  -6.010  -3.372
  239   1HG   LYS  29          2HG       LYS  29   7.948  -5.832  -6.077
  240   2HG   LYS  29          1HG       LYS  29   9.474  -4.981  -5.848
  241   1HD   LYS  29          2HD       LYS  29   9.772  -7.503  -4.589
  242   2HD   LYS  29          1HD       LYS  29   9.027  -7.811  -6.158
  243   1HE   LYS  29          2HE       LYS  29  10.887  -6.018  -6.924
  244   2HE   LYS  29          1HE       LYS  29  11.717  -6.692  -5.522
  245   1HZ   LYS  29          1HZ       LYS  29  10.514  -8.393  -7.630
  246   2HZ   LYS  29          2HZ       LYS  29  11.625  -8.842  -6.429
  247   3HZ   LYS  29          3HZ       LYS  29  12.114  -7.843  -7.711
  248    H    VAL  30           H        VAL  30   6.822  -4.331  -1.814
  249    HA   VAL  30           HA       VAL  30   7.374  -6.149   0.384
  250    HB   VAL  30           HB       VAL  30   6.100  -3.395   0.503
  251   1HG1  VAL  30          1HG1      VAL  30   7.206  -5.326   2.499
  252   2HG1  VAL  30          2HG1      VAL  30   5.853  -4.207   2.652
  253   3HG1  VAL  30          3HG1      VAL  30   7.508  -3.609   2.768
  254   1HG2  VAL  30          1HG2      VAL  30   9.018  -4.239   0.576
  255   2HG2  VAL  30          2HG2      VAL  30   8.433  -2.617   0.950
  256   3HG2  VAL  30          3HG2      VAL  30   8.243  -3.268  -0.676
  257    H    LEU  31           H        LEU  31   4.435  -4.854  -1.115
  258    HA   LEU  31           HA       LEU  31   2.623  -5.852   0.905
  259   1HB   LEU  31          2HB       LEU  31   2.093  -4.021  -0.747
  260   2HB   LEU  31          1HB       LEU  31   2.011  -5.255  -2.004
  261    HG   LEU  31           HG       LEU  31   0.270  -6.440  -0.602
  262   1HD1  LEU  31          1HD1      LEU  31  -0.841  -5.116   1.160
  263   2HD1  LEU  31          2HD1      LEU  31   0.335  -3.822   0.934
  264   3HD1  LEU  31          3HD1      LEU  31   0.856  -5.388   1.557
  265   1HD2  LEU  31          1HD2      LEU  31  -0.220  -4.851  -2.526
  266   2HD2  LEU  31          2HD2      LEU  31  -0.494  -3.596  -1.318
  267   3HD2  LEU  31          3HD2      LEU  31  -1.526  -5.025  -1.354
  268    H    SER  32           H        SER  32   3.681  -7.098  -2.273
  269    HA   SER  32           HA       SER  32   2.066  -9.404  -2.424
  270   1HB   SER  32          2HB       SER  32   3.810 -10.336  -3.897
  271   2HB   SER  32          1HB       SER  32   3.495  -8.647  -4.277
  272    HG   SER  32           HG       SER  32   5.735  -9.102  -4.137
  273    H    LEU  33           H        LEU  33   4.917  -8.846  -0.424
  274    HA   LEU  33           HA       LEU  33   5.433 -11.625   0.176
  275   1HB   LEU  33          2HB       LEU  33   6.428  -9.014   1.037
  276   2HB   LEU  33          1HB       LEU  33   6.316 -10.155   2.376
  277    HG   LEU  33           HG       LEU  33   8.521 -10.279   1.256
  278   1HD1  LEU  33          1HD1      LEU  33   8.633 -12.645   1.151
  279   2HD1  LEU  33          2HD1      LEU  33   6.968 -12.781   0.587
  280   3HD1  LEU  33          3HD1      LEU  33   7.299 -12.312   2.254
  281   1HD2  LEU  33          1HD2      LEU  33   8.675 -11.116  -1.047
  282   2HD2  LEU  33          2HD2      LEU  33   7.733  -9.625  -1.009
  283   3HD2  LEU  33          3HD2      LEU  33   6.915 -11.181  -1.159
  284    H    GLN  34           H        GLN  34   3.345  -9.151   1.622
  285    HA   GLN  34           HA       GLN  34   2.636 -10.851   3.903
  286   1HB   GLN  34          2HB       GLN  34   1.622  -8.180   2.909
  287   2HB   GLN  34          1HB       GLN  34   0.946  -8.994   4.321
  288   1HG   GLN  34          2HG       GLN  34   2.940  -8.809   5.544
  289   2HG   GLN  34          1HG       GLN  34   3.918  -8.573   4.097
  290   1HE2  GLN  34          1HE2      GLN  34   3.221  -6.445   2.813
  291   2HE2  GLN  34          2HE2      GLN  34   2.935  -5.081   3.781
  292    H    ILE  35           H        ILE  35   0.841  -9.593   1.044
  293    HA   ILE  35           HA       ILE  35  -1.445 -11.316   1.622
  294    HB   ILE  35           HB       ILE  35  -2.203 -10.573  -0.712
  295   1HG1  ILE  35          2HG1      ILE  35   0.170  -8.708  -0.404
  296   2HG1  ILE  35          1HG1      ILE  35   0.086 -10.032  -1.562
  297   1HG2  ILE  35          1HG2      ILE  35  -3.226  -8.842   0.316
  298   2HG2  ILE  35          2HG2      ILE  35  -1.699  -8.072   0.744
  299   3HG2  ILE  35          3HG2      ILE  35  -2.346  -9.367   1.751
  300   1HD1  ILE  35          1HD1      ILE  35  -1.336  -8.896  -2.941
  301   2HD1  ILE  35          2HD1      ILE  35  -0.693  -7.478  -2.116
  302   3HD1  ILE  35          3HD1      ILE  35  -2.225  -8.180  -1.597
  303    H    GLY  36           H        GLY  36   1.500 -11.696  -0.206
  304   1HA   GLY  36          2HA       GLY  36   2.332 -13.592  -1.326
  305   2HA   GLY  36          1HA       GLY  36   0.954 -14.495  -0.693
  306    H    THR  37           H        THR  37   0.889 -11.567  -2.694
  307    HA   THR  37           HA       THR  37  -0.633 -13.104  -4.759
  308    HB   THR  37           HB       THR  37  -0.726 -10.107  -4.516
  309    HG1  THR  37           HG1      THR  37  -2.229 -11.959  -2.977
  310   1HG2  THR  37          1HG2      THR  37  -1.818 -11.652  -6.342
  311   2HG2  THR  37          2HG2      THR  37  -2.728 -10.300  -5.670
  312   3HG2  THR  37          3HG2      THR  37  -3.026 -11.938  -5.089
  313    H    GLN  38           H        GLN  38   2.397 -11.828  -4.233
  314    HA   GLN  38           HA       GLN  38   4.190 -11.358  -5.650
  315   1HB   GLN  38          2HB       GLN  38   2.224 -12.429  -7.690
  316   2HB   GLN  38          1HB       GLN  38   3.839 -11.883  -8.132
  317   1HG   GLN  38          2HG       GLN  38   4.896 -13.585  -6.915
  318   2HG   GLN  38          1HG       GLN  38   3.483 -13.858  -5.890
  319   1HE2  GLN  38          1HE2      GLN  38   1.948 -15.410  -6.591
  320   2HE2  GLN  38          2HE2      GLN  38   2.042 -16.225  -8.078
  321    HA   PRO  39           HA       PRO  39   3.500  -7.209  -6.903
  322   1HB   PRO  39          2HB       PRO  39   5.733  -6.837  -8.474
  323   2HB   PRO  39          1HB       PRO  39   5.761  -6.865  -6.702
  324   1HG   PRO  39          2HG       PRO  39   6.633  -8.974  -8.632
  325   2HG   PRO  39          1HG       PRO  39   7.226  -8.633  -6.998
  326   1HD   PRO  39          2HD       PRO  39   5.469 -10.715  -7.675
  327   2HD   PRO  39          1HD       PRO  39   5.725 -10.080  -6.036
  328    H    ASN  40           H        ASN  40   3.705  -9.734  -9.286
  329    HA   ASN  40           HA       ASN  40   2.998  -7.978 -11.541
  330   1HB   ASN  40          2HB       ASN  40   3.294 -10.983 -11.282
  331   2HB   ASN  40          1HB       ASN  40   2.860 -10.168 -12.786
  332   1HD2  ASN  40          1HD2      ASN  40   4.498  -8.680 -13.736
  333   2HD2  ASN  40          2HD2      ASN  40   6.137  -8.858 -13.334
  334    H    LYS  41           H        LYS  41   1.309  -9.760  -9.079
  335    HA   LYS  41           HA       LYS  41  -1.208  -9.600 -10.685
  336   1HB   LYS  41          2HB       LYS  41  -0.172 -11.789  -9.388
  337   2HB   LYS  41          1HB       LYS  41  -1.276 -11.143  -8.172
  338   1HG   LYS  41          2HG       LYS  41  -2.471 -11.112 -10.836
  339   2HG   LYS  41          1HG       LYS  41  -1.979 -12.739 -10.354
  340   1HD   LYS  41          2HD       LYS  41  -3.131 -12.140  -8.084
  341   2HD   LYS  41          1HD       LYS  41  -3.946 -10.891  -9.023
  342   1HE   LYS  41          2HE       LYS  41  -3.991 -13.387 -10.482
  343   2HE   LYS  41          1HE       LYS  41  -4.638 -13.637  -8.858
  344   1HZ   LYS  41          1HZ       LYS  41  -5.542 -11.218 -10.173
  345   2HZ   LYS  41          2HZ       LYS  41  -6.423 -12.372  -9.288
  346   3HZ   LYS  41          3HZ       LYS  41  -6.041 -12.656 -10.919
  347    H    ILE  42           H        ILE  42   0.304  -7.611  -8.690
  348    HA   ILE  42           HA       ILE  42  -2.098  -7.030  -7.001
  349    HB   ILE  42           HB       ILE  42   0.828  -6.341  -6.620
  350   1HG1  ILE  42          2HG1      ILE  42  -1.101  -7.743  -4.754
  351   2HG1  ILE  42          1HG1      ILE  42  -0.132  -8.618  -5.941
  352   1HG2  ILE  42          1HG2      ILE  42  -0.514  -5.499  -4.349
  353   2HG2  ILE  42          2HG2      ILE  42  -1.590  -4.982  -5.646
  354   3HG2  ILE  42          3HG2      ILE  42   0.088  -4.441  -5.624
  355   1HD1  ILE  42          1HD1      ILE  42   1.738  -8.430  -4.690
  356   2HD1  ILE  42          2HD1      ILE  42   0.687  -7.907  -3.377
  357   3HD1  ILE  42          3HD1      ILE  42   1.467  -6.712  -4.411
  358    H    VAL  43           H        VAL  43  -3.129  -5.088  -7.256
  359    HA   VAL  43           HA       VAL  43  -1.906  -3.064  -9.094
  360    HB   VAL  43           HB       VAL  43  -4.832  -3.868  -8.924
  361   1HG1  VAL  43          1HG1      VAL  43  -3.472  -1.512  -9.975
  362   2HG1  VAL  43          2HG1      VAL  43  -5.199  -1.812  -9.780
  363   3HG1  VAL  43          3HG1      VAL  43  -4.369  -2.362 -11.235
  364   1HG2  VAL  43          1HG2      VAL  43  -3.677  -5.584 -10.113
  365   2HG2  VAL  43          2HG2      VAL  43  -2.647  -4.417 -10.945
  366   3HG2  VAL  43          3HG2      VAL  43  -4.359  -4.534 -11.356
  367    H    LEU  44           H        LEU  44  -1.625  -1.156  -8.035
  368    HA   LEU  44           HA       LEU  44  -3.193  -0.659  -5.551
  369   1HB   LEU  44          2HB       LEU  44  -0.626   0.534  -6.629
  370   2HB   LEU  44          1HB       LEU  44  -1.450   1.157  -5.200
  371    HG   LEU  44           HG       LEU  44  -0.906  -1.782  -5.335
  372   1HD1  LEU  44          1HD1      LEU  44   1.188  -0.335  -5.993
  373   2HD1  LEU  44          2HD1      LEU  44   1.357  -1.609  -4.785
  374   3HD1  LEU  44          3HD1      LEU  44   1.208   0.074  -4.277
  375   1HD2  LEU  44          1HD2      LEU  44  -0.569   0.125  -3.018
  376   2HD2  LEU  44          2HD2      LEU  44  -0.927  -1.602  -2.976
  377   3HD2  LEU  44          3HD2      LEU  44  -2.165  -0.456  -3.492
  378    H    GLN  45           H        GLN  45  -4.497   1.167  -5.326
  379    HA   GLN  45           HA       GLN  45  -4.676   3.013  -7.669
  380   1HB   GLN  45          2HB       GLN  45  -7.160   2.193  -6.180
  381   2HB   GLN  45          1HB       GLN  45  -7.010   2.847  -7.809
  382   1HG   GLN  45          2HG       GLN  45  -5.651   0.606  -8.230
  383   2HG   GLN  45          1HG       GLN  45  -6.586   0.041  -6.847
  384   1HE2  GLN  45          1HE2      GLN  45  -6.681   0.165 -10.182
  385   2HE2  GLN  45          2HE2      GLN  45  -8.362   0.117 -10.412
  386    H    LYS  46           H        LYS  46  -4.590   5.120  -7.054
  387    HA   LYS  46           HA       LYS  46  -4.807   5.751  -4.159
  388   1HB   LYS  46          2HB       LYS  46  -3.251   6.777  -6.400
  389   2HB   LYS  46          1HB       LYS  46  -4.075   8.079  -5.542
  390   1HG   LYS  46          2HG       LYS  46  -2.648   5.962  -3.961
  391   2HG   LYS  46          1HG       LYS  46  -1.712   7.253  -4.714
  392   1HD   LYS  46          2HD       LYS  46  -3.683   8.730  -3.611
  393   2HD   LYS  46          1HD       LYS  46  -3.653   7.389  -2.467
  394   1HE   LYS  46          2HE       LYS  46  -1.010   7.805  -2.644
  395   2HE   LYS  46          1HE       LYS  46  -1.553   9.431  -3.050
  396   1HZ   LYS  46          1HZ       LYS  46  -1.604   8.068  -0.528
  397   2HZ   LYS  46          2HZ       LYS  46  -3.107   8.753  -0.926
  398   3HZ   LYS  46          3HZ       LYS  46  -1.716   9.727  -0.863
  399    H    GLY  47           H        GLY  47  -7.132   5.657  -4.037
  400   1HA   GLY  47          2HA       GLY  47  -9.197   6.793  -3.889
  401   2HA   GLY  47          1HA       GLY  47  -8.453   8.171  -4.703
  402    H    GLY  48           H        GLY  48  -8.321   8.134  -7.041
  403   1HA   GLY  48          2HA       GLY  48 -10.000   6.069  -8.391
  404   2HA   GLY  48          1HA       GLY  48 -10.334   7.779  -8.668
  405    H    SER  49           H        SER  49  -7.248   5.983  -8.420
  406    HA   SER  49           HA       SER  49  -6.668   6.481 -11.270
  407   1HB   SER  49          2HB       SER  49  -4.544   7.661 -10.767
  408   2HB   SER  49          1HB       SER  49  -5.940   8.577 -10.210
  409    HG   SER  49           HG       SER  49  -4.699   8.567  -8.456
  410    H    VAL  50           H        VAL  50  -5.225   4.956 -12.081
  411    HA   VAL  50           HA       VAL  50  -4.503   2.742 -10.278
  412    HB   VAL  50           HB       VAL  50  -3.997   3.084 -13.255
  413   1HG1  VAL  50          1HG1      VAL  50  -3.939   0.487 -13.009
  414   2HG1  VAL  50          2HG1      VAL  50  -3.632   0.815 -11.304
  415   3HG1  VAL  50          3HG1      VAL  50  -2.513   1.407 -12.532
  416   1HG2  VAL  50          1HG2      VAL  50  -6.424   3.073 -12.529
  417   2HG2  VAL  50          2HG2      VAL  50  -6.149   1.468 -11.853
  418   3HG2  VAL  50          3HG2      VAL  50  -5.976   1.735 -13.587
  419    H    LEU  51           H        LEU  51  -2.506   2.469  -9.399
  420    HA   LEU  51           HA       LEU  51  -0.395   4.436 -10.061
  421   1HB   LEU  51          2HB       LEU  51  -0.268   2.262  -7.957
  422   2HB   LEU  51          1HB       LEU  51   0.684   3.743  -8.038
  423    HG   LEU  51           HG       LEU  51  -2.308   3.567  -7.556
  424   1HD1  LEU  51          1HD1      LEU  51  -0.263   4.732  -5.686
  425   2HD1  LEU  51          2HD1      LEU  51  -0.543   2.992  -5.710
  426   3HD1  LEU  51          3HD1      LEU  51  -1.865   4.092  -5.323
  427   1HD2  LEU  51          1HD2      LEU  51  -0.950   5.637  -8.783
  428   2HD2  LEU  51          2HD2      LEU  51  -0.918   6.120  -7.088
  429   3HD2  LEU  51          3HD2      LEU  51  -2.459   5.810  -7.888
  430    H    LYS  52           H        LYS  52   1.395   3.926 -11.234
  431    HA   LYS  52           HA       LYS  52   1.731   1.072 -12.060
  432   1HB   LYS  52          2HB       LYS  52   1.829   3.616 -13.498
  433   2HB   LYS  52          1HB       LYS  52   3.259   2.624 -13.787
  434   1HG   LYS  52          2HG       LYS  52   0.754   1.090 -13.822
  435   2HG   LYS  52          1HG       LYS  52   0.838   2.324 -15.080
  436   1HD   LYS  52          2HD       LYS  52   2.486   1.241 -16.206
  437   2HD   LYS  52          1HD       LYS  52   3.333   0.799 -14.724
  438   1HE   LYS  52          2HE       LYS  52   1.293  -0.835 -14.390
  439   2HE   LYS  52          1HE       LYS  52   1.114  -0.645 -16.134
  440   1HZ   LYS  52          1HZ       LYS  52   2.536  -2.512 -15.620
  441   2HZ   LYS  52          2HZ       LYS  52   3.575  -1.516 -14.719
  442   3HZ   LYS  52          3HZ       LYS  52   3.432  -1.301 -16.398
  443    H    ASP  53           H        ASP  53   3.798   0.145 -11.993
  444    HA   ASP  53           HA       ASP  53   5.559   0.973  -9.906
  445   1HB   ASP  53          2HB       ASP  53   7.076  -0.769 -10.749
  446   2HB   ASP  53          1HB       ASP  53   5.416  -1.361 -10.728
  447    H    HIS  54           H        HIS  54   5.438   1.831 -13.298
  448    HA   HIS  54           HA       HIS  54   8.146   2.773 -13.568
  449   1HB   HIS  54          2HB       HIS  54   5.593   3.410 -15.065
  450   2HB   HIS  54          1HB       HIS  54   7.161   4.080 -15.517
  451    HD1  HIS  54           HD1      HIS  54   5.250   0.842 -15.375
  452    HD2  HIS  54           HD2      HIS  54   8.956   2.218 -16.695
  453    HE1  HIS  54           HE1      HIS  54   6.267  -1.034 -16.737
  454    H    ILE  55           H        ILE  55   5.449   4.079 -11.860
  455    HA   ILE  55           HA       ILE  55   6.681   6.801 -11.885
  456    HB   ILE  55           HB       ILE  55   3.893   5.918 -11.065
  457   1HG1  ILE  55          2HG1      ILE  55   3.541   7.679 -13.077
  458   2HG1  ILE  55          1HG1      ILE  55   5.113   7.034 -13.548
  459   1HG2  ILE  55          1HG2      ILE  55   4.433   7.796  -9.706
  460   2HG2  ILE  55          2HG2      ILE  55   3.543   8.469 -11.073
  461   3HG2  ILE  55          3HG2      ILE  55   5.301   8.594 -11.018
  462   1HD1  ILE  55          1HD1      ILE  55   2.871   5.853 -14.339
  463   2HD1  ILE  55          2HD1      ILE  55   2.970   5.104 -12.746
  464   3HD1  ILE  55          3HD1      ILE  55   4.287   4.898 -13.901
  465    H    SER  56           H        SER  56   7.274   7.763  -9.927
  466    HA   SER  56           HA       SER  56   7.877   5.940  -7.736
  467   1HB   SER  56          2HB       SER  56   9.115   8.153  -8.637
  468   2HB   SER  56          1HB       SER  56   8.152   8.876  -7.353
  469    HG   SER  56           HG       SER  56   9.945   8.194  -6.333
  470    H    LEU  57           H        LEU  57   7.110   6.168  -5.547
  471    HA   LEU  57           HA       LEU  57   4.297   6.620  -5.282
  472   1HB   LEU  57          2HB       LEU  57   6.513   6.386  -3.230
  473   2HB   LEU  57          1HB       LEU  57   4.814   6.545  -2.785
  474    HG   LEU  57           HG       LEU  57   5.738   4.415  -4.717
  475   1HD1  LEU  57          1HD1      LEU  57   5.311   3.124  -2.312
  476   2HD1  LEU  57          2HD1      LEU  57   6.169   4.582  -1.814
  477   3HD1  LEU  57          3HD1      LEU  57   6.893   3.493  -2.997
  478   1HD2  LEU  57          1HD2      LEU  57   3.320   4.835  -2.938
  479   2HD2  LEU  57          2HD2      LEU  57   3.656   3.310  -3.759
  480   3HD2  LEU  57          3HD2      LEU  57   3.358   4.772  -4.700
  481    H    GLU  58           H        GLU  58   7.115   8.679  -4.644
  482    HA   GLU  58           HA       GLU  58   5.801  10.807  -3.285
  483   1HB   GLU  58          2HB       GLU  58   8.344  10.408  -3.768
  484   2HB   GLU  58          1HB       GLU  58   8.027  11.307  -5.251
  485   1HG   GLU  58          2HG       GLU  58   8.722  12.933  -3.640
  486   2HG   GLU  58          1HG       GLU  58   6.973  13.109  -3.780
  487    H    ASP  59           H        ASP  59   6.021  10.021  -6.731
  488    HA   ASP  59           HA       ASP  59   5.016  12.506  -7.758
  489   1HB   ASP  59          2HB       ASP  59   5.469   9.776  -8.774
  490   2HB   ASP  59          1HB       ASP  59   4.120  10.607  -9.548
  491    H    TYR  60           H        TYR  60   3.384   9.472  -6.807
  492    HA   TYR  60           HA       TYR  60   0.718  10.469  -7.395
  493   1HB   TYR  60          2HB       TYR  60   1.737   8.113  -5.789
  494   2HB   TYR  60          1HB       TYR  60   0.020   8.458  -5.992
  495    HD1  TYR  60           HD1      TYR  60   2.646   6.568  -7.275
  496    HD2  TYR  60           HD2      TYR  60  -0.600   9.064  -8.583
  497    HE1  TYR  60           HE1      TYR  60   2.676   5.452  -9.488
  498    HE2  TYR  60           HE2      TYR  60  -0.566   7.945 -10.795
  499    HH   TYR  60           HH       TYR  60   1.102   6.683 -12.194
  500    H    GLU  61           H        GLU  61   2.923  10.913  -4.785
  501    HA   GLU  61           HA       GLU  61   2.758  12.256  -2.884
  502   1HB   GLU  61          2HB       GLU  61   0.802  13.311  -4.457
  503   2HB   GLU  61          1HB       GLU  61  -0.161  12.739  -3.096
  504   1HG   GLU  61          2HG       GLU  61   0.483  14.954  -2.510
  505   2HG   GLU  61          1HG       GLU  61   1.560  13.905  -1.589
  506    H    VAL  62           H        VAL  62   2.968   9.837  -2.209
  507    HA   VAL  62           HA       VAL  62   0.584   8.839  -0.754
  508    HB   VAL  62           HB       VAL  62   3.356   7.642  -1.109
  509   1HG1  VAL  62          1HG1      VAL  62   2.268   6.861   0.954
  510   2HG1  VAL  62          2HG1      VAL  62   2.299   5.572  -0.248
  511   3HG1  VAL  62          3HG1      VAL  62   0.808   6.466   0.047
  512   1HG2  VAL  62          1HG2      VAL  62   1.167   6.180  -2.308
  513   2HG2  VAL  62          2HG2      VAL  62   2.610   6.837  -3.080
  514   3HG2  VAL  62          3HG2      VAL  62   1.172   7.842  -2.902
  515    H    HIS  63           H        HIS  63   0.279   9.562   1.291
  516    HA   HIS  63           HA       HIS  63   2.602  10.607   2.824
  517   1HB   HIS  63          2HB       HIS  63  -0.392  10.867   3.163
  518   2HB   HIS  63          1HB       HIS  63   0.750  11.416   4.390
  519    HD1  HIS  63           HD1      HIS  63  -0.398  12.134   0.878
  520    HD2  HIS  63           HD2      HIS  63   2.211  13.746   3.698
  521    HE1  HIS  63           HE1      HIS  63   0.302  14.400  -0.008
  522    H    ASP  64           H        ASP  64   2.539  10.115   5.249
  523    HA   ASP  64           HA       ASP  64   2.615   7.247   5.630
  524   1HB   ASP  64          2HB       ASP  64   3.257   7.760   7.928
  525   2HB   ASP  64          1HB       ASP  64   4.122   8.835   6.832
  526    H    GLN  65           H        GLN  65   1.165   5.918   6.711
  527    HA   GLN  65           HA       GLN  65  -0.896   5.188   7.543
  528   1HB   GLN  65          2HB       GLN  65  -0.217   7.546   8.996
  529   2HB   GLN  65          1HB       GLN  65  -1.943   7.622   8.653
  530   1HG   GLN  65          2HG       GLN  65  -1.552   6.433  10.766
  531   2HG   GLN  65          1HG       GLN  65  -2.213   5.330   9.559
  532   1HE2  GLN  65          1HE2      GLN  65   1.095   6.500  10.483
  533   2HE2  GLN  65          2HE2      GLN  65   1.802   4.958  10.435
  534    H    THR  66           H        THR  66  -0.725   6.319   4.831
  535    HA   THR  66           HA       THR  66  -3.280   7.750   4.457
  536    HB   THR  66           HB       THR  66  -1.179   8.297   3.140
  537    HG1  THR  66           HG1      THR  66  -2.617   9.087   1.866
  538   1HG2  THR  66          1HG2      THR  66  -1.481   6.415   1.047
  539   2HG2  THR  66          2HG2      THR  66  -1.379   5.484   2.542
  540   3HG2  THR  66          3HG2      THR  66  -0.095   6.614   2.118
  541    H    ASN  67           H        ASN  67  -4.919   6.899   2.941
  542    HA   ASN  67           HA       ASN  67  -5.189   3.948   3.228
  543   1HB   ASN  67          2HB       ASN  67  -7.075   6.233   3.056
  544   2HB   ASN  67          1HB       ASN  67  -7.588   4.748   2.253
  545   1HD2  ASN  67          1HD2      ASN  67  -8.137   2.926   3.583
  546   2HD2  ASN  67          2HD2      ASN  67  -8.162   3.001   5.278
  547    H    LEU  68           H        LEU  68  -4.684   2.738   1.491
  548    HA   LEU  68           HA       LEU  68  -4.923   3.967  -1.228
  549   1HB   LEU  68          2HB       LEU  68  -2.824   2.372   0.067
  550   2HB   LEU  68          1HB       LEU  68  -3.294   1.746  -1.512
  551    HG   LEU  68           HG       LEU  68  -3.029   4.666  -1.477
  552   1HD1  LEU  68          1HD1      LEU  68  -0.610   4.736  -1.289
  553   2HD1  LEU  68          2HD1      LEU  68  -0.535   2.986  -1.078
  554   3HD1  LEU  68          3HD1      LEU  68  -1.256   3.995   0.176
  555   1HD2  LEU  68          1HD2      LEU  68  -1.361   3.799  -3.386
  556   2HD2  LEU  68          2HD2      LEU  68  -3.109   3.798  -3.617
  557   3HD2  LEU  68          3HD2      LEU  68  -2.279   2.311  -3.159
  558    H    GLU  69           H        GLU  69  -5.472   2.371  -2.969
  559    HA   GLU  69           HA       GLU  69  -7.474   0.405  -1.954
  560   1HB   GLU  69          2HB       GLU  69  -7.662   2.360  -3.924
  561   2HB   GLU  69          1HB       GLU  69  -7.440   0.871  -4.843
  562   1HG   GLU  69          2HG       GLU  69  -9.319   0.596  -2.594
  563   2HG   GLU  69          1HG       GLU  69  -9.846   1.749  -3.820
  564    H    LEU  70           H        LEU  70  -7.300  -1.763  -2.466
  565    HA   LEU  70           HA       LEU  70  -4.859  -2.582  -3.992
  566   1HB   LEU  70          2HB       LEU  70  -4.736  -3.216  -1.627
  567   2HB   LEU  70          1HB       LEU  70  -6.302  -4.017  -1.740
  568    HG   LEU  70           HG       LEU  70  -5.396  -5.622  -3.357
  569   1HD1  LEU  70          1HD1      LEU  70  -3.668  -4.895  -4.626
  570   2HD1  LEU  70          2HD1      LEU  70  -2.637  -5.312  -3.260
  571   3HD1  LEU  70          3HD1      LEU  70  -3.221  -3.660  -3.450
  572   1HD2  LEU  70          1HD2      LEU  70  -3.295  -5.586  -1.228
  573   2HD2  LEU  70          2HD2      LEU  70  -4.300  -6.922  -1.789
  574   3HD2  LEU  70          3HD2      LEU  70  -4.981  -5.695  -0.721
  575    H    TYR  71           H        TYR  71  -5.160  -3.846  -5.754
  576    HA   TYR  71           HA       TYR  71  -7.793  -5.202  -6.132
  577   1HB   TYR  71          2HB       TYR  71  -6.781  -2.957  -7.623
  578   2HB   TYR  71          1HB       TYR  71  -6.841  -4.366  -8.681
  579    HD1  TYR  71           HD1      TYR  71  -8.827  -2.110  -6.529
  580    HD2  TYR  71           HD2      TYR  71  -8.948  -5.422  -9.264
  581    HE1  TYR  71           HE1      TYR  71 -11.288  -1.868  -6.717
  582    HE2  TYR  71           HE2      TYR  71 -11.408  -5.179  -9.450
  583    HH   TYR  71           HH       TYR  71 -13.062  -2.799  -8.945
  584    H    TYR  72           H        TYR  72  -7.664  -7.116  -7.446
  585    HA   TYR  72           HA       TYR  72  -4.874  -8.150  -7.746
  586   1HB   TYR  72          2HB       TYR  72  -7.474  -9.666  -7.368
  587   2HB   TYR  72          1HB       TYR  72  -5.890 -10.409  -7.581
  588    HD1  TYR  72           HD1      TYR  72  -8.145  -9.942  -5.147
  589    HD2  TYR  72           HD2      TYR  72  -4.087  -8.815  -5.991
  590    HE1  TYR  72           HE1      TYR  72  -7.709  -9.692  -2.720
  591    HE2  TYR  72           HE2      TYR  72  -3.650  -8.565  -3.565
  592    HH   TYR  72           HH       TYR  72  -5.013  -9.788  -1.315
  593    H    LEU  73           HN       LEU  73  -4.182  -8.303  -9.803
  594    HA   LEU  73           HA       LEU  73  -6.108  -9.108 -11.916
  595   1HB   LEU  73          2HB       LEU  73  -5.418  -6.458 -11.597
  596   2HB   LEU  73          1HB       LEU  73  -4.239  -7.004 -12.790
  597    HG   LEU  73           HG       LEU  73  -6.734  -8.148 -13.523
  598   1HD1  LEU  73          1HD1      LEU  73  -6.947  -5.437 -12.351
  599   2HD1  LEU  73          2HD1      LEU  73  -8.196  -6.656 -12.616
  600   3HD1  LEU  73          3HD1      LEU  73  -7.679  -5.622 -13.945
  601   1HD2  LEU  73          1HD2      LEU  73  -4.693  -7.283 -14.878
  602   2HD2  LEU  73          2HD2      LEU  73  -5.480  -5.708 -14.791
  603   3HD2  LEU  73          3HD2      LEU  73  -6.296  -7.059 -15.581