*HEADER    HYDROLASE INHIBITOR                     22-SEP-99   1D2B              
*TITLE     THE MMP-INHIBITORY, N-TERMINAL DOMAIN OF HUMAN TISSUE                 
*TITLE    2 INHIBITOR OF METALLOPROTEINASES-1 (N-TIMP-1), SOLUTION NMR,          
*TITLE    3 29 STRUCTURES                                                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TISSUE INHIBITOR OF METALLOPROTEINASES-1;                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 CELLULAR_LOCATION: EXTRACELLULAR MATRIX;                             
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_PLASMID: PET3A                                     
*KEYWDS    OB-FOLD, BETA BARREL, PROTEASE INHIBITOR, MMP INHIBITOR               
*EXPDTA    NMR, 29 STRUCTURES                                                    
*AUTHOR    B.WU, S.ARUMUGAM, V.SEMENCHENKO, K.BREW, S.R.VAN DOREN                
*REVDAT   1   22-DEC-99 1D2B    0                                                
!! {  NOE Restraints }

!C1
assign (resid  1  and name HA    ) (resid    2  and name HG2#  )   4.0   2.2  1.0
assign (resid  1  and name HB1   ) (resid    2  and name HA  )   4.0   2.2  1.0
assign (resid  1  and name HB2   ) (resid    2  and name HA  )   4.0   2.2  1.0
assign (resid  1  and name HB#   ) (resid   70  and name HA  )   4.0   2.2  1.0
assign (resid  1  and name HB1   ) (resid   70  and name HN  )   4.0   2.2  1.0
assign (resid  1  and name HB2   ) (resid   70  and name HN  )   4.0   2.2  1.0
!T2
assign (resid  2  and name HA    ) (resid    3  and name HN  )   2.2   0.4  0.5
assign (resid  2  and name HB    ) (resid    3  and name HN  )   4.0   2.2  1.0
assign (resid    2  and name HG2#  ) (resid    3  and name HN  )   4.0   2.2  1.0
assign (resid    2  and name HA    ) (resid   70  and name HB#  )   4.0   2.2  1.0
assign (resid    2  and name HA    ) (resid   99  and name HB2  )   4.0   2.2  1.0
!C3
assign (resid  3  and name HA    ) (resid    4  and name HN  )   2.2   0.4  0.5
assign (resid  3  and name HB1   ) (resid    4  and name HN  )   4.0   2.2  1.0
assign (resid  3  and name HB2   ) (resid    4  and name HN  )   4.0   2.2  1.0
assign (resid  3  and name HB2   ) (resid    4  and name HA  )   4.0   2.2  1.0
assign (resid  3  and name HB1   ) (resid   99  and name HA    )   4.0   2.2  1.0
assign (resid  3  and name HB1   ) (resid   99  and name HB1   )   4.0   2.2  1.0
assign (resid  3  and name HB2   ) (resid   99  and name HB1   )   4.0   2.2  1.0
assign (resid  3  and name HN    ) (resid   99  and name HB1  )   4.0   2.2  1.0
assign (resid  3  and name HN    ) (resid   99  and name HB2  )   4.0   2.2  1.0
!V4
assign (resid    4  and name HA    ) (resid    5  and name HD1   )   2.2   0.4   0.5
assign (resid    4  and name HA    ) (resid    5  and name HD2   )   2.2   0.4   0.5
assign (resid    4  and name HB    ) (resid    5  and name HD1   )   3.0   1.2   1.0
assign (resid    4  and name HB    ) (resid    5  and name HD2   )   3.0   1.2   1.0
assign (resid    4  and name HG1#  ) (resid    5  and name HD1   )   4.0   2.2   1.0
assign (resid    4  and name HG1#  ) (resid    5  and name HD2   )   4.0   2.2   1.0
assign (resid    4  and name HG2#  ) (resid    5  and name HD1   )   3.0   1.2   1.0
assign (resid    4  and name HG2#  ) (resid    5  and name HD2   )   3.0   1.2   1.0
assign (resid    4  and name HG2#  ) (resid    5  and name HB1   )   4.0   2.2   1.0
assign (resid    4  and name HG2#  ) (resid    5  and name HB2   )   4.0   2.2   1.0
assign (resid    4  and name HG2#  ) (resid    5  and name HG#   )   4.0   2.2   1.0
!P5
assign (resid    5  and name HA    ) (resid    6  and name HD1   )   2.2   0.4   0.5
assign (resid    5  and name HA    ) (resid    6  and name HD2   )   2.2   0.4   0.5
assign (resid    5  and name HB1   ) (resid    6  and name HD1   )   4.0   2.2   1.0
assign (resid    5  and name HB1   ) (resid    6  and name HD2   )   4.0   2.2   1.0
assign (resid    5  and name HB2   ) (resid    6  and name HD1   )   4.0   2.2   1.0
assign (resid    5  and name HB2   ) (resid    6  and name HD2   )   4.0   2.2   1.0
assign (resid    5  and name HG#   ) (resid    6  and name HD1   )   4.0   2.2   1.0
assign (resid    5  and name HG#   ) (resid    6  and name HD2   )   4.0   2.2   1.0
!P6
assign (resid  6  and name HA    ) (resid    7  and name HN  )   3.0   1.2  1.0
assign (resid  6  and name HA    ) (resid    7  and name HB#  )   4.0   2.2  1.0
assign (resid  6  and name HB1   ) (resid    7  and name HN  )   3.0   1.2  1.0
assign (resid  6  and name HB2   ) (resid    7  and name HN  )   3.0   2.2  1.0
assign (resid  6  and name HB#   ) (resid    7  and name HA  )   4.0   2.2  1.0
assign (resid  6  and name HB#   ) (resid    7  and name HB#  )   4.0   2.2  1.0
assign (resid  6  and name HG#   ) (resid    7  and name HN  )   4.0   2.2  1.0
assign (resid  6  and name HD#   ) (resid    7  and name HN  )   4.0   2.2  1.0
assign (resid  6  and name HA    ) (resid    8  and name HD1  )   5.0   3.2  1.0
assign (resid  6  and name HA    ) (resid    8  and name HD2  )   5.0   3.2  1.0
assign (resid  6  and name HA    ) (resid   10  and name HG2#  )   4.0   2.2  1.0
assign (resid  6  and name HB#   ) (resid   10  and name HB  )   4.0   2.2  1.0
assign (resid  6  and name HB1   ) (resid   10  and name HG2#  )   4.0   2.2  1.0
assign (resid  6  and name HB2   ) (resid   10  and name HG2#  )   4.0   2.2  1.0
assign (resid  6  and name HB#   ) (resid   11  and name HA  )   4.0   2.2  1.0
assign (resid    6  and name HG#   ) (resid   11  and name HA    )   4.0   2.2   1.0
assign (resid  6  and name HG#   ) (resid   11  and name HB#  )   4.0   2.2  1.0
assign (resid  6  and name HD#   ) (resid   10  and name HG2#  )   5.0   3.2  1.0
assign (resid    6  and name HB#   ) (resid  101  and name HN    )   4.0   2.2   1.0
assign (resid    6  and name HG#   ) (resid  101  and name HA    )   4.0   2.2   1.0
assign (resid    6  and name HG#   ) (resid  101  and name HB#   )   4.0   2.2   1.0
assign (resid    6  and name HD#   ) (resid  101  and name HB#   )   4.0   2.2   1.0
assign (resid    6  and name HD#   ) (resid  101  and name HA    )   4.0   2.2   1.0
assign (resid    6  and name HD#   ) (resid   99  and name HA    )   4.0   2.2   1.0
assign (resid    6  and name HD#   ) (resid   99  and name HB#   )   4.0   2.2   1.0
!H7
assign (resid  7  and name HN    ) (resid    8  and name HD#  )   4.0   2.2  1.0
assign (resid  7  and name HA    ) (resid    8  and name HB#  )   4.0   2.2  1.0
assign (resid  7  and name HA    ) (resid    8  and name HG1  )   4.0   2.2  1.0
assign (resid  7  and name HA    ) (resid    8  and name HG2  )   4.0   2.2  1.0
assign (resid  7  and name HA    ) (resid    8  and name HD1  )   3.0   1.2  1.0
assign (resid  7  and name HA    ) (resid    8  and name HD2  )   3.0   1.2  1.0
assign (resid  7  and name HB#   ) (resid    8  and name HA  )   4.0   2.2  1.0
assign (resid  7  and name HB#   ) (resid    8  and name HD#  )   4.0   2.2  1.0
assign (resid  7  and name HN    ) (resid   10  and name HB  )   4.0   2.2  1.0
assign (resid  7  and name HN    ) (resid   10  and name HG2#  )   4.0   2.2  1.0
assign (resid  7  and name HN    ) (resid   11  and name HB#  )   4.0   2.2  1.0
assign (resid  7  and name HA    ) (resid   10  and name HN  )   5.0   3.2  1.0
assign (resid  7  and name HB#   ) (resid    9  and name HN  )   4.0   2.2  1.0
assign (resid  7  and name HB#   ) (resid   10  and name HN  )   4.0   2.2  1.0
assign (resid  7  and name HB#   ) (resid   10  and name HB  )   4.0   2.2  1.0
assign (resid  7  and name HB#   ) (resid   10  and name HG2#  )   4.0   2.2  1.0
assign (resid    7  and name HA    ) (resid  126  and name HN    )   5.0   3.2   1.0
assign (resid    7  and name HB#   ) (resid  126  and name HN    )   5.0   3.2   1.0
!P8
assign (resid  8  and name HA    ) (resid    9  and name HN  )   3.0   1.2  1.0
assign (resid  8  and name HB#   ) (resid    9  and name HN  )   3.0   1.2  1.0
assign (resid  8  and name HG#   ) (resid    9  and name HN  )   4.0   2.2  1.0
assign (resid  8  and name HD#   ) (resid    9  and name HN  )   4.0   2.2  1.0
assign (resid  8  and name HA    ) (resid   10  and name HA  )   5.0   3.2  1.0
assign (resid  8  and name HA    ) (resid   11  and name HN  )   4.0   2.2  1.0
assign (resid  8  and name HB#   ) (resid   11  and name HN  )   4.0   2.2  1.0
assign (resid  8  and name HB#   ) (resid   11  and name HA  )   5.0   3.2  1.0
assign (resid  8  and name HG#   ) (resid   10  and name HN  )   4.0   2.2  1.0
assign (resid  8  and name HG#   ) (resid   11  and name HN  )   4.0   2.2  1.0
assign (resid  8  and name HA    ) (resid  101  and name HD#  )   4.0   2.2  1.0
assign (resid  8  and name HA    ) (resid  116  and name HZ  )   4.0   2.2  1.0
assign (resid  8  and name HG#   ) (resid  116  and name HE# )   5.0   3.2  1.0
assign (resid    8  and name HA    ) (resid  126  and name HA    )   6.0   4.2   1.0
assign (resid  8  and name HB1   ) (resid  101  and name HB1  )   5.0   3.2  1.0
assign (resid  8  and name HB2   ) (resid  101  and name HB1  )   5.0   3.2  1.0
assign (resid  8  and name HB#   ) (resid  101  and name HB2  )   5.0   3.2  1.0
assign (resid  8  and name HB#   ) (resid  120  and name HD#  )   5.0   3.2  1.0
assign (resid  8  and name HB1   ) (resid  120  and name HE#  )   5.0   3.2  1.0
assign (resid  8  and name HB2   ) (resid  120  and name HE#  )   5.0   3.2  1.0
assign (resid    8  and name HB#   ) (resid  126  and name HN    )   5.0   3.2   1.0
assign (resid    8  and name HG#   ) (resid  126  and name HG#   )   5.0   3.2   1.0
assign (resid  8  and name HG1   ) (resid  101  and name HD#  )   4.0   2.2  1.0
assign (resid  8  and name HG2   ) (resid  101  and name HD#  )   4.0   2.2  1.0
assign (resid  8  and name HD#   ) (resid  101  and name HD#  )   4.0   2.2  1.0
assign (resid    8  and name HD#   ) (resid  125  and name HA    )   5.0   3.2   1.0
assign (resid    8  and name HD#   ) (resid  126  and name HA    )   5.0   3.2   1.0
assign (resid    8  and name HD#   ) (resid  126  and name HG#   )   5.0   3.2   1.0
!Q9 
assign (resid  9  and name HN    ) (resid   10  and name HN  )   2.5   0.7  0.5
assign (resid  9  and name HA    ) (resid   10  and name HN  )   4.0   2.2  1.0
assign (resid  9  and name HB1   ) (resid   10  and name HN  )   3.0   1.2  1.0
assign (resid  9  and name HB2   ) (resid   10  and name HN  )   3.0   1.2  1.0
assign (resid  9  and name HG#   ) (resid   10  and name HN  )   4.0   2.2  1.0
assign (resid  9  and name HN    ) (resid   11  and name HN  )   4.0   2.2  1.0
assign (resid  9  and name HA    ) (resid   12  and name HN  )   3.0   1.2  1.0
assign (resid  9  and name HA    ) (resid   12  and name HB1  )   3.0   1.2  1.0
assign (resid  9  and name HA    ) (resid   12  and name HB2  )   3.0   1.2  1.0
assign (resid  9  and name HA    ) (resid   13  and name HN  )   4.0   2.2  1.0
!T10
assign (resid 10  and name HN    ) (resid   11  and name HN  )   2.5   0.7  0.5
assign (resid 10  and name HA    ) (resid   11  and name HN  )   3.0   1.2  1.0
assign (resid 10  and name HB    ) (resid   11  and name HN  )   3.0   1.2  1.0
assign (resid 10  and name HG2#  ) (resid   11  and name HN  )   4.0   2.2  1.0
assign (resid 10  and name HA    ) (resid   12  and name HN  )   4.0   2.2  1.0
assign (resid 10  and name HA    ) (resid   13  and name HN  )   3.0   1.2  1.0
assign (resid 10  and name HA    ) (resid   13  and name HB2  )   3.0   1.2  1.0
assign (resid 10  and name HA    ) (resid   14  and name HN  )   4.0   2.2  1.0
assign (resid 10  and name HB    ) (resid   14  and name HB#  )   4.0   2.2  1.0
assign (resid 10  and name HG2#  ) (resid   14  and name HB1  )   4.0   2.2  1.0
assign (resid 10  and name HG2#  ) (resid   14  and name HB2  )   4.0   2.2  1.0
!A11
assign (resid 11  and name HN    ) (resid   12  and name HN  )   2.5   0.7  0.5
assign (resid 11  and name HA    ) (resid   12  and name HN  )   3.0   1.2  1.0
assign (resid 11  and name HA    ) (resid   12  and name HA  )   4.0   2.2  1.0
assign (resid 11  and name HB#   ) (resid   12  and name HN  )   3.0   1.2  1.0
assign (resid 11  and name HN    ) (resid   13  and name HN  )   4.0   2.2  1.0
assign (resid 11  and name HA    ) (resid   14  and name HN  )   3.0   1.2  1.0
assign (resid 11  and name HA    ) (resid   14  and name HB#  )   3.0   1.2  1.0
assign (resid 11  and name HA    ) (resid   15  and name HN  )   4.0   2.2  1.0
assign (resid 11  and name HA    ) (resid   15  and name HB2  )   4.0   2.2  1.0
assign (resid 11  and name HB#   ) (resid   15  and name HA  )   5.0   3.2  1.0
assign (resid   11  and name HN    ) (resid  101  and name HB2  )   5.0   3.2  1.0
assign (resid 11  and name HA    ) (resid  101  and name HA  )   5.0   3.2  1.0
assign (resid 11  and name HA    ) (resid  101  and name HB1  )   4.0   2.2  1.0
assign (resid 11  and name HA    ) (resid  101  and name HB2  )   4.0   2.2  1.0
assign (resid 11  and name HB#   ) (resid  101  and name HN  )   4.0   2.2  1.0
assign (resid 11  and name HB#   ) (resid  101  and name HA  )   4.0   2.2  1.0
assign (resid 11  and name HB#   ) (resid  101  and name HB1  )   4.0   2.2  1.0
assign (resid 11  and name HB#   ) (resid  101  and name HB2  )   4.0   2.2  1.0
assign (resid 11  and name HB#   ) (resid  101  and name HD#  )   4.0   2.2  1.0
!F12
assign (resid 12  and name HN    ) (resid   13  and name HN  )   2.5   0.7  0.5
assign (resid 12  and name HA    ) (resid   13  and name HN  )   3.0   1.2  1.0
assign (resid 12  and name HB1   ) (resid   13  and name HN  )   3.0   1.2  1.0
assign (resid 12  and name HB2   ) (resid   13  and name HN  )   3.0   1.2  1.0
assign (resid 12  and name HB#   ) (resid   13  and name HA  )   4.0   2.2  1.0
assign (resid 12  and name HB#   ) (resid   13  and name HB1  )   4.0   2.2  1.0
assign (resid 12  and name HB#   ) (resid   13  and name HB2  )   4.0   2.2  1.0
assign (resid 12  and name HD#   ) (resid   13  and name HN  )   4.0   2.2  1.0
assign (resid 12  and name HD#   ) (resid   13  and name HA  )   4.0   2.2  1.0
assign (resid 12  and name HE#   ) (resid   13  and name HN  )   5.0   3.2  1.0
assign (resid 12  and name HN    ) (resid   14  and name HN  )   4.0   2.2  1.0
assign (resid 12  and name HA    ) (resid   15  and name HN  )   3.0   1.2  1.0
assign (resid 12  and name HA    ) (resid   15  and name HB1  )   3.0   1.2  1.0
assign (resid 12  and name HA    ) (resid   15  and name HB2  )   3.0   1.2  1.0
assign (resid 12  and name HA    ) (resid   18  and name HG2#  )   4.0   2.2  1.0
assign (resid 12  and name HB#   ) (resid   14  and name HN  )   4.0   2.2  1.0
assign (resid 12  and name HB#   ) (resid   18  and name HG1#  )   4.0   2.2  1.0
assign (resid 12  and name HD#   ) (resid   18  and name HG1#  )   4.0   2.2  1.0
assign (resid 12  and name HD#   ) (resid   18  and name HG2#  )   4.0   2.2  1.0
assign (resid 12  and name HB#   ) (resid  120  and name HA  )   5.0   3.2  1.0
assign (resid 12  and name HD#   ) (resid  120  and name HB2  )   4.0   2.2  1.0
assign (resid 12  and name HD#   ) (resid  121  and name HN  )   4.0   2.2  1.0
assign (resid 12  and name HD#   ) (resid  116  and name HA   )   4.0   2.2  1.0
assign (resid 12  and name HD#   ) (resid  116  and name HB#   )   4.0   2.2  1.0
assign (resid 12  and name HE#   ) (resid  116  and name HA   )   4.0   2.2  1.0
assign (resid 12  and name HA    ) (resid  116  and name HE#  )   4.0   2.2  1.0
assign (resid 12  and name HA    ) (resid  120  and name HB1  )   5.0   3.2  1.0
assign (resid 12  and name HA    ) (resid  120  and name HB2  )   5.0   3.2  1.0
assign (resid 12  and name HD#   ) (resid  121  and name HA  )   4.0   2.2  1.0
assign (resid 12  and name HD#   ) (resid  121  and name HB  )   4.0   2.2  1.0
assign (resid 12  and name HD#   ) (resid  120  and name HD#   )   4.0   2.2  1.0
assign (resid 12  and name HE#   ) (resid   46  and name HB2  )   4.0   2.2  1.0
assign (resid 12  and name HE#   ) (resid  120  and name HN  )   5.0   3.2  1.0
assign (resid 12  and name HE#   ) (resid  120  and name HA  )   4.0   2.2  1.0
assign (resid 12  and name HE#   ) (resid  120  and name HB2  )   4.0   2.2  1.0
assign (resid 12  and name HE#   ) (resid  121  and name HA  )   4.0   2.2  1.0
assign (resid 12  and name HE#   ) (resid  121  and name HB  )   4.0   2.2  1.0
assign (resid 12  and name HE#   ) (resid  121  and name HG2#  )   4.0   2.2  1.0
!C13
assign (resid 13  and name HN    ) (resid   14  and name HN  )   2.5   0.7  0.5
assign (resid 13  and name HA    ) (resid   14  and name HN  )   3.0   1.2  1.0
assign (resid 13  and name HB1   ) (resid   14  and name HN  )   3.0   1.2  1.0
assign (resid 13  and name HB2   ) (resid   14  and name HN  )   3.0   1.2  1.0
assign (resid 13  and name HN    ) (resid   15  and name HN  )   4.0   2.2  1.0
assign (resid 13  and name HA    ) (resid   15  and name HN  )   4.0   2.2  1.0
assign (resid 13  and name HA    ) (resid  124  and name HB1  )   4.0   2.2  1.0
assign (resid 13  and name HB1   ) (resid  124  and name HB1  )   4.0   2.2  1.0
assign (resid 13  and name HB2   ) (resid  124  and name HB1  )   4.0   2.2  1.0
assign (resid 13  and name HB2   ) (resid  124  and name HB2  )   4.0   2.2  1.0
!N14 
assign (resid 14  and name HN    ) (resid   15  and name HN  )   2.5   0.7  0.5
assign (resid 14  and name HA    ) (resid   15  and name HN  )   3.0   1.2  1.0
assign (resid 14  and name HB1   ) (resid   15  and name HN  )   3.0   1.2  1.0
assign (resid 14  and name HB2   ) (resid   15  and name HN  )   3.0   1.2  1.0
!S15
assign (resid 15  and name HN    ) (resid   16  and name HN  )   3.0   1.2  1.0
assign (resid 15  and name HA    ) (resid   16  and name HN  )   3.0   1.2  1.0
assign (resid 15  and name HB1   ) (resid   16  and name HN  )   2.5   0.7  0.5
assign (resid 15  and name HB2   ) (resid   16  and name HN  )   3.0   1.2  1.0
assign (resid 15  and name HB1   ) (resid   16  and name HB2  )   5.0   3.2  1.0
assign (resid 15  and name HB2   ) (resid   16  and name HB2  )   5.0   3.2  1.0
assign (resid 15  and name HN    ) (resid   17  and name HN  )   4.0   2.2  1.0
assign (resid 15  and name HA    ) (resid   17  and name HN  )   4.0   2.2  1.0
assign (resid 15  and name HA    ) (resid   18  and name HG2#  )   4.0   2.2  1.0
assign (resid 15  and name HB1   ) (resid   17  and name HN  )   4.0   2.2  1.0
assign (resid 15  and name HB2   ) (resid   17  and name HN  )   4.0   2.2  1.0
assign (resid 15  and name HB1   ) (resid   18  and name HG2#  )   4.0   2.2  1.0
assign (resid 15  and name HB2   ) (resid   18  and name HG2#  )   4.0   2.2  1.0
assign (resid 15  and name HN    ) (resid   86  and name HB#  )   4.0   2.2  1.0
assign (resid 15  and name HB1   ) (resid   86  and name HB#  )   4.0   2.2  1.0
assign (resid 15  and name HB2   ) (resid   86  and name HB#  )   4.0   2.2  1.0
assign (resid 15  and name HB1   ) (resid   87  and name HN  )   4.0   2.2  1.0
assign (resid 15  and name HB2   ) (resid   87  and name HN  )   4.0   2.2  1.0
!D16
assign (resid 16  and name HN    ) (resid   17  and name HN  )   3.0   1.2  1.0
assign (resid 16  and name HA    ) (resid   17  and name HN  )   3.0   1.2  1.0
assign (resid 16  and name HA    ) (resid   17  and name HB#  )   4.0   2.2  1.0
assign (resid 16  and name HA    ) (resid   17  and name HG  )   4.0   2.2  1.0
assign (resid 16  and name HB1   ) (resid   17  and name HN  )   4.0   2.2  1.0
assign (resid 16  and name HB2   ) (resid   17  and name HN  )   4.0   2.2  1.0
assign (resid 16  and name HN    ) (resid   18  and name HG2#  )   4.0   2.2  1.0
assign (resid 16  and name HN    ) (resid   87  and name HN  )   5.0   3.2  1.0
assign (resid 16  and name HA    ) (resid   47  and name HB#  )   4.0   2.2  1.0
assign (resid 16  and name HA    ) (resid   47  and name HG#  )   4.0   2.2  1.0
assign (resid 16  and name HA    ) (resid   47  and name HE#  )   4.0   2.2  1.0
assign (resid 16  and name HA    ) (resid   88  and name HN  )   5.0   3.2  1.0
assign (resid 16  and name HA    ) (resid   88  and name HB1  )   5.0   3.2  1.0
assign (resid 16  and name HA    ) (resid   88  and name HB2  )   5.0   3.2  1.0
assign (resid 16  and name HA    ) (resid   88  and name HG#  )   4.0   2.2  1.0
assign (resid 16  and name HA    ) (resid   88  and name HD#  )   4.0   2.2  1.0
assign (resid 16  and name HA    ) (resid   89  and name HN  )   4.0   2.2  1.0
assign (resid 16  and name HB2   ) (resid   47  and name HE#  )   5.0   3.2  1.0
assign (resid 16  and name HB1   ) (resid   51  and name HB#  )   5.0   3.2  1.0
assign (resid 16  and name HB2   ) (resid   51  and name HB#  )   5.0   3.2  1.0
assign (resid 16  and name HB2   ) (resid   88  and name HN  )   4.0   2.2  1.0
assign (resid 16  and name HB1   ) (resid   88  and name HB#  )   4.0   2.2  1.0
assign (resid 16  and name HB2   ) (resid   88  and name HB#  )   4.0   2.2  1.0
assign (resid 16  and name HB1   ) (resid   89  and name HN  )   4.0   2.2  1.0
assign (resid 16  and name HB2   ) (resid   89  and name HN  )   4.0   2.2  1.0
!L17
assign (resid 17  and name HN    ) (resid   18  and name HN  )   4.0   2.2  1.0
assign (resid 17  and name HA    ) (resid   18  and name HN  )   2.5   0.7  0.2
assign (resid 17  and name HB#   ) (resid   18  and name HN  )   4.0   2.2  1.0
assign (resid 17  and name HG    ) (resid   18  and name HN  )   4.0   2.2  1.0
assign (resid 17  and name HD2#  ) (resid   18  and name HN  )   4.0   2.2  1.0
assign (resid 17  and name HN    ) (resid   87  and name HN  )   3.0   1.2  1.0
assign (resid 17  and name HN    ) (resid   87  and name HA#  )   4.0   2.2  1.0
assign (resid 17  and name HA    ) (resid   47  and name HN  )   4.0   2.2  1.0
assign (resid 17  and name HB#   ) (resid   48  and name HA#  )   4.0   2.2  1.0
assign (resid 17  and name HB#   ) (resid   87  and name HN  )   4.0   2.2  1.0
assign (resid 17  and name HB#   ) (resid   89  and name HD1#  )   4.0   2.2  1.0
assign (resid 17  and name HB#   ) (resid   89  and name HD2#  )   4.0   2.2  1.0
assign (resid 17  and name HG    ) (resid   47  and name HB#  )   5.0   3.2  1.0
assign (resid 17  and name HD1#  ) (resid   51  and name HB#  )   4.0   2.2  1.0
assign (resid 17  and name HD2#  ) (resid   47  and name HN  )   4.0   2.2  1.0
assign (resid 17  and name HD2#  ) (resid   48  and name HN  )   4.0   2.2  1.0
assign (resid 17  and name HD2#  ) (resid   48  and name HA1  )   4.0   2.2  1.0
assign (resid 17  and name HD2#  ) (resid   48  and name HA2  )   4.0   2.2  1.0
assign (resid 17  and name HD2#  ) (resid   51  and name HB#  )   4.0   2.2  1.0
!V18
assign (resid 18  and name HN    ) (resid   19  and name HN  )   4.0   2.2  1.0
assign (resid 18  and name HA    ) (resid   19  and name HN  )   2.5   0.7  0.2
assign (resid 18  and name HB    ) (resid   19  and name HN  )   4.0   2.2  1.0
assign (resid 18  and name HG1#  ) (resid   19  and name HN  )   4.0   2.2  1.0
assign (resid 18  and name HG2#  ) (resid   19  and name HN  )   4.0   2.2  1.0
assign (resid 18  and name HN    ) (resid   46  and name HN  )   3.0   1.2  1.0
assign (resid 18  and name HN    ) (resid   46  and name HB2  )   4.0   2.2  1.0
assign (resid 18  and name HN    ) (resid   47  and name HN  )   4.0   2.2  1.0
assign (resid 18  and name HN    ) (resid   47  and name HB#  )   4.0   2.2  1.0
assign (resid 18  and name HN    ) (resid   48  and name HA#  )   4.0   2.2  1.0
assign (resid 18  and name HN    ) (resid   87  and name HN  )   4.0   2.2  1.0
assign (resid 18  and name HA    ) (resid   86  and name HA  )   2.5   0.7  0.5
assign (resid 18  and name HA    ) (resid   86  and name HB#  )   4.0   2.2  1.0
assign (resid 18  and name HA    ) (resid   87  and name HN  )   3.0   1.2  1.0
assign (resid 18  and name HB    ) (resid   46  and name HA  )   4.0   2.2  1.0
assign (resid 18  and name HB    ) (resid   46  and name HB2  )   4.0   2.2  1.0
assign (resid 18  and name HB    ) (resid   47  and name HE#  )   5.0   3.2  1.0
assign (resid 18  and name HG1#  ) (resid   46  and name HN  )   4.0   2.2  1.0
assign (resid 18  and name HG1#  ) (resid   46  and name HB2  )   4.0   2.2  1.0
assign (resid 18  and name HG1#  ) (resid   46  and name HD#  )   4.0   2.2  1.0
assign (resid 18  and name HG1#  ) (resid   47  and name HN  )   4.0   2.2  1.0
assign (resid 18  and name HG1#  ) (resid   84  and name HD1#  )   3.0   1.2  1.0
assign (resid 18  and name HG1#  ) (resid   84  and name HD2#  )   3.0   1.2  1.0
assign (resid 18  and name HG2#  ) (resid   86  and name HA  )   4.0   2.2  1.0
assign (resid 18  and name HG1#  ) (resid   86  and name HB#  )   3.0   1.2  1.0
assign (resid 18  and name HG2#  ) (resid   86  and name HB#  )   3.0   1.2  1.0
assign (resid 18  and name HG2#  ) (resid   87  and name HN  )   4.0   2.2  1.0
!I19
assign (resid 19  and name HN    ) (resid   20  and name HN  )   4.0   2.2  1.0
assign (resid 19  and name HA    ) (resid   20  and name HN  )   2.5   0.7  0.2
assign (resid 19  and name HB    ) (resid   20  and name HN  )   4.0   2.2  1.0
assign (resid 19  and name HG1#  ) (resid   20  and name HN  )   4.0   2.2  1.0
assign (resid 19  and name HD1#  ) (resid   20  and name HN  )   4.0   2.2  1.0
assign (resid 19  and name HG2#  ) (resid   20  and name HN  )   4.0   2.2  1.0
assign (resid 19  and name HN    ) (resid   85  and name HB  )   4.0   2.2  1.0
assign (resid 19  and name HN    ) (resid   86  and name HA  )   3.0   1.2  1.0
assign (resid 19  and name HA    ) (resid   45  and name HA  )   3.0   1.2  0.5
assign (resid 19  and name HA    ) (resid   46  and name HN  )   3.0   1.2  1.0
assign (resid 19  and name HB    ) (resid   44  and name HN  )   4.0   2.2  1.0
assign (resid 19  and name HB    ) (resid   58  and name HG1#  )   5.0   3.2  1.0
assign (resid 19  and name HB    ) (resid   58  and name HD1#  )   5.0   3.2  1.0
assign (resid 19  and name HB    ) (resid   58  and name HG2#  )   5.0   3.2  1.0
assign (resid 19  and name HG1#  ) (resid   58  and name HG2#  )   4.0   2.2  1.0
assign (resid 19  and name HG1#  ) (resid   94  and name HD1#  )   5.0   3.2  1.0
assign (resid 19  and name HD1#  ) (resid   40  and name HD1#  )   4.0   2.2  1.0
assign (resid 19  and name HD1#  ) (resid   42  and name HG#  )   4.0   2.2  1.0
assign (resid 19  and name HD1#  ) (resid   58  and name HD1#  )   5.0   3.2  1.0
assign (resid 19  and name HD1#  ) (resid   58  and name HB  )   4.0   2.2  1.0
assign (resid 19  and name HD1#  ) (resid   58  and name HG2#  )   4.0   2.2  1.0
assign (resid 19  and name HD1#  ) (resid   94  and name HD2#  )   4.0   2.2  1.0
assign (resid 19  and name HG2#  ) (resid   42  and name HA  )   5.0   3.2  1.0
assign (resid 19  and name HG2#  ) (resid   42  and name HG#  )   4.0   2.2  1.0
assign (resid 19  and name HG2#  ) (resid   44  and name HN  )   4.0   2.2  1.0
assign (resid 19  and name HG2#  ) (resid   45  and name HA  )   4.0   2.2  1.0
assign (resid 19  and name HG2#  ) (resid   45  and name HB#  )   4.0   2.2  1.0
assign (resid 19  and name HG2#  ) (resid   46  and name HN  )   4.0   2.2  1.0
!R20
assign (resid 20  and name HA    ) (resid   21  and name HN  )   2.5   0.7  0.2
assign (resid 20  and name HA    ) (resid   21  and name HB#  )   4.0   2.2  1.0
assign (resid 20  and name HB1   ) (resid   21  and name HN  )   4.0   2.2  1.0
assign (resid 20  and name HB2   ) (resid   21  and name HN  )   3.0   1.2  1.0
assign (resid 20  and name HG#   ) (resid   21  and name HN  )   4.0   2.2  1.0
assign (resid 20  and name HN    ) (resid   43  and name HN  )   4.0   2.2  1.0
assign (resid 20  and name HN    ) (resid   44  and name HN  )   3.0   1.2  1.0
assign (resid 20  and name HN    ) (resid   45  and name HA  )   3.0   1.2  1.0
assign (resid 20  and name HN    ) (resid   46  and name HN  )   4.0   2.2  1.0
assign (resid 20  and name HN    ) (resid   46  and name HB1  )   5.0   3.2  1.0
assign (resid 20  and name HN    ) (resid   46  and name HE#  )   4.0   2.2  1.0
assign (resid 20  and name HN    ) (resid   85  and name HB  )   4.0   2.2  1.0
assign (resid 20  and name HA    ) (resid   83  and name HN  )   5.0   3.2  1.0
assign (resid 20  and name HA    ) (resid   84  and name HA  )   3.0   1.2  1.0
assign (resid 20  and name HA    ) (resid   84  and name HD2#  )   4.0   2.2  1.0
assign (resid 20  and name HA    ) (resid   85  and name HN  )   3.0   1.2  1.0
assign (resid 20  and name HB1   ) (resid   44  and name HN  )   4.0   2.2  1.0
assign (resid 20  and name HB2   ) (resid   44  and name HN  )   4.0   2.2  1.0
assign (resid 20  and name HB1   ) (resid   46  and name HE#  )   4.0   2.2  1.0
assign (resid 20  and name HB1   ) (resid   85  and name HN  )   5.0   3.2  1.0
assign (resid 20  and name HG#   ) (resid   44  and name HN  )   4.0   2.2  1.0
assign (resid 20  and name HG#   ) (resid   46  and name HE#  )   4.0   2.2  1.0
assign (resid 20  and name HG#   ) (resid   84  and name HA  )   4.0   2.2  1.0
assign (resid 20  and name HD#   ) (resid   46  and name HE#  )   4.0   2.2  1.0
!A21
assign (resid 21  and name HA    ) (resid   22  and name HN  )   2.5   0.7  0.2
assign (resid 21  and name HB#   ) (resid   22  and name HN  )   4.0   2.2  1.0
assign (resid 21  and name HB#   ) (resid   22  and name HB1  )   4.0   2.2  1.0
assign (resid 21  and name HN    ) (resid   43  and name HN  )   4.0   2.2  1.0
assign (resid 21  and name HN    ) (resid   83  and name HN  )   3.0   1.2  1.0
assign ((resid 21  and name HB# ) or (resid 108 and HD2#)) (resid  83 and name HN )  5.0  3.2  1.0
assign (resid 21  and name HN    ) (resid   84  and name HD2#  )   5.0   3.2  1.0
assign (resid 21  and name HN    ) (resid   85  and name HB  )   5.0   3.2  1.0
assign (resid 21  and name HN    ) (resid   85  and name HD1#  )   4.0   2.2  1.0
assign (resid 21  and name HA    ) (resid   40  and name HG2#  )   5.0   3.2  1.0
assign (resid 21  and name HA    ) (resid   43  and name HN  )   4.0   2.2  1.0
assign (resid 21  and name HA    ) (resid   43  and name HA  )   4.0   2.2  1.0
assign (resid 21  and name HA    ) (resid   44  and name HN  )   3.0   1.2  1.0
assign (resid 21  and name HB#   ) (resid   40  and name HD1#  )   4.0   2.2  1.0
assign (resid 21  and name HB#   ) (resid   85  and name HN  )   5.0   3.2  1.0
!K22
assign (resid 22  and name HA    ) (resid   23  and name HN  )   2.5   0.7  0.2
assign (resid 22  and name HB1   ) (resid   23  and name HN  )   4.0   2.2  1.0
assign (resid 22  and name HB2   ) (resid   23  and name HN  )   4.0   2.2  1.0
assign (resid 22  and name HB1   ) (resid   23  and name HA  )   4.0   2.2  1.0
assign (resid 22  and name HG#   ) (resid   23  and name HN  )   4.0   2.2  1.0
assign (resid 22  and name HB1   ) (resid   24  and name HG1#  )   4.0   2.2  1.0
assign (resid 22  and name HB2   ) (resid   24  and name HG1#  )   4.0   2.2  1.0
assign (resid 22  and name HB2   ) (resid   24  and name HG2#  )   4.0   2.2  1.0
assign (resid 22  and name HN    ) (resid   43  and name HA  )   4.0   2.2  1.0
assign (resid 22  and name HB1   ) (resid   40  and name HA  )   5.0   3.2  1.0
assign (resid 22  and name HB1   ) (resid   41  and name HA  )   4.0   2.2  1.0
assign (resid 22  and name HB1   ) (resid   41  and name HB#  )   4.0   2.2  1.0
assign (resid 22  and name HB2   ) (resid   81  and name HN  )   5.0   3.2  1.0
assign (resid 22  and name HB2   ) (resid   82  and name HN  )   5.0   3.2  1.0
assign (resid 22  and name HB2   ) (resid   82  and name HA  )   4.0   2.2  1.0
assign (resid 22  and name HB2   ) (resid   82  and name HB#  )   5.0   3.2  1.0
assign (resid 22  and name HB2   ) (resid   82  and name HG#  )   5.0   3.2  1.0
assign (resid 22  and name HG#   ) (resid   80  and name HA  )   4.0   2.2  1.0
assign (resid 22  and name HG#   ) (resid   81  and name HN  )   4.0   2.2  1.0
assign (resid 22  and name HG#   ) (resid   82  and name HN  )   4.0   2.2  1.0
assign (resid 22  and name HG#   ) (resid   82  and name HG1  )   4.0   2.2  1.0
assign (resid 22  and name HG#   ) (resid   82  and name HG2  )   4.0   2.2  1.0
assign (resid 22  and name HD#   ) (resid   80  and name HA  )   4.0   2.2  1.0
assign (resid 22  and name HD1   ) (resid   80  and name HB#  )   4.0   2.2  1.0
assign (resid 22  and name HD2   ) (resid   80  and name HB#  )   4.0   2.2  1.0
assign (resid 22  and name HD#   ) (resid   81  and name HN  )   4.0   2.2  1.0
assign (resid 22  and name HD#   ) (resid   82  and name HG#  )   4.0   2.2  1.0
assign (resid 22  and name HD#   ) (resid   82  and name HA   )   4.0   2.2  1.0
assign (resid 22  and name HD#   ) (resid   82  and name HN   )   4.0   2.2  1.0
assign (resid 22  and name HE#   ) (resid   80  and name HB#  )   4.0   2.2  1.0
assign (resid 22  and name HE1   ) (resid   82  and name HA   )   4.0   2.2  1.0
assign (resid 22  and name HE2   ) (resid   82  and name HA   )   4.0   2.2  1.0
assign (resid 22  and name HE#   ) (resid   82  and name HG1  )   4.0   2.2  1.0
assign (resid 22  and name HE#   ) (resid   82  and name HG2  )   4.0   2.2  1.0
assign (resid 22  and name HE#   ) (resid   43  and name HG2#  )   4.0   2.2  1.0
assign (resid 22  and name HE#   ) (resid   81  and name HN  )   4.0   2.2  1.0
assign (resid 22  and name HE#   ) (resid   82  and name HN  )   5.0   3.2  1.0
!F23
assign (resid 23  and name HA    ) (resid   24  and name HN  )   2.5   0.7  0.2
assign (resid 23  and name HA    ) (resid   24  and name HB  )   4.0   2.2  1.0
assign (resid 23  and name HA    ) (resid   24  and name HG2#  )   4.0   2.2  1.0
assign (resid 23  and name HB#   ) (resid   24  and name HN  )   4.0   2.2  1.0
assign (resid 23  and name HD#   ) (resid   24  and name HN  )   4.0   2.2  1.0
assign (resid 23  and name HA    ) (resid   40  and name HN  )   4.0   2.2  1.0
assign (resid 23  and name HA    ) (resid   40  and name HG2#  )   4.0   2.2  1.0
assign (resid 23  and name HA    ) (resid   41  and name HN  )   4.0   2.2  1.0
assign (resid 23  and name HB#   ) (resid   38  and name HD#  )   4.0   2.2  1.0
assign (resid 23  and name HA    ) (resid   38  and name HB#  )   4.0   2.2  1.0
assign (resid 23  and name HB#   ) (resid   83  and name HD#  )   4.0   2.2  1.0
assign (resid 23  and name HD#   ) (resid   83  and name HD#  )   4.0   2.2  1.0
assign (resid 23  and name HD#   ) (resid   38  and name HD#  )   4.0   2.2  1.0
assign (resid 23  and name HD#   ) (resid   85  and name HG1#  )   5.0   3.2  1.0
assign (resid 23  and name HE#   ) (resid   61  and name HG1#  )   4.0   2.2  1.0
assign (resid 23  and name HE#   ) (resid   61  and name HB    )   5.0   3.2  1.0
assign (resid 23  and name HZ    ) (resid   61  and name HG2#  )   5.0   3.2  1.0
assign (resid 23  and name HE#   ) (resid   72  and name HE#  )   4.0   2.2  1.0
assign (resid 23  and name HE#   ) (resid   85  and name HD1#  )   4.0   2.2  1.0
assign (resid 23  and name HZ    ) (resid   74  and name HB#   )   4.0   2.2  1.0
assign (resid 23  and name HZ    ) (resid   85  and name HD1#  )   4.0   2.2  1.0
!V24
assign (resid 24  and name HN    ) (resid   25  and name HN  )   3.0   1.2  1.0
assign (resid 24  and name HA    ) (resid   25  and name HN  )   3.0   1.2  1.0
assign (resid 24  and name HB    ) (resid   25  and name HN  )   4.0   2.2  1.0
assign (resid 24  and name HG1#  ) (resid   25  and name HN  )   4.0   2.2  1.0
assign (resid 24  and name HG2#  ) (resid   25  and name HN  )   4.0   2.2  1.0
assign (resid 24  and name HN    ) (resid   40  and name HA  )   4.0   2.2  1.0
assign (resid 24  and name HN    ) (resid   40  and name HB  )   4.0   2.2  1.0
assign (resid 24  and name HN    ) (resid   40  and name HG2#  )   4.0   2.2  1.0
assign (resid 24  and name HN    ) (resid   40  and name HG1#  )   5.0   3.2  1.0
assign (resid 24  and name HN    ) (resid   41  and name HN  )   4.0   2.2  1.0
assign (resid 24  and name HB    ) (resid   41  and name HN  )   4.0   2.2  1.0
assign (resid 24  and name HB    ) (resid   41  and name HA  )   4.0   2.2  1.0
assign (resid 24  and name HG1#  ) (resid   41  and name HA  )   5.0   3.2  1.0
assign (resid 24  and name HG2#  ) (resid   39  and name HB1  )   4.0   2.2  1.0
assign (resid 24  and name HG2#  ) (resid   39  and name HB2  )   4.0   2.2  1.0
assign (resid 24  and name HG2#  ) (resid   40  and name HN  )   4.0   2.2  1.0
assign (resid 24  and name HG2#  ) (resid   40  and name HA  )   4.0   2.2  1.0
assign (resid 24  and name HG2#  ) (resid   40  and name HG2#  )   4.0   2.2  1.0
assign (resid 24  and name HG2#  ) (resid   41  and name HN  )   4.0   2.2  1.0
assign (resid 24  and name HG2#  ) (resid   41  and name HG#  )   4.0   2.2  1.0
assign (resid 24  and name HG2#  ) (resid   41  and name HB1  )   4.0   2.2  1.0
assign (resid 24  and name HG2#  ) (resid   41  and name HB2  )   4.0   2.2  1.0
!G25
assign (resid 25  and name HN    ) (resid   26  and name HN  )   4.0   2.2  1.0
assign (resid 25  and name HA1   ) (resid   26  and name HN  )   2.5   0.7  0.2
assign (resid 25  and name HA2   ) (resid   26  and name HN  )   2.5   0.7  0.2
assign (resid 25  and name HN    ) (resid   38  and name HB#  )   5.0   3.2  1.0
assign (resid 25  and name HN    ) (resid   39  and name HN  )   3.0   1.2  1.0
assign (resid 25  and name HN    ) (resid   39  and name HB1  )   4.0   2.2  1.0
assign (resid 25  and name HN    ) (resid   39  and name HB2  )   4.0   2.2  1.0
assign (resid 25  and name HN    ) (resid   40  and name HA  )   3.0   1.2  1.0
assign (resid 25  and name HN    ) (resid   40  and name HG2#  )   5.0   3.2  1.0
assign (resid 25  and name HA1   ) (resid   39  and name HN  )   4.0   2.2  1.0
assign (resid 25  and name HA2   ) (resid   39  and name HN  )   4.0   2.2  1.0
!T26
assign (resid 26  and name HN    ) (resid   27  and name HD#  )   4.0   2.2  1.0
assign (resid 26  and name HA    ) (resid   27  and name HD1  )   2.5   0.7  0.2
assign (resid 26  and name HA    ) (resid   27  and name HD2  )   2.5   0.7  0.2
assign (resid 26  and name HB    ) (resid   27  and name HD1  )   4.0   2.2  1.0
assign (resid 26  and name HB    ) (resid   27  and name HD2  )   4.0   2.2  1.0
assign (resid 26  and name HG2#  ) (resid   27  and name HB#  )   4.0   2.2  1.0
assign (resid 26  and name HG2#  ) (resid   27  and name HD1  )   4.0   2.2  1.0
assign (resid 26  and name HG2#  ) (resid   27  and name HD2  )   4.0   2.2  1.0
assign (resid 26  and name HA    ) (resid   38  and name HE#  )   4.0   2.2  1.0
assign (resid 26  and name HA    ) (resid   39  and name HN  )   5.0   3.2  1.0
!P27
assign (resid 27  and name HA    ) (resid   28  and name HN  )   2.5   0.7  0.2
assign (resid 27  and name HA    ) (resid   28  and name HB#  )   4.0   2.2  1.0
assign (resid 27  and name HA    ) (resid   28  and name HG#  )   4.0   2.2  1.0
assign (resid 27  and name HB1   ) (resid   28  and name HN  )   4.0   2.2  1.0
assign (resid 27  and name HB2   ) (resid   28  and name HN  )   4.0   2.2  1.0
assign (resid 27  and name HA    ) (resid   37  and name HN  )   4.0   2.2  1.0
assign (resid 27  and name HB#   ) (resid   36  and name HB#  )   4.0   2.2  1.0
assign (resid 27  and name HB#   ) (resid   36  and name HG#  )   4.0   2.2  1.0
assign (resid 27  and name HG1   ) (resid   38  and name HE#  )   4.0   2.2  1.0
assign (resid 27  and name HG2   ) (resid   38  and name HE#  )   4.0   2.2  1.0
!E28
assign (resid 28  and name HN    ) (resid   29  and name HN  )   4.0   2.2  1.0
assign (resid 28  and name HA    ) (resid   29  and name HN  )   2.5   0.7  0.2
assign (resid 28  and name HA    ) (resid   29  and name HB  )   4.0   2.2  1.0
assign (resid 28  and name HA    ) (resid   29  and name HG2#  )   4.0   2.2  1.0
assign (resid 28  and name HB1   ) (resid   29  and name HN  )   4.0   2.2  1.0
assign (resid 28  and name HB2   ) (resid   29  and name HN  )   4.0   2.2  1.0
assign (resid 28  and name HB#   ) (resid   29  and name HA  )   4.0   2.2  1.0
assign (resid 28  and name HB#   ) (resid   29  and name HG2#  )   5.0   3.2  1.0
assign (resid 28  and name HB#   ) (resid   37  and name HN  )   4.0   2.2  1.0
assign (resid 28  and name HG#   ) (resid   29  and name HN  )   4.0   2.2   1.0
assign (resid 28  and name HG#   ) (resid   29  and name HB  )   5.0   3.2  1.0
assign (resid 28  and name HG#   ) (resid   29  and name HG2#  )   5.0   3.2  1.0
assign (resid 28  and name HG#   ) (resid   29  and name HG2#  )   5.0   3.2  1.0
assign (resid 28  and name HB#   ) (resid   30  and name HN  )   4.0   2.2  1.0
assign (resid 28  and name HN    ) (resid   36  and name HB#  )   4.0   2.2  1.0
assign (resid 28  and name HN    ) (resid   36  and name HG#  )   4.0   2.2  1.0
assign (resid 28  and name HN    ) (resid   37  and name HN  )   4.0   2.2  1.0
assign (resid 28  and name HN    ) (resid   37  and name HA  )   4.0   2.2  1.0
assign (resid 28  and name HN    ) (resid   37  and name HB#  )   4.0   2.2  1.0
assign (resid 28  and name HN    ) (resid   37  and name HG#  )   4.0   2.2  1.0
assign (resid 28  and name HN    ) (resid   38  and name HN  )   5.0   3.2  1.0
assign (resid 28  and name HA    ) (resid   36  and name HB#  )   4.0   2.2  1.0
assign (resid 28  and name HA    ) (resid   37  and name HN  )   4.0   2.2  1.0
assign (resid 28  and name HB#   ) (resid   37  and name HB#  )   5.0   3.2  1.0
assign (resid 28  and name HB#   ) (resid   37  and name HG#  )   4.0   2.2  1.0
!V29
assign (resid 29  and name HN    ) (resid   30  and name HN  )   4.0   2.2  1.0
assign (resid   29  and name HA    ) (resid   30  and name HN    )   2.5   0.7   0.2
assign (resid 29  and name HB    ) (resid   30  and name HN  )   4.0   2.2  1.0
assign (resid 29  and name HG1#  ) (resid   30  and name HN  )   4.0   2.2  1.0
assign (resid 29  and name HG2#  ) (resid   30  and name HN  )   4.0   2.2  1.0
assign (resid 29  and name HB    ) (resid   33  and name HG2#  )   4.0   2.2  1.0
assign (resid 29  and name HG1#  ) (resid   31  and name HN  )   4.0   2.2  1.0
assign (resid 29  and name HG1#  ) (resid   31  and name HA  )   5.0   3.2  1.0
assign (resid 29  and name HG1#  ) (resid   31  and name HE2#  )   4.0   2.2  1.0
assign (resid 29  and name HG1#  ) (resid   65  and name HA  )   5.0   3.2  1.0
assign (resid 29  and name HG2#  ) (resid   31  and name HE2#  )   4.0   2.2  1.0
assign (resid 29  and name HG2#  ) (resid   33  and name HG2#  )   4.0   2.2  1.0
assign (resid 29  and name HN    ) (resid   36  and name HB#  )   4.0   2.2  1.0
assign (resid 29  and name HN    ) (resid   36  and name HG#  )   4.0   2.2  1.0
assign (resid   29  and name HA    ) (resid   36  and name HA    )   4.0   2.2   1.0
assign (resid 29  and name HA    ) (resid   36  and name HB1  )   5.0   3.2  1.0
assign (resid 29  and name HA    ) (resid   36  and name HB2  )   5.0   3.2  1.0
assign (resid   29  and name HA    ) (resid   36  and name HG#   )   4.0   2.2   1.0
assign (resid 29  and name HA    ) (resid   37  and name HN  )   4.0   2.2  1.0
assign (resid 29  and name HG1#  ) (resid   35  and name HN  )   5.0   3.2  1.0
assign (resid 29  and name HG1#  ) (resid   36  and name HA  )   5.0   3.2  1.0
assign (resid 29  and name HG1#  ) (resid   36  and name HG#  )   5.0   3.2  1.0
assign (resid 29  and name HG1#  ) (resid   65  and name HB#  )   4.0   2.2  1.0
assign (resid 29  and name HG2#  ) (resid   36  and name HG#  )   4.0   2.2  1.0
assign (resid 29  and name HG2#  ) (resid   36  and name HA  )   4.0   2.2  1.0                                                                                            
!N30
assign (resid 30  and name HA    ) (resid   31  and name HN  )   2.5   0.7  0.5
assign (resid 30  and name HB1   ) (resid   31  and name HN  )   4.0   2.2  1.0
assign (resid 30  and name HB2   ) (resid   31  and name HN  )   4.0   2.2  1.0
assign (resid 30  and name HB#   ) (resid   31  and name HB2  )   4.0   2.2  1.0
assign (resid 30  and name HB#   ) (resid   31  and name HG#  )   4.0   2.2  1.0
assign (resid 30  and name HN    ) (resid   33  and name HG2#  )   4.0   2.2  1.0
assign (resid 30  and name HB#   ) (resid   32  and name HN  )   4.0   2.2  1.0
assign (resid 30  and name HB#   ) (resid   33  and name HN  )   4.0   2.2  1.0
assign (resid 30  and name HB1   ) (resid   33  and name HA  )   4.0   2.2  1.0
assign (resid 30  and name HB2   ) (resid   33  and name HA  )   4.0   2.2  1.0
assign (resid 30  and name HB#   ) (resid   33  and name HB  )   4.0   2.2  1.0
assign (resid 30  and name HD2#  ) (resid   33  and name HN  )   4.0   2.2  1.0
assign (resid 30  and name HD2#  ) (resid   33  and name HG2#  )   4.0   2.2  1.0
assign (resid 30  and name HD2#  ) (resid   34  and name HN  )   4.0   2.2  1.0
assign (resid 30  and name HN    ) (resid   35  and name HN  )   5.0   3.2  1.0
assign (resid 30  and name HN    ) (resid   36  and name HA  )   4.0   2.2  1.0
assign (resid 30  and name HN    ) (resid   36  and name HB#  )   4.0   2.2  1.0
assign (resid 30  and name HN    ) (resid   36  and name HG#  )   4.0   2.2  1.0
assign (resid 30  and name HB1   ) (resid   35  and name HN  )   4.0   2.2  1.0
assign (resid 30  and name HB2   ) (resid   35  and name HN  )   5.0   3.2  1.0
assign (resid 30  and name HB#   ) (resid   36  and name HB#  )   5.0   3.2  1.0
!Q31
assign (resid 31  and name HN    ) (resid   32  and name HN  )   3.0   1.2  1.0
assign (resid 31  and name HA    ) (resid   32  and name HN  )   3.0   1.2  1.0
assign (resid 31  and name HA    ) (resid   32  and name HG2#  )   5.0   3.2  1.0
assign (resid 31  and name HB1   ) (resid   32  and name HN  )   4.0   2.2  1.0
assign (resid 31  and name HB2   ) (resid   32  and name HN  )   4.0   2.2  1.0
assign (resid 31  and name HB1   ) (resid   32  and name HA  )   4.0   2.2  1.0
assign (resid 31  and name HG#   ) (resid   32  and name HN  )   4.0   2.2  1.0
assign (resid 31  and name HG#   ) (resid   32  and name HB  )   4.0   2.2  1.0
assign (resid 31  and name HG#   ) (resid   32  and name HG2#  )   5.0   3.2  1.0
assign (resid 31  and name HE2#  ) (resid   32  and name HN  )   4.0   2.2  1.0
assign (resid 31  and name HN    ) (resid   33  and name HN  )   5.0   3.2  1.0
assign (resid 31  and name HN    ) (resid   34  and name HN  )   5.0   3.2  1.0
assign (resid 31  and name HA    ) (resid   33  and name HN  )   4.0   2.2  1.0
assign (resid 31  and name HA    ) (resid   33  and name HG2#  )   5.0   3.2  1.0
assign (resid 31  and name HA    ) (resid   34  and name HN  )   4.0   2.2  1.0
assign (resid 31  and name HG#   ) (resid   33  and name HG2#  )   5.0   3.2  1.0
!T32
assign (resid 32  and name HN    ) (resid   33  and name HN  )   2.5   0.7  0.5
assign (resid 32  and name HA    ) (resid   33  and name HN  )   4.0   2.2  1.0
assign (resid 32  and name HA    ) (resid   33  and name HG2#  )   4.0   2.2  1.0
assign (resid 32  and name HB    ) (resid   33  and name HN  )   4.0   2.2  1.0
assign (resid 32  and name HB    ) (resid   33  and name HG2#  )   4.0   2.2  1.0
assign (resid 32  and name HG2#  ) (resid   33  and name HA  )   4.0   2.2  1.0
assign (resid 32  and name HG2#  ) (resid   33  and name HB  )   4.0   2.2  1.0
assign (resid 32  and name HN    ) (resid   34  and name HN  )   4.0   2.2  1.0
assign (resid 32  and name HN    ) (resid   35  and name HN  )   5.0   3.2  1.0
!T33
assign (resid 33  and name HN    ) (resid   34  and name HN  )   2.5   0.7  0.5
assign (resid 33  and name HA    ) (resid   34  and name HN  )   3.0   1.2  1.0
assign (resid 33  and name HB    ) (resid   34  and name HN  )   4.0   2.2  1.0
assign (resid 33  and name HB    ) (resid   34  and name HB1  )   5.0   3.2  1.0
assign (resid 33  and name HG2#  ) (resid   34  and name HN  )   4.0   2.2  1.0
assign (resid 33  and name HG2#  ) (resid   34  and name HB2  )   5.0   3.2  1.0
assign (resid 33  and name HG2#  ) (resid   34  and name HD2#  )   4.0   2.2  1.0
assign (resid 33  and name HN    ) (resid   35  and name HN  )   4.0   2.2  1.0
assign (resid 33  and name HA    ) (resid   35  and name HN  )   4.0   2.2  1.0
assign (resid 33  and name HA    ) (resid   35  and name HD#  )   4.0   2.2  1.0
assign (resid 33  and name HB    ) (resid   35  and name HN  )   4.0   2.2  1.0
assign (resid 33  and name HB    ) (resid   35  and name HD#  )   4.0   2.2  1.0
assign (resid 33  and name HB    ) (resid   35  and name HB1  )   5.0   3.2  1.0
assign (resid 33  and name HB    ) (resid   35  and name HB2  )   5.0   3.2  1.0
assign (resid 33  and name HB    ) (resid   35  and name HE#  )   4.0   2.2  1.0
assign (resid 33  and name HG2#  ) (resid   35  and name HN  )   4.0   2.2  1.0
assign (resid 33  and name HG2#  ) (resid   35  and name HE#  )   4.0   2.2  1.0
!L34
assign (resid 34  and name HA    ) (resid   34  and name HN  )   2.2   0.4  0.3
assign (resid 34  and name HN    ) (resid   35  and name HN  )   2.5   0.7  0.5
assign (resid 34  and name HA    ) (resid   35  and name HN  )   3.0   1.2  1.0
assign (resid 34  and name HB1   ) (resid   35  and name HN  )   4.0   2.2  1.0
assign (resid 34  and name HB2   ) (resid   35  and name HN  )   4.0   2.2  1.0
assign (resid 34  and name HB1   ) (resid   35  and name HE#  )   4.0   2.2  1.0
assign (resid 34  and name HB2   ) (resid   35  and name HE#  )   4.0   2.2  1.0
assign (resid 34  and name HG    ) (resid   35  and name HN  )   4.0   2.2  1.0
assign (resid 34  and name HD1#  ) (resid   35  and name HN  )   4.0   2.2  1.0
assign (resid 34  and name HD2#  ) (resid   35  and name HN  )   4.0   2.2  1.0
assign (resid 34  and name HA    ) (resid   65  and name HN  )   4.0   2.2  1.0
assign (resid 34  and name HA    ) (resid   65  and name HA  )   4.0   2.2  1.0
assign (resid 34  and name HA    ) (resid   65  and name HB#  )   4.0   2.2  1.0
assign (resid 34  and name HB1   ) (resid   65  and name HB#  )   4.0   2.2  1.0
assign (resid 34  and name HB2   ) (resid   65  and name HB#  )   4.0   2.2  1.0
assign (resid 34  and name HG    ) (resid   64  and name HB#  )   5.0   3.2  1.0
assign (resid 34  and name HD2#  ) (resid   64  and name HB#  )   5.0   3.2  1.0
assign (resid 34  and name HD2#  ) (resid   65  and name HA  )   4.0   2.2  1.0
assign (resid 34  and name HD2#  ) (resid   65  and name HB#  )   4.0   2.2  1.0
assign (resid 34  and name HD2#  ) (resid   66  and name HG#  )   4.0   2.2  1.0
!Y35
assign (resid 35  and name HN    ) (resid   36  and name HN  )   4.0   2.2  1.0
assign (resid 35  and name HA    ) (resid   36  and name HN  )   2.5   0.7  0.2
assign (resid 35  and name HB1   ) (resid   36  and name HN  )   4.0   2.2  1.0
assign (resid 35  and name HB2   ) (resid   36  and name HN  )   4.0   2.2  1.0
assign (resid 35  and name HN    ) (resid   65  and name HN  )   4.0   2.2  1.0
assign (resid 35  and name HN    ) (resid   64  and name HA  )   4.0   2.2  1.0
assign (resid 35  and name HN    ) (resid   65  and name HA  )   4.0   2.2  1.0
assign (resid 35  and name HA    ) (resid   63  and name HN  )   4.0   2.2  1.0
assign (resid 35  and name HA    ) (resid   64  and name HA  )   3.0   1.2  1.0
assign (resid 35  and name HA    ) (resid   65  and name HN  )   3.0   1.2  1.0
assign (resid 35  and name HA    ) (resid   65  and name HB#  )   4.0   2.2  1.0
assign (resid 35  and name HB1   ) (resid   63  and name HN  )   4.0   2.2  1.0
assign (resid 35  and name HB2   ) (resid   63  and name HN  )   4.0   2.2  1.0
assign (resid 35  and name HB2   ) (resid   65  and name HN  )   4.0   2.2  1.0
assign (resid 35  and name HD#   ) (resid   62  and name HB2  )   4.0   2.2  1.0
assign (resid 35  and name HD#   ) (resid   63  and name HN  )   4.0   2.2  1.0
assign (resid 35  and name HD#   ) (resid   64  and name HA  )   4.0   2.2  1.0
assign (resid 35  and name HD#   ) (resid   65  and name HN  )   5.0   3.2  1.0
assign (resid 35  and name HE#   ) (resid   64  and name HA  )   4.0   2.2  1.0
!Q36
assign (resid 36  and name HA    ) (resid   37  and name HN  )   2.5   0.7  0.2
assign (resid 36  and name HB#   ) (resid   37  and name HN  )   4.0   2.2  1.0
assign (resid 36  and name HB#   ) (resid   37  and name HG#  )   4.0   2.2  1.0
assign (resid 36  and name HG#   ) (resid   37  and name HN  )   4.0   2.2  1.0
assign (resid 36  and name HB#   ) (resid   38  and name HE#  )   4.0   2.2  1.0
assign (resid 36  and name HB#   ) (resid   63  and name HG2#  )   4.0   2.2  1.0
assign (resid 36  and name HB#   ) (resid   63  and name HB    )   5.0   3.2  1.0
assign (resid 36  and name HB#   ) (resid   63  and name HA    )   5.0   3.2  1.0
assign (resid 36  and name HB#   ) (resid   65  and name HA    )   4.0   2.2  1.0
assign (resid 36  and name HB1   ) (resid   65  and name HB#   )   4.0   2.2  1.0
assign (resid 36  and name HB2   ) (resid   65  and name HB#   )   4.0   2.2  1.0
assign (resid 36  and name HN    ) (resid   63  and name HN  )   3.0   1.2  1.0
assign (resid 36  and name HN    ) (resid   63  and name HA  )   5.0   3.2  1.0
assign (resid 36  and name HN    ) (resid   64  and name HA  )   3.0   1.2  1.0
assign (resid 36  and name HN    ) (resid   65  and name HN  )   4.0   2.2  1.0
assign (resid 36  and name HN    ) (resid   65  and name HB#  )   4.0   2.2  1.0
assign (resid 36  and name HB#   ) (resid   63  and name HN  )   4.0   2.2  1.0
assign (resid 36  and name HB#   ) (resid   65  and name HN  )   4.0   2.2  1.0
assign (resid 36  and name HB#   ) (resid   65  and name HA  )   4.0   2.2  1.0
assign (resid 36  and name HB#   ) (resid   65  and name HB#  )   4.0   2.2  1.0
assign (resid 36  and name HG#   ) (resid   64  and name HA  )   4.0   2.2  1.0
!R37
assign (resid 37  and name HA    ) (resid   38  and name HN  )   2.5   0.7  0.2
assign (resid 37  and name HB#   ) (resid   38  and name HN  )   4.0   2.2  1.0
assign (resid 37  and name HG#   ) (resid   38  and name HN  )   4.0   2.2  1.0
assign (resid 37  and name HD#   ) (resid   38  and name HN  )   4.0   2.2  1.0
assign (resid 37  and name HA    ) (resid   62  and name HE#  )   4.0   2.2  1.0
assign (resid 37  and name HA    ) (resid   63  and name HN  )   3.0   1.2  1.0
assign (resid 37  and name HA    ) (resid   63  and name HG2#  )   4.0   2.2  1.0
assign (resid 37  and name HB#   ) (resid   63  and name HN  )   5.0   3.2  1.0
assign (resid 37  and name HG#   ) (resid   62  and name HD#  )   4.0   2.2  1.0
assign (resid 37  and name HG#   ) (resid   62  and name HE#  )   4.0   2.2  1.0
assign (resid 37  and name HG#   ) (resid   60  and name HB1  )   4.0   2.2  1.0
assign (resid 37  and name HG#   ) (resid   60  and name HD#  )   4.0   2.2  1.0
assign (resid 37  and name HD#   ) (resid   60  and name HB#  )   4.0   2.2  1.0
assign (resid 37  and name HD1   ) (resid   62  and name HE#  )   4.0   2.2  1.0
assign (resid 37  and name HD2   ) (resid   62  and name HE#  )   4.0   2.2  1.0
!Y38
assign (resid 38  and name HA    ) (resid   39  and name HN  )   2.5   0.7  0.2
assign (resid 38  and name HB#   ) (resid   39  and name HN  )   4.0   2.2  1.0
assign (resid 38  and name HN    ) (resid   60  and name HA  )   4.0   2.2  1.0
assign (resid 38  and name HN    ) (resid   60  and name HD#  )   4.0   2.2  1.0
assign (resid 38  and name HN    ) (resid   61  and name HN  )   3.0   1.2  1.0
assign (resid 38  and name HN    ) (resid   62  and name HA  )   3.0   1.2  1.0
assign (resid 38  and name HA    ) (resid   61  and name HN  )   4.0   2.2  1.0
assign (resid 38  and name HB#   ) (resid   61  and name HN  )   4.0   2.2  1.0
assign (resid 38  and name HB#   ) (resid   61  and name HB  )   4.0   2.2  1.0
assign (resid 38  and name HB1   ) (resid   61  and name HG1#  )   4.0   2.2  1.0
assign (resid 38  and name HB2   ) (resid   61  and name HG1#  )   4.0   2.2  1.0
assign (resid 38  and name HB1   ) (resid   61  and name HG2#  )   4.0   2.2  1.0
assign (resid 38  and name HE#   ) (resid   61  and name HG1#  )   5.0   3.2  1.0
assign (resid 38  and name HB2   ) (resid   61  and name HG2#  )   4.0   2.2  1.0
assign (resid 38  and name HD#   ) (resid   61  and name HG1#  )   4.0   2.2  1.0
assign (resid 38  and name HD#   ) (resid   61  and name HG2#  )   4.0   2.2  1.0
assign (resid 38  and name HD#   ) (resid   63  and name HG2#  )   4.0   2.2  1.0
assign (resid 38  and name HD#   ) (resid   74  and name HN  )   4.0   2.2  1.0
assign (resid 38  and name HD#   ) (resid   74  and name HE1  )   5.0   3.2  1.0
assign (resid 38  and name HE#   ) (resid   63  and name HG2#  )   4.0   2.2  1.0
assign (resid 38  and name HE#   ) (resid   72  and name HD#  )   4.0   2.2  1.0
assign (resid 38  and name HE#   ) (resid   72  and name HE#  )   4.0   2.2  1.0
assign (resid 38  and name HE#   ) (resid   73  and name HB#  )   5.0   3.2  1.0
assign (resid 38  and name HE#   ) (resid   74  and name HB1  )   4.0   2.2  1.0
assign (resid 38  and name HE#   ) (resid   74  and name HB2  )   4.0   2.2  1.0
assign (resid 38  and name HE#   ) (resid   74  and name HN  )   4.0   2.2  1.0
!E39
assign (resid 39  and name HA    ) (resid   40  and name HN  )   2.5   0.7  0.2
assign (resid 39  and name HB#   ) (resid   40  and name HN  )   4.0   2.2  1.0
assign (resid 39  and name HG#   ) (resid   40  and name HN  )   4.0   2.2  1.0
assign (resid 39  and name HN    ) (resid   60  and name HD#  )   4.0   2.2  1.0
assign (resid 39  and name HN    ) (resid   60  and name HE#  )   4.0   2.2  1.0
assign (resid 39  and name HA    ) (resid   60  and name HA  )   2.5   0.7  0.5
assign (resid 39  and name HA    ) (resid   60  and name HD#  )   4.0   2.2  1.0
assign (resid 39  and name HA    ) (resid   61  and name HN  )   3.0   1.2  1.0
assign (resid 39  and name HB#   ) (resid   60  and name HE#  )   4.0   2.2  1.0
assign (resid 39  and name HB#   ) (resid   60  and name HA  )   4.0   2.2  1.0
!I40
assign (resid 40  and name HN    ) (resid   41  and name HN  )   4.0   2.2  1.0
assign (resid 40  and name HA    ) (resid   41  and name HN  )   2.5   0.7  0.2
assign (resid 40  and name HB    ) (resid   41  and name HN  )   4.0   2.2  1.0
assign (resid 40  and name HG1#  ) (resid   41  and name HN  )   4.0   2.2  1.0
assign (resid 40  and name HD1#  ) (resid   41  and name HN  )   4.0   2.2  1.0
assign (resid 40  and name HG2#  ) (resid   41  and name HN  )   4.0   2.2  1.0
assign (resid 40  and name HA    ) (resid   42  and name HN  )   4.0   2.2  1.0
assign (resid 40  and name HN    ) (resid   59  and name HA  )   4.0   2.2  1.0
assign (resid 40  and name HN    ) (resid   60  and name HN  )   4.0   2.2  1.0
assign (resid 40  and name HN    ) (resid   60  and name HA  )   3.0   1.2  1.0
assign (resid 40  and name HN    ) (resid   60  and name HD#  )   4.0   2.2  1.0
assign (resid 40  and name HN    ) (resid   60  and name HE#  )   4.0   2.2  1.0
assign (resid 40  and name HB    ) (resid   59  and name HA  )   4.0   2.2  1.0
assign (resid 40  and name HG1#  ) (resid   59  and name HA  )   4.0   2.2  1.0
assign (resid 40  and name HG1#  ) (resid   60  and name HA  )   4.0   2.2  1.0
assign (resid 40  and name HG1#  ) (resid   60  and name HN  )   4.0   2.2  1.0
assign (resid 40  and name HG1#  ) (resid   61  and name HN  )   4.0   2.2  1.0
assign (resid 40  and name HD1#  ) (resid   58  and name HG2#  )   4.0   2.2  1.0
assign (resid 40  and name HD1#  ) (resid   59  and name HA  )   4.0   2.2  1.0
assign (resid 40  and name HD1#  ) (resid   60  and name HN  )   4.0   2.2  1.0
assign (resid 40  and name HD1#  ) (resid   60  and name HA  )   4.0   2.2  1.0
assign (resid 40  and name HD1#  ) (resid   61  and name HN  )   4.0   2.2  1.0
assign (resid 40  and name HD1#  ) (resid   61  and name HB  )   4.0   2.2  1.0
assign (resid 40  and name HD1#  ) (resid   61  and name HG1#  )   4.0   2.2  1.0
assign (resid 40  and name HD1#  ) (resid   61  and name HG2#  )   4.0   2.2  1.0
assign (resid 40  and name HD1#  ) (resid   94  and name HD2#  )   4.0   2.2  1.0
assign (resid 40  and name HG2#  ) (resid   61  and name HG1#  )   4.0   2.2  1.0
assign (resid 40  and name HG2#  ) (resid   61  and name HG2#  )   4.0   2.2  1.0
assign (resid 40  and name HG2#  ) (resid   61  and name HB  )   4.0   2.2  1.0
assign (resid 40  and name HG2#  ) (resid   85  and name HD1#  )   4.0   2.2  1.0
!K41
assign (resid 41  and name HN    ) (resid   42  and name HN  )   4.0   2.2  1.0
assign (resid 41  and name HA    ) (resid   42  and name HN  )   2.5   0.7  0.2
assign (resid 41  and name HA    ) (resid   42  and name HB2  )   4.0   2.2  1.0
assign (resid 41  and name HB#   ) (resid   42  and name HN  )   4.0   2.2  1.0
assign (resid 41  and name HG#   ) (resid   42  and name HN  )   4.0   2.2  1.0
assign (resid 41  and name HE#   ) (resid   42  and name HB1  )   5.0   3.2  1.0
assign (resid 41  and name HB#   ) (resid   43  and name HN  )   5.0   3.2  1.0
!M42
assign (resid 42  and name HA    ) (resid   43  and name HN  )   3.0   1.2  1.0
assign (resid 42  and name HB2   ) (resid   43  and name HN  )   4.0   2.2  1.0
assign (resid 42  and name HG#   ) (resid   43  and name HN  )   4.0   2.2  1.0
assign (resid 42  and name HA    ) (resid   44  and name HN  )   4.0   2.2  1.0
assign (resid 42  and name HG#   ) (resid   44  and name HN  )   4.0   2.2  1.0
assign (resid 42  and name HB1   ) (resid   59  and name HA  )   5.0   3.2  1.0
assign (resid 42  and name HB2   ) (resid   59  and name HA  )   5.0   3.2  1.0
!T43
assign (resid 43  and name HN    ) (resid   44  and name HN  )   4.0   2.2  1.0
assign (resid 43  and name HA    ) (resid   44  and name HN  )   3.0   1.2   1.0
assign (resid 43  and name HB    ) (resid   44  and name HN  )   4.0   2.2  1.0
assign (resid 43  and name HG2#  ) (resid   44  and name HN  )   4.0   2.2  1.0
assign (resid 43  and name HG2#  ) (resid   82  and name HG#   )   4.0   2.2  1.0
!K44
assign (resid 44  and name HN    ) (resid   45  and name HN  )   4.0   2.2  1.0
assign (resid 44  and name HA    ) (resid   45  and name HN  )   2.5   0.7  0.2
assign (resid 44  and name HB#   ) (resid   45  and name HN  )   4.0   2.2  1.0
assign (resid 44  and name HG#   ) (resid   45  and name HN  )   4.0   2.2  1.0
assign (resid 44  and name HD#   ) (resid   45  and name HN  )   4.0   2.2  1.0
assign ((resid 44  and name HG# ) or (resid 47 and name HB#)) (resid  46  and name HN )  4.0  2.2  1.0
!M45
assign (resid 45  and name HA    ) (resid   46  and name HN  )   2.5   0.7  0.2
assign (resid 45  and name HB#   ) (resid   46  and name HN  )   4.0   2.2  1.0
assign (resid 45  and name HG#   ) (resid   46  and name HN  )   4.0   2.2  1.0
assign (resid 45  and name HA    ) (resid   47  and name HN  )   4.0   2.2  1.0
assign (resid 45  and name HB#   ) (resid   47  and name HN  )   4.0   2.2  1.0
assign (resid 45  and name HB#   ) (resid   48  and name HN  )   4.0   2.2  1.0
assign (resid 45  and name HB#   ) (resid   49  and name HA  )   5.0   3.2  1.0
assign (resid 45  and name HB#   ) (resid   49  and name HD#  )   4.0   2.2  1.0
assign (resid 45  and name HG#   ) (resid   47  and name HN  )   4.0   2.2  1.0
assign (resid 45  and name HG#   ) (resid   47  and name HB#  )   5.0   3.2  1.0
assign (resid 45  and name HG#   ) (resid   49  and name HD#  )   4.0   2.2  1.0
!Y46
assign (resid 46  and name HN    ) (resid   47  and name HN  )   3.0   1.2  1.0
assign (resid 46  and name HA    ) (resid   47  and name HN  )   4.0   2.2  1.0
assign (resid 46  and name HB1   ) (resid   47  and name HN  )   4.0   2.2  1.0
assign (resid 46  and name HB2   ) (resid   47  and name HN  )   4.0   2.2  1.0
assign (resid 46  and name HB1   ) (resid   47  and name HB#  )   4.0   2.2  1.0
assign (resid 46  and name HD#   ) (resid   47  and name HN  )   4.0   2.2  1.0
assign (resid 46  and name HD#   ) (resid   84  and name HD1#  )   5.0   3.2  1.0
assign (resid 46  and name HD#   ) (resid   84  and name HD2#  )   4.0   2.2  1.0
assign (resid 46  and name HD#   ) (resid  105  and name HH2  )   4.0   2.2  1.0
assign (resid 46  and name HD#   ) (resid  105  and name HZ2  )   4.0   2.2  1.0
assign (resid 46  and name HD#   ) (resid  116  and name HB#  )   4.0   2.2  1.0
assign (resid 46  and name HD#   ) (resid  117  and name HN  )   4.0   2.2  1.0
assign (resid 46  and name HD#   ) (resid  117  and name HA  )   4.0   2.2  1.0
assign (resid 46  and name HD#   ) (resid  117  and name HB  )   4.0   2.2  1.0
assign (resid 46  and name HD#   ) (resid  117  and name HG2#  )   4.0   2.2  1.0
assign (resid 46  and name HE#   ) (resid   84  and name HD2#  )   4.0   2.2  1.0
assign (resid 46  and name HE#   ) (resid  105  and name HH2  )   4.0   2.2  1.0
assign (resid 46  and name HE#   ) (resid  105  and name HZ3  )   4.0   2.2  1.0
assign (resid   46  and name HE#   ) (resid  117  and name HN    )   4.0   2.2   1.0
assign (resid 46  and name HE#   ) (resid  117  and name HA  )   4.0   2.2  1.0
assign (resid 46  and name HE#   ) (resid  117  and name HG2#  )   4.0   2.2  1.0
!K47
assign (resid 47  and name HN    ) (resid   48  and name HN  )   4.0   2.2  1.0
assign (resid 47  and name HA    ) (resid   48  and name HN  )   3.0   1.2  1.0
assign (resid 47  and name HA    ) (resid   48  and name HA#  )   4.0   2.2  1.0
assign (resid 47  and name HB#   ) (resid   48  and name HN  )   4.0   2.2  1.0
assign (resid 47  and name HB#   ) (resid   48  and name HA#  )   4.0   2.2  1.0
assign (resid 47  and name HG1   ) (resid   48  and name HN  )   4.0   2.2  1.0
assign (resid 47  and name HG2   ) (resid   48  and name HN  )   4.0   2.2  1.0
assign (resid 47  and name HA    ) (resid   49  and name HN  )   4.0   2.2  1.0
assign (resid 47  and name HB#   ) (resid   49  and name HN  )   5.0   3.2  1.0
assign (resid 47  and name HG#   ) (resid   49  and name HN  )   5.0   3.2  1.0
assign (resid 47  and name HG#   ) (resid   49  and name HD#  )   5.0   3.2  1.0
!G48
assign (resid 48  and name HN    ) (resid   49  and name HN  )   3.0   1.2  1.0
assign (resid 48  and name HA1   ) (resid   49  and name HN  )   4.0   2.2  1.0
assign (resid 48  and name HA2   ) (resid   49  and name HN  )   4.0   2.2  1.0
assign (resid 48  and name HA#   ) (resid   49  and name HA  )   4.0   2.2  1.0
assign (resid 48  and name HA#   ) (resid   49  and name HD#  )   4.0   2.2  1.0
assign (resid 48  and name HN    ) (resid   50  and name HN  )   4.0   2.2  1.0
assign (resid 48  and name HA#   ) (resid   50  and name HN  )   4.0   2.2  1.0
assign (resid 48  and name HA#   ) (resid   51  and name HN  )   4.0   2.2  1.0
assign (resid 48  and name HA#   ) (resid   51  and name HA  )   4.0   2.2  1.0
assign (resid 48  and name HA#   ) (resid   51  and name HB#  )   4.0   2.2  1.0
assign (resid 48  and name HA#   ) (resid   52  and name HN  )   5.0   3.2  1.0
assign (resid 48  and name HB#   ) (resid   54  and name HN  )   5.0   3.2  1.0
!F49
assign (resid 49  and name HN    ) (resid   50  and name HN  )   4.0   2.2  1.0
assign (resid 49  and name HA    ) (resid   50  and name HN  )   3.0   1.2  1.0
assign (resid 49  and name HA    ) (resid   50  and name HG#  )   5.0   3.2  1.0
assign (resid 49  and name HB1   ) (resid   50  and name HN  )   4.0   2.2  1.0
assign (resid 49  and name HB2   ) (resid   50  and name HN  )   3.0   1.2  1.0
assign (resid 49  and name HB2   ) (resid   50  and name HG#  )   5.0   3.2  1.0
assign (resid 49  and name HD#   ) (resid   50  and name HN  )   4.0   2.2  1.0
assign (resid 49  and name HN    ) (resid   51  and name HN  )   5.0   3.2  1.0
assign (resid 49  and name HN    ) (resid   52  and name HN  )   4.0   2.2  1.0
assign (resid 49  and name HA    ) (resid   51  and name HN  )   4.0   2.2  1.0
assign (resid 49  and name HA    ) (resid   52  and name HN  )   4.0   2.2  1.0
assign (resid 49  and name HA    ) (resid   52  and name HB#  )   5.0   3.2  1.0
assign (resid 49  and name HA    ) (resid   52  and name HG  )   5.0   3.2  1.0
assign (resid 49  and name HB#   ) (resid   52  and name HA  )   5.0   3.2  1.0
assign (resid 49  and name HB2   ) (resid   52  and name HD1#  )   5.0   3.2  1.0
!Q50
assign (resid 50  and name HN    ) (resid   51  and name HN  )   3.0   1.2  1.0
assign (resid 50  and name HA    ) (resid   51  and name HN  )   3.0   1.2  1.0
assign (resid 50  and name HA    ) (resid   51  and name HB#  )   4.0   2.2  1.0
assign (resid 50  and name HB1   ) (resid   51  and name HN  )   4.0   2.2  1.0
assign (resid 50  and name HB2   ) (resid   51  and name HN  )   4.0   2.2  1.0
assign (resid 50  and name HB#   ) (resid   51  and name HA  )   4.0   2.2  1.0
assign (resid 50  and name HB#   ) (resid   51  and name HB#  )   4.0   2.2  1.0
assign (resid 50  and name HG#   ) (resid   51  and name HN  )   4.0   2.2  1.0
assign (resid 50  and name HG#   ) (resid   51  and name HA  )   4.0   2.2  1.0
assign (resid 50  and name HB#   ) (resid   52  and name HN  )   5.0   3.2  1.0
!A51
assign (resid 51  and name HA    ) (resid   52  and name HN  )   3.0   1.2  1.0
assign (resid 51  and name HN    ) (resid   52  and name HN  )   3.0   1.2  1.0
assign (resid 51  and name HB#   ) (resid   52  and name HN  )   4.0   2.2  1.0
assign (resid 51  and name HN    ) (resid   53  and name HN  )   5.0   3.2  1.0
assign (resid 51  and name HB#   ) (resid   53  and name HN  )   4.0   2.2  1.0
assign (resid 51  and name HB#   ) (resid   53  and name HA#  )   5.0   3.2  1.0
assign (resid 51  and name HB#   ) (resid   89  and name HD1#  )   3.0   1.2  1.0
assign (resid 51  and name HB#   ) (resid   89  and name HD2#  )   4.0   2.2  1.0
!L52
assign (resid 52  and name HN    ) (resid   53  and name HN  )   2.5   0.7   0.8
assign (resid 52  and name HA    ) (resid   53  and name HN  )   3.0   1.2  1.0
assign (resid 52  and name HB#   ) (resid   53  and name HN  )   4.0   2.2  1.0
assign (resid 52  and name HG    ) (resid   53  and name HN  )   4.0   2.2  1.0
assign (resid 52  and name HD#   ) (resid   53  and name HN  )   4.0   2.2  1.0
assign (resid 52  and name HA    ) (resid   54  and name HN  )   4.0   2.2  1.0
assign (resid 52  and name HB#   ) (resid   54  and name HN  )   4.0   2.2  1.0
assign (resid 52  and name HA    ) (resid   57  and name HB#  )   5.0   3.2  1.0
!G53
assign (resid 53  and name HN    ) (resid   54  and name HN  )   3.0   1.2  1.0
assign (resid 53  and name HA1   ) (resid   54  and name HN  )   4.0   2.2  1.0
assign (resid 53  and name HA2   ) (resid   54  and name HN  )   4.0   2.2  1.0
assign (resid 53  and name HN    ) (resid   55  and name HN  )   4.0   2.2  1.0
assign (resid 53  and name HN    ) (resid   56  and name HN  )   5.0   3.2  1.0
assign (resid 53  and name HA#   ) (resid   55  and name HN  )   4.0   2.2  1.0
assign (resid 53  and name HA#   ) (resid   55  and name HB#  )   5.0   3.2  1.0
assign (resid 53  and name HA#   ) (resid   57  and name HB#  )   4.0   2.2  1.0
!D54
assign (resid 54  and name HN    ) (resid   55  and name HN  )   3.0   1.2  1.0
assign (resid 54  and name HA    ) (resid   55  and name HN  )   3.0   1.2  1.0
assign (resid 54  and name HA    ) (resid   55  and name HB#  )   4.0   2.2  1.0
assign (resid 54  and name HB#   ) (resid   55  and name HN  )   4.0   2.2  1.0
assign (resid 54  and name HN    ) (resid   56  and name HN  )   4.0   2.2  1.0
assign (resid 54  and name HN    ) (resid   57  and name HN  )   4.0   2.2  1.0
assign (resid 54  and name HA    ) (resid   56  and name HN  )   4.0   2.2  1.0
assign (resid 54  and name HB#   ) (resid   56  and name HN  )   5.0   3.2  1.0
!A55
assign (resid 55  and name HN    ) (resid   56  and name HN  )   3.0   1.2  1.0
assign (resid 55  and name HA    ) (resid   56  and name HN  )   3.0   1.2  1.0
assign (resid 55  and name HA    ) (resid   56  and name HA  )   4.0   2.2  1.0
assign (resid 55  and name HA    ) (resid   56  and name HB#  )   4.0   2.2  1.0
assign (resid 55  and name HB#   ) (resid   56  and name HN  )   4.0   2.2  1.0
assign (resid 55  and name HB#   ) (resid   57  and name HN  )   4.0   2.2  1.0
assign (resid 55  and name HB#   ) (resid   57  and name HB#  )   5.0   3.2  1.0
!A56
assign (resid 56  and name HN    ) (resid   57  and name HN  )   3.0   1.2  1.0
assign (resid 56  and name HA    ) (resid   57  and name HN  )   3.0   1.2  1.0
assign (resid 56  and name HB#   ) (resid   57  and name HN  )   4.0   2.2  1.0
assign (resid 56  and name HA    ) (resid   58  and name HD1#  )   4.0   2.2  1.0
assign (resid 56  and name HA    ) (resid   58  and name HG1#  )   4.0   2.2  1.0
assign (resid 56  and name HA    ) (resid   59  and name HB#  )   5.0   3.2  1.0
assign (resid 56  and name HA    ) (resid   59  and name HD#  )   4.0   2.2  1.0
assign (resid 56  and name HB#   ) (resid   58  and name HD1#  )   4.0   2.2  1.0
!D57
assign (resid 57  and name HN    ) (resid   58  and name HN  )   3.0   1.2  1.0
assign (resid 57  and name HA    ) (resid   58  and name HN  )   3.0   1.2  1.0
assign (resid 57  and name HA    ) (resid   58  and name HA  )   4.0   2.2  1.0
assign (resid 57  and name HA    ) (resid   58  and name HG1#  )   4.0   2.2  1.0
assign (resid 57  and name HA    ) (resid   58  and name HD1#  )   4.0   2.2  1.0
assign (resid 57  and name HA    ) (resid   58  and name HG2#  )   5.0   3.2  1.0
assign (resid 57  and name HB#   ) (resid   58  and name HN  )   4.0   2.2  1.0
assign (resid 57  and name HN    ) (resid   59  and name HG#  )   4.0   2.2  1.0
!I58
assign (resid 58  and name HN    ) (resid   59  and name HN  )   4.0   2.2  1.0
assign (resid 58  and name HA    ) (resid   59  and name HN  )   3.0   1.2  1.0
assign (resid 58  and name HA    ) (resid   59  and name HG1  )   4.0   2.2  1.0
assign (resid 58  and name HA    ) (resid   59  and name HG2  )   4.0   2.2  1.0
assign (resid 58  and name HA    ) (resid   59  and name HD#  )   5.0   3.2  1.0
assign (resid 58  and name HB    ) (resid   59  and name HN  )   4.0   2.2  1.0
assign (resid 58  and name HG1#  ) (resid   59  and name HN  )   4.0   2.2  1.0
assign (resid 58  and name HD1#  ) (resid   59  and name HN  )   5.0   3.2  1.0
assign (resid 58  and name HG2#  ) (resid   59  and name HN  )   4.0   2.2  1.0
assign (resid 58  and name HG2#  ) (resid   59  and name HA  )   4.0   2.2  1.0
assign (resid 58  and name HA    ) (resid   60  and name HN  )   4.0   2.2  1.0
assign (resid 58  and name HG2#  ) (resid   60  and name HA  )   4.0   2.2  1.0
assign (resid 58  and name HG2#  ) (resid   60  and name HN  )   4.0   2.2  1.0
assign (resid 58  and name HB    ) (resid   94  and name HB#  )   5.0   3.2  1.0
assign (resid 58  and name HG2#  ) (resid   94  and name HA  )   4.0   2.2  1.0
assign (resid 58  and name HG2#  ) (resid   94  and name HB1  )   4.0   2.2  1.0
assign (resid 58  and name HG2#  ) (resid   94  and name HB2  )   4.0   2.2  1.0
assign (resid 58  and name HG2#  ) (resid   94  and name HN  )   5.0   3.2  1.0
!R59
assign (resid 59  and name HN    ) (resid   60  and name HN  )   3.0   1.2  1.0
assign (resid 59  and name HA    ) (resid   60  and name HN  )   4.0   2.2  1.0
assign (resid 59  and name HB#   ) (resid   60  and name HN  )   4.0   2.2  1.0
assign (resid 59  and name HB#   ) (resid   60  and name HD#  )   4.0   2.2  1.0
assign (resid 59  and name HB#   ) (resid   60  and name HE#  )   4.0   2.2  1.0
assign (resid 59  and name HG1   ) (resid   60  and name HN  )   4.0   2.2  1.0
assign (resid 59  and name HG2   ) (resid   60  and name HN  )   4.0   2.2  1.0
assign (resid 59  and name HG#   ) (resid   60  and name HE#  )   4.0   2.2  1.0
assign (resid 59  and name HD#   ) (resid   60  and name HN  )   5.0   3.2  1.0
assign (resid 59  and name HD#   ) (resid   60  and name HD#  )   4.0   2.2  1.0
assign (resid 59  and name HD#   ) (resid   60  and name HE#  )   4.0   2.2  1.0
!F60
assign (resid 60  and name HA    ) (resid   61  and name HN  )   2.5   0.7  0.2
assign (resid 60  and name HN    ) (resid   61  and name HN  )   3.0   1.2  1.0
assign (resid 60  and name HB1   ) (resid   61  and name HN  )   4.0   2.2  1.0
assign (resid 60  and name HB2   ) (resid   61  and name HN  )   4.0   2.2  1.0
assign (resid 60  and name HD#   ) (resid   61  and name HN  )   4.0   2.2  1.0
assign (resid 60  and name HA    ) (resid   61  and name HB    )   4.0   2.2  1.0
assign (resid 60  and name HA    ) (resid   61  and name HG1#  )   4.0   2.2  1.0
assign (resid 60  and name HA    ) (resid   61  and name HG2#  )   4.0   2.2  1.0
assign (resid 60  and name HA    ) (resid   62  and name HD#  )   4.0   2.2  1.0
assign (resid 60  and name HA    ) (resid   62  and name HE#  )   4.0   2.2  1.0
assign (resid 60  and name HB1   ) (resid   62  and name HE#  )   4.0   2.2  1.0
assign (resid 60  and name HB2   ) (resid   62  and name HE#  )   4.0   2.2  1.0
assign (resid 60  and name HD#   ) (resid   62  and name HE#  )   4.0   2.2  1.0
!V61
assign (resid 61  and name HA    ) (resid   62  and name HN  )   2.5   0.7  0.2
assign (resid 61  and name HA    ) (resid   62  and name HD#  )   4.0   2.2  1.0
assign (resid 61  and name HB    ) (resid   62  and name HN  )   4.0   2.2  1.0
assign (resid 61  and name HG1#  ) (resid   62  and name HN  )   4.0   2.2  1.0
assign (resid 61  and name HG2#  ) (resid   62  and name HN  )   4.0   2.2  1.0
assign (resid 61  and name HG1#  ) (resid   63  and name HN  )   5.0   3.2  1.0
assign (resid 61  and name HA    ) (resid   94  and name HN  )   3.0   1.2  1.0
assign (resid 61  and name HA    ) (resid   94  and name HB#   )   4.0   2.2  1.0
assign (resid 61  and name HB    ) (resid   94  and name HD2#  )   4.0   2.2  1.0
assign (resid 61  and name HG1#  ) (resid   85  and name HD1#  )   4.0   2.2  1.0
assign (resid 61  and name HG1#  ) (resid   94  and name HB#  )   4.0   2.2  1.0
assign (resid 61  and name HG1#  ) (resid   94  and name HG  )   4.0   2.2  1.0
assign (resid 61  and name HG1#  ) (resid   96  and name HD1#  )   4.0   2.2  1.0
assign (resid 61  and name HG2#  ) (resid   85  and name HD1#  )   4.0   2.2  1.0
assign (resid 61  and name HG2#  ) (resid   94  and name HB#  )   4.0   2.2  1.0
assign (resid 61  and name HG2#  ) (resid   94  and name HG  )   4.0   2.2  1.0
assign (resid 61  and name HG2#  ) (resid   95  and name HA    )   4.0   2.2  1.0
assign (resid 61  and name HG2#  ) (resid   96  and name HB    )   4.0   2.2  1.0
assign (resid 61  and name HG2#  ) (resid   96  and name HG1#  )   4.0   2.2  1.0
assign (resid 61  and name HG2#  ) (resid   96  and name HD1#  )   4.0   2.2  1.0
!Y62
assign (resid 62  and name HN    ) (resid   63  and name HN  )   3.0   1.2  1.0
assign (resid 62  and name HA    ) (resid   63  and name HN  )   2.5   0.7  0.2
assign (resid 62  and name HB1   ) (resid   63  and name HN  )   3.0   1.2  1.0
assign (resid 62  and name HB2   ) (resid   63  and name HN  )   4.0   2.2  1.0
assign (resid 62  and name HD#   ) (resid   63  and name HN  )   4.0   2.2  1.0
assign (resid 62  and name HB2   ) (resid   93  and name HB1   )   4.0   2.2  1.0
assign (resid 62  and name HB2   ) (resid   93  and name HB2   )   4.0   2.2  1.0
assign (resid 62  and name HN    ) (resid   93  and name HB1   )   5.0   3.2  1.0
assign (resid 62  and name HN    ) (resid   94  and name HN  )   3.0   1.2  1.0
assign (resid 62  and name HN    ) (resid   94  and name HB#  )   5.0   3.2  1.0
assign (resid 62  and name HN    ) (resid   94  and name HG#  )   5.0   3.2  1.0
assign (resid 62  and name HN    ) (resid   95  and name HA  )   3.0   1.2  1.0
assign (resid 62  and name HA    ) (resid   95  and name HB#  )   5.0   3.2  1.0
assign (resid 62  and name HD#   ) (resid   93  and name HB1  )   4.0   2.2  1.0
assign (resid 62  and name HD#   ) (resid   94  and name HN  )   4.0   2.2  1.0
assign (resid 62  and name HD#   ) (resid   95  and name HD2  )   4.0   2.2  1.0
assign (resid 62  and name HE#   ) (resid   93  and name HD1#  )   4.0   2.2  1.0
assign (resid 62  and name HE#   ) (resid   93  and name HD2#  )   4.0   2.2  1.0
assign (resid 62  and name HE#   ) (resid   93  and name HB1  )   4.0   2.2  1.0
assign (resid 62  and name HE#   ) (resid   94  and name HA  )   5.0   3.2  1.0
assign (resid 62  and name HE#   ) (resid   94  and name HN  )   5.0   3.2  1.0
assign (resid 62  and name HE#   ) (resid   95  and name HD2  )   5.0   3.2  1.0
!T63
assign (resid 63  and name HA    ) (resid   64  and name HB#  )   4.0   2.2  1.0
assign (resid 63  and name HA    ) (resid   64  and name HD#  )   3.0   1.2  1.0
assign (resid 63  and name HG2#  ) (resid   65  and name HA  )   4.0   2.2  1.0
assign (resid 63  and name HG2#  ) (resid   65  and name HB#  )   4.0   2.2  1.0
assign (resid 63  and name HA    ) (resid   96  and name HN  )   3.0   1.2  1.0
assign (resid 63  and name HA    ) (resid   95  and name HB#  )   5.0   3.2  1.0
assign (resid 63  and name HB    ) (resid   96  and name HG1#  )   5.0   3.2  1.0
assign (resid 63  and name HN    ) (resid   96  and name HG1#  )   5.0   3.2  1.0
assign (resid 63  and name HB    ) (resid   71  and name HN  )   4.0   2.2  1.0
assign (resid   63  and name HB    ) (resid   96  and name HN    )   4.0   2.2   1.0
assign (resid 63  and name HB    ) (resid   96  and name HG2#  )   4.0   2.2  1.0
assign (resid 63  and name HB    ) (resid   96  and name HD1#  )   4.0   2.2  1.0
assign (resid 63  and name HG2#  ) (resid   71  and name HN  )   5.0   3.2  1.0
assign (resid 63  and name HG2#  ) (resid   72  and name HN  )   4.0   2.2  1.0
assign (resid 63  and name HG2#  ) (resid   72  and name HB1  )   4.0   2.2  1.0
assign (resid 63  and name HG2#  ) (resid   72  and name HB2  )   4.0   2.2  1.0
assign (resid 63  and name HG2#  ) (resid   72  and name HD#  )   4.0   2.2  1.0
assign (resid   63  and name HG2#  ) (resid   96  and name HN    )   4.0   2.2   1.0
!P64
assign (resid 64  and name HA    ) (resid   65  and name HN  )   2.5   0.7  0.2
assign (resid 64  and name HB#   ) (resid   65  and name HN  )   4.0   2.2  1.0
assign (resid 64  and name HG#   ) (resid   65  and name HN  )   4.0   2.2  1.0
assign (resid 64  and name HA    ) (resid   69  and name HG1#  )   4.0   2.2  1.0
assign (resid 64  and name HB#   ) (resid   69  and name HA  )   4.0   2.2  1.0
assign (resid 64  and name HB1   ) (resid   69  and name HG1#  )   4.0   2.2  1.0
assign (resid 64  and name HB2   ) (resid   69  and name HG1#  )   4.0   2.2  1.0
assign (resid 64  and name HB1   ) (resid   69  and name HG2#  )   4.0   2.2  1.0
assign (resid 64  and name HB2   ) (resid   69  and name HG2#  )   4.0   2.2  1.0
assign (resid 64  and name HB#   ) (resid   71  and name HN  )   4.0   2.2  1.0
assign (resid 64  and name HG#   ) (resid   69  and name HB  )   5.0   3.2  1.0
assign (resid 64  and name HG#   ) (resid   69  and name HG1#  )   4.0   2.2  1.0
assign (resid 64  and name HG#   ) (resid   69  and name HG2#  )   4.0   2.2  1.0
assign (resid 64  and name HG#   ) (resid   71  and name HN  )   4.0   2.2  1.0
assign (resid 64  and name HG#   ) (resid   71  and name HA#  )   4.0   2.2  1.0
assign (resid 64  and name HD#   ) (resid   69  and name HG1#  )   5.0   3.2  1.0
assign (resid 64  and name HD#   ) (resid   70  and name HN    )   5.0   3.2  1.0
assign (resid 64  and name HD#   ) (resid   70  and name HB#   )   5.0   3.2  1.0
assign (resid 64  and name HD#   ) (resid   71  and name HA#  )   4.0   2.2  1.0
!A65
assign (resid 65  and name HN    ) (resid   66  and name HN  )   3.0   1.2  1.0
assign (resid 65  and name HA    ) (resid   66  and name HN  )   4.0   2.2  1.0
assign (resid 65  and name HB#   ) (resid   66  and name HG#  )   4.0   2.2  1.0
assign (resid 65  and name HN    ) (resid   69  and name HG2#  )   4.0   2.2  1.0
assign (resid 65  and name HA    ) (resid   69  and name HG2#  )   4.0   2.2  1.0
assign (resid 65  and name HA    ) (resid   71  and name HA#  )   4.0   2.2  1.0
!M66
assign (resid 66  and name HN    ) (resid   69  and name HG1#  )   4.0   2.2  1.0
assign (resid 66  and name HN    ) (resid   69  and name HG2#  )   4.0   2.2  1.0
assign (resid 66  and name HB#   ) (resid   69  and name HA  )   5.0   3.2  1.0
assign (resid 66  and name HA    ) (resid   69  and name HB  )   4.0   2.2  1.0
assign (resid 66  and name HB1   ) (resid   69  and name HB  )   4.0   2.2  1.0
assign (resid 66  and name HB2   ) (resid   69  and name HB  )   4.0   2.2  1.0
assign (resid 66  and name HB1   ) (resid   69  and name HG1#  )   4.0   2.2  1.0
assign (resid 66  and name HB2   ) (resid   69  and name HG1#  )   4.0   2.2  1.0
assign (resid 66  and name HB1   ) (resid   69  and name HG2#  )   4.0   2.2  1.0
assign (resid 66  and name HB2   ) (resid   69  and name HG2#  )   4.0   2.2  1.0
assign (resid 66  and name HG#   ) (resid   69  and name HB  )   5.0   3.2  1.0
assign (resid 66  and name HG#   ) (resid   69  and name HG1#  )   4.0   2.2  1.0
assign (resid 66  and name HG#   ) (resid   69  and name HG2#  )   4.0   2.2  1.0
!E67
!S68
!V69
assign (resid 69  and name HA    ) (resid   70  and name HN  )   3.0   1.2  1.0
assign (resid 69  and name HB    ) (resid   70  and name HN  )   4.0   2.2  1.0
assign (resid 69  and name HG2#  ) (resid   70  and name HN  )   4.0   2.2  1.0
assign (resid 69  and name HA    ) (resid   71  and name HN  )   4.0   2.2  1.0
assign (resid 69  and name HB    ) (resid   71  and name HN  )   4.0   2.2  1.0
assign (resid 69  and name HB    ) (resid   71  and name HA#  )   5.0   3.2  1.0
assign (resid 69  and name HG2#  ) (resid   71  and name HN  )   4.0   2.2  1.0
assign (resid 69  and name HG2#  ) (resid   71  and name HA#  )   4.0   2.2  1.0
!C70
assign (resid 70  and name HN    ) (resid   71  and name HN  )   4.0   2.2  1.0
assign (resid 70  and name HA    ) (resid   71  and name HN  )   3.0   1.2  1.0
assign (resid 70  and name HA    ) (resid   71  and name HA#  )   4.0   2.2  1.0
assign (resid 70  and name HA    ) (resid   72  and name HN  )   4.0   2.2  1.0
assign (resid 70  and name HN    ) (resid   98  and name HG2#  )   4.0   2.2  1.0
assign (resid   70  and name HA    ) (resid   97  and name HB    )   4.0   2.2   1.0
assign (resid   70  and name HB#   ) (resid   97  and name HB    )   4.0   2.2   1.0
assign (resid 70  and name HA    ) (resid   99  and name HN  )   5.0   3.2  1.0
assign (resid 70  and name HA    ) (resid   98  and name HG2#  )   4.0   2.2  1.0
assign (resid 70  and name HB#   ) (resid   97  and name HN  )   4.0   2.2  1.0
assign (resid 70  and name HB#   ) (resid   97  and name HG2#  )   4.0   2.2  1.0
assign (resid 70  and name HB#   ) (resid   98  and name HN  )   4.0   2.2  1.0
assign (resid 70  and name HB#   ) (resid   99  and name HN  )   4.0   2.2  1.0
!G71
assign (resid 71  and name HN    ) (resid   72  and name HN  )   4.0   2.2  1.0
assign (resid 71  and name HA1   ) (resid   72  and name HN  )   4.0   2.2  1.0
assign (resid 71  and name HA2   ) (resid   72  and name HN  )   4.0   2.2  1.0
assign (resid 71  and name HA#   ) (resid   72  and name HA  )   4.0   2.2  1.0
assign (resid 71  and name HA#   ) (resid   72  and name HB#  )   4.0   2.2  1.0
assign (resid 71  and name HN    ) (resid   73  and name HN  )   5.0   3.2  1.0
assign (resid 71  and name HN    ) (resid   97  and name HA  )   5.0   3.2  1.0
!Y72
assign (resid 72  and name HA    ) (resid   73  and name HN  )   2.5   0.7  0.2
assign (resid 72  and name HB#   ) (resid   73  and name HN  )   4.0   2.2  1.0
assign (resid 72  and name HD#   ) (resid   73  and name HN  )   4.0   2.2  1.0
assign (resid 72  and name HA    ) (resid   74  and name HB1  )   5.0   3.2  1.0
assign (resid 72  and name HA    ) (resid   74  and name HB2  )   5.0   3.2  1.0
assign (resid 72  and name HD#   ) (resid   74  and name HN  )   4.0   2.2  1.0
assign (resid 72  and name HD#   ) (resid   74  and name HB1  )   4.0   2.2  1.0
assign (resid 72  and name HE#   ) (resid   74  and name HB1  )   4.0   2.2  1.0
assign (resid 72  and name HE#   ) (resid   74  and name HB2  )   4.0   2.2  1.0
assign (resid 72  and name HE#   ) (resid   74  and name HA  )   4.0   2.2  1.0
assign (resid 72  and name HE#   ) (resid   74  and name HN  )   4.0   2.2  1.0
assign (resid 72  and name HN    ) (resid   96  and name HG1#  )   5.0   3.2  1.0
assign (resid 72  and name HN    ) (resid   97  and name HA  )   4.0   2.2  1.0
assign (resid 72  and name HN    ) (resid   97  and name HG2#  )   5.0   3.2  1.0
assign (resid 72  and name HN    ) (resid   98  and name HG2#  )   4.0   2.2  1.0
assign (resid 72  and name HA    ) (resid   96  and name HG1#  )   5.0   3.2  1.0
assign (resid 72  and name HA    ) (resid   98  and name HG2#  )   4.0   2.2  1.0
assign (resid 72  and name HB#   ) (resid   96  and name HD1#  )   4.0   2.2  1.0
assign (resid   72  and name HB#   ) (resid   98  and name HN    )   4.0   2.2   1.0
assign (resid 72  and name HB#   ) (resid   98  and name HG2#  )   4.0   2.2  1.0
assign (resid 72  and name HD#   ) (resid   96  and name HD1#  )   4.0   2.2  1.0
assign (resid 72  and name HD#   ) (resid   98  and name HA    )   4.0   2.2  1.0
assign (resid 72  and name HD#   ) (resid   98  and name HG2#  )   4.0   2.2  1.0
assign (resid 72  and name HE#   ) (resid   96  and name HD1#  )   4.0   2.2  1.0
assign (resid 72  and name HE#   ) (resid   97  and name HA  )   5.0   3.2  1.0
assign (resid 72  and name HE#   ) (resid  102  and name HB  )   4.0   2.2  1.0
assign (resid 72  and name HE#   ) (resid  102  and name HG1#  )   4.0   2.2  1.0
!F73
assign (resid 73  and name HN    ) (resid   74  and name HN  )   4.0   2.2  1.0
assign (resid 73  and name HA    ) (resid   74  and name HN  )   2.2   0.4  0.5
assign (resid 73  and name HA    ) (resid   74  and name HB2  )   4.0   2.2  1.0
assign (resid 73  and name HB#   ) (resid   74  and name HN  )   4.0   2.2  1.0
assign (resid 73  and name HD#   ) (resid   74  and name HN  )   4.0   2.2  1.0
assign (resid 73  and name HD#   ) (resid   75  and name HD#  )   4.0   2.2  1.0
assign (resid 73  and name HE#   ) (resid   75  and name HD#  )   4.0   2.2  1.0
assign (resid 73  and name HN    ) (resid   98  and name HG2#  )   4.0   2.2  1.0
!H74
assign (resid 74  and name HA    ) (resid   75  and name HN  )   2.2   0.4  0.5
assign (resid 74  and name HA    ) (resid   75  and name HG#  )   4.0   2.2  1.0
assign (resid 74  and name HA    ) (resid   75  and name HD#  )   5.0   3.2  1.0
assign (resid 74  and name HB1   ) (resid   75  and name HN  )   4.0   2.2  1.0
assign (resid 74  and name HB2   ) (resid   75  and name HN  )   4.0   2.2  1.0
assign (resid 74  and name HD2   ) (resid   75  and name HA  )   4.0   2.2  1.0
assign (resid 74  and name HA    ) (resid   76  and name HN  )   4.0   2.2  1.0
!R75
assign (resid 75  and name HN    ) (resid   76  and name HN  )   3.0   1.2  1.0
assign (resid 75  and name HA    ) (resid   76  and name HN  )   3.0   1.2  1.0
assign (resid 75  and name HB#   ) (resid   76  and name HN  )   4.0   2.2  1.0
assign (resid 75  and name HG#   ) (resid   76  and name HN  )   4.0   2.2  1.0
assign (resid 75  and name HD#   ) (resid   76  and name HA  )   5.0   3.2  1.0
!S76
assign (resid 76  and name HA    ) (resid   78  and name HN  )   4.0   2.2  1.0
assign (resid 76  and name HB1   ) (resid   83  and name HD#  )   4.0   2.2  1.0
assign (resid 76  and name HB2   ) (resid   83  and name HD#  )   4.0   2.2  1.0
assign (resid 76  and name HB1   ) (resid   83  and name HE#  )   4.0   2.2  1.0
assign (resid 76  and name HB2   ) (resid   83  and name HE#  )   4.0   2.2  1.0
!H77
assign (resid 77  and name HA    ) (resid   78  and name HN  )   3.0   1.2  1.0
assign (resid 77  and name HB#   ) (resid   78  and name HN  )   4.0   2.2  1.0
!N78
assign (resid 78  and name HA    ) (resid   79  and name HN  )   4.0   2.2  1.0
assign (resid 78  and name HB1   ) (resid   79  and name HN  )   4.0   2.2  1.0
assign (resid 78  and name HB2   ) (resid   79  and name HN  )   4.0   2.2  1.0
assign (resid 78  and name HN    ) (resid   80  and name HN  )   5.0   3.2  1.0
assign (resid 78  and name HA    ) (resid   80  and name HN  )   4.0   2.2  1.0
assign (resid 78  and name HB#   ) (resid   80  and name HN  )   4.0   2.2  1.0
assign (resid 78  and name HB1   ) (resid   81  and name HB#  )   4.0   2.2   1.0
assign (resid 78  and name HB2   ) (resid   81  and name HB#  )   4.0   2.2  1.0
assign (resid 78  and name HB1   ) (resid   81  and name HG#  )   4.0   2.2   1.0
assign (resid 78  and name HB2   ) (resid   81  and name HG#  )   4.0   2.2  1.0
assign (resid 78  and name HB#   ) (resid   81  and name HN  )   4.0   2.2  1.0
assign (resid 78  and name HD2#  ) (resid   81  and name HB#  )   4.0   2.2  1.0
!R79
assign (resid 79  and name HN    ) (resid   80  and name HN  )   3.0   1.2  1.0
assign (resid 79  and name HA    ) (resid   80  and name HN  )   3.0   1.2  1.0
assign (resid 79  and name HB1   ) (resid   80  and name HN  )   4.0   2.2  1.0
assign (resid 79  and name HB2   ) (resid   80  and name HN  )   4.0   2.2  1.0
assign (resid 79  and name HG#   ) (resid   80  and name HN  )   4.0   2.2  1.0
assign (resid 79  and name HN    ) (resid   81  and name HN  )   4.0   2.2  1.0
!S80
assign (resid 80  and name HN    ) (resid   81  and name HN  )   2.5   0.7  0.5
assign (resid 80  and name HA    ) (resid   81  and name HN  )   3.0   1.2  1.0
assign (resid 80  and name HB#   ) (resid   81  and name HN  )   4.0   2.2  1.0
assign (resid 80  and name HB#   ) (resid   81  and name HB#   )   4.0   2.2  1.0
!E81
assign (resid 81  and name HN    ) (resid   82  and name HN  )   4.0   2.2  1.0
assign (resid 81  and name HA    ) (resid   82  and name HN  )   2.5   0.7  0.2
assign (resid 81  and name HB#   ) (resid   82  and name HN  )   4.0   2.2  1.0
assign (resid 81  and name HB1   ) (resid   83  and name HE#  )   4.0   2.2  1.0
assign (resid 81  and name HB2   ) (resid   83  and name HE#  )   4.0   2.2  1.0
assign (resid 81  and name HG#   ) (resid   83  and name HD#  )   4.0   2.2  1.0
assign (resid 81  and name HG#   ) (resid   83  and name HE#  )   4.0   2.2  1.0
assign (resid 81  and name HG#   ) (resid  104  and name HB#  )   4.0   2.2  1.0
assign (resid 81  and name HG#   ) (resid  104  and name HA   )   5.0   3.2  1.0
!E82
assign (resid 82  and name HN    ) (resid   83  and name HN  )   4.0   2.2  1.0
assign (resid 82  and name HA    ) (resid   83  and name HN  )   2.5   0.7  0.2
assign (resid 82  and name HB#   ) (resid   83  and name HN  )   4.0   2.2  1.0
assign (resid 82  and name HB#   ) (resid   83  and name HB#  )   5.0   3.2  1.0
assign (resid 82  and name HG#   ) (resid   83  and name HN  )   4.0   2.2  1.0
assign (resid 82  and name HB#   ) (resid  105  and name HB#  )   4.0   2.2  1.0
!F83
assign (resid 83  and name HA    ) (resid   84  and name HN  )   2.5   0.7  0.2
assign (resid 83  and name HB#   ) (resid   84  and name HN  )   4.0   2.2  1.0
assign (resid 83  and name HD#   ) (resid   84  and name HN  )   4.0   2.2  1.0
assign (resid 83  and name HB#   ) (resid   85  and name HG1#  )   4.0   2.2  1.0
assign (resid 83  and name HB#   ) (resid  102  and name HG1#  )   4.0   2.2  1.0
assign (resid 83  and name HD#   ) (resid  102  and name HG1#  )   4.0   2.2  1.0
assign (resid 83  and name HE#   ) (resid  102  and name HG1#  )   4.0   2.2  1.0
assign (resid 83  and name HA    ) (resid  104  and name HA  )   2.5   0.7  0.5
assign (resid 83  and name HA    ) (resid  105  and name HN  )   3.0   1.2  1.0
assign (resid 83  and name HD#   ) (resid  104  and name HG#  )   4.0   2.2  1.0
!L84
assign (resid 84  and name HN    ) (resid   85  and name HN  )   4.0   2.2  1.0
assign (resid 84  and name HA    ) (resid   85  and name HN  )   2.5   0.7  0.2
assign (resid 84  and name HB#   ) (resid   85  and name HN  )   4.0   2.2  1.0
assign (resid 84  and name HG    ) (resid   85  and name HN  )   4.0   2.2  1.0
assign (resid 84  and name HD1#  ) (resid   85  and name HN  )   4.0   2.2  1.0
assign (resid 84  and name HD1#  ) (resid   85  and name HG1#  )   4.0   2.2  1.0
assign (resid 84  and name HD2#  ) (resid   85  and name HN  )   4.0   2.2  1.0
assign (resid 84  and name HD1#  ) (resid   86  and name HN  )   4.0   2.2  1.0
assign (resid 84  and name HD2#  ) (resid   86  and name HN  )   4.0   2.2  1.0
assign (resid 84  and name HD1#  ) (resid   86  and name HB#  )   4.0   2.2  1.0
assign (resid 84  and name HN    ) (resid  103  and name HN  )   3.0   1.2  1.0
assign (resid 84  and name HN    ) (resid  103  and name HB#  )   4.0   2.2  1.0
assign (resid 84  and name HN    ) (resid  104  and name HA  )   3.0   1.2  1.0
assign (resid 84  and name HN    ) (resid  105  and name HN  )   4.0   2.2  1.0
assign (resid 84  and name HB#   ) (resid  103  and name HN  )   4.0   2.2  1.0
assign (resid 84  and name HB#   ) (resid  105  and name HE3  )   4.0   2.2  1.0
assign (resid 84  and name HB#   ) (resid  105  and name HZ3  )   4.0   2.2  1.0
assign (resid 84  and name HB#   ) (resid  108  and name HD1#  )   4.0   2.2  1.0
assign (resid 84  and name HB#   ) (resid  108  and name HD2#  )   4.0   2.2  1.0
assign (resid 84  and name HG    ) (resid  105  and name HZ3  )   4.0   2.2  1.0
assign (resid 84  and name HD1#  ) (resid  101  and name HD#  )   4.0   2.2  1.0
assign (resid 84  and name HD1#  ) (resid  105  and name HE3  )   4.0   2.2  1.0
assign (resid 84  and name HD2#  ) (resid  101  and name HD#  )   4.0   2.2  1.0
assign (resid 84  and name HD2#  ) (resid  105  and name HE3  )   4.0   2.2  1.0
assign (resid 84  and name HD1#  ) (resid  116  and name HB#  )   4.0   2.2  1.0
assign (resid 84  and name HD2#  ) (resid  116  and name HB#  )   4.0   2.2  1.0
assign (resid 84  and name HD1#  ) (resid  116  and name HD#  )   4.0   2.2  1.0
assign (resid 84  and name HD2#  ) (resid  116  and name HD#  )   4.0   2.2  1.0
assign (resid 84  and name HD1#  ) (resid  116  and name HE#  )   4.0   2.2  1.0
assign (resid 84  and name HD2#  ) (resid  116  and name HE#  )   4.0   2.2  1.0
assign (resid 84  and name HD1#  ) (resid  116  and name HZ  )   4.0   2.2  1.0
assign (resid 84  and name HD2#  ) (resid  116  and name HZ  )   4.0   2.2  1.0
!I85
assign (resid 85  and name HN    ) (resid   86  and name HN  )   4.0   2.2  1.0
assign (resid 85  and name HA    ) (resid   86  and name HN  )   2.5   0.7  0.2
assign (resid 85  and name HB    ) (resid   86  and name HN  )   4.0   2.2  1.0
assign (resid 85  and name HG1#  ) (resid   86  and name HN  )   4.0   2.2  1.0
assign (resid 85  and name HD1#  ) (resid   86  and name HN  )   5.0   3.2  1.0
assign (resid 85  and name HG2#  ) (resid   86  and name HN  )   4.0   2.2  1.0
assign (resid 85  and name HG2#  ) (resid   87  and name HN  )   4.0   2.2  1.0
assign (resid 85  and name HA    ) (resid  102  and name HA  )   3.0   1.2  1.0
assign (resid 85  and name HA    ) (resid  102  and name HG2#  )   4.0   2.2  1.0
assign (resid 85  and name HA    ) (resid  103  and name HN  )   3.0   1.2  1.0
assign (resid 85  and name HG1#  ) (resid  102  and name HG1#  )   4.0   2.2  1.0
assign (resid 85  and name HG1#  ) (resid  102  and name HG2#  )   4.0   2.2  1.0
assign (resid 85  and name HD1#  ) (resid   94  and name HD2#   )   4.0   2.2  1.0
assign (resid 85  and name HG2#  ) (resid   96  and name HA  )   4.0   2.2  1.0
assign (resid 85  and name HG2#  ) (resid   96  and name HB  )   4.0   2.2  1.0
assign (resid 85  and name HG2#  ) (resid   96  and name HD1#  )   4.0   2.2  1.0
!A86
assign (resid 86  and name HA    ) (resid   87  and name HN  )   2.5   0.7  0.2
assign (resid 86  and name HB#   ) (resid   87  and name HN  )   4.0   2.2  1.0
assign (resid 86  and name HN    ) (resid  102  and name HA  )   3.0   1.2  1.0
assign (resid 86  and name HN    ) (resid  102  and name HG2#  )   4.0   2.2  1.0
assign (resid 86  and name HB#   ) (resid  101  and name HN  )   4.0   2.2  1.0
assign (resid 86  and name HB#   ) (resid  101  and name HA  )   4.0   2.2  1.0
assign (resid 86  and name HB#   ) (resid  101  and name HB1  )   4.0   2.2  1.0
assign (resid 86  and name HB#   ) (resid  101  and name HB2  )   4.0   2.2  1.0
assign (resid 86  and name HB#   ) (resid  101  and name HD#  )   4.0   2.2  1.0
assign (resid 86  and name HB#   ) (resid  101  and name HE#  )   4.0   2.2  1.0
assign (resid   86  and name HB#   ) (resid  102  and name HN    )   4.0   2.2   1.0
!G87
assign (resid 87  and name HA#   ) (resid   88  and name HN  )   2.5   0.7  0.2
assign (resid 87  and name HN    ) (resid   96  and name HG2#  )   4.0   2.2  1.0
assign (resid 87  and name HA1   ) (resid   94  and name HD1#  )   4.0   2.2  1.0
assign (resid 87  and name HA2   ) (resid   94  and name HD1#  )   4.0   2.2  1.0
assign (resid 87  and name HA#   ) (resid   96  and name HG2#  )   4.0   2.2  1.0
!K88
assign (resid 88  and name HA    ) (resid   89  and name HN  )   2.5   0.7  0.2
assign (resid 88  and name HB#   ) (resid   89  and name HN  )   4.0   2.2  1.0
assign (resid 88  and name HG#   ) (resid   89  and name HN  )   4.0   2.2  1.0
assign (resid 88  and name HE#   ) (resid   89  and name HN  )   5.0   3.2  1.0
assign (resid 88  and name HN    ) (resid   94  and name HD1#  )   4.0   2.2  1.0
assign (resid 88  and name HN    ) (resid   95  and name HN  )   3.0   1.2  1.0
assign (resid 88  and name HN    ) (resid   95  and name HB#  )   4.0   2.2  1.0
assign (resid 88  and name HB#   ) (resid   95  and name HN  )   4.0   2.2  1.0
!L89
assign (resid 89  and name HN    ) (resid   90  and name HN  )   4.0   2.2  1.0
assign (resid 89  and name HA    ) (resid   90  and name HN  )   2.5   0.7  0.2
assign (resid 89  and name HB#   ) (resid   90  and name HN  )   4.0   2.2  1.0
assign (resid 89  and name HG    ) (resid   90  and name HN  )   4.0   2.2  1.0
assign (resid 89  and name HD1#  ) (resid   90  and name HN  )   4.0   2.2  1.0
assign (resid 89  and name HD2#  ) (resid   90  and name HN  )   4.0   2.2  1.0
assign (resid 89  and name HA    ) (resid   91  and name HN  )   5.0   3.2  1.0
assign (resid 89  and name HA    ) (resid   93  and name HN  )   5.0   3.2  1.0
assign (resid 89  and name HB1   ) (resid   92  and name HN  )   4.0   2.2  1.0
assign (resid 89  and name HB2   ) (resid   92  and name HN  )   4.0   2.2  1.0
assign (resid 89  and name HD2#  ) (resid   91  and name HN  )   5.0   3.2  1.0
assign (resid 89  and name HD2#  ) (resid   92  and name HN  )   4.0   2.2  1.0
assign (resid 89  and name HD1#  ) (resid   92  and name HA1  )   4.0   2.2  1.0
assign (resid 89  and name HD1#  ) (resid   92  and name HA2  )   4.0   2.2  1.0
assign (resid 89  and name HD2#  ) (resid   92  and name HA1  )   4.0   2.2  1.0
assign (resid 89  and name HD2#  ) (resid   92  and name HA2  )   4.0   2.2  1.0
assign (resid 89  and name HD1#  ) (resid   93  and name HN  )   4.0   2.2  1.0
assign (resid 89  and name HD2#  ) (resid   93  and name HN  )   4.0   2.2  1.0
assign (resid 89  and name HN    ) (resid   94  and name HD1#  )   4.0   2.2  1.0
assign (resid 89  and name HA    ) (resid   95  and name HN  )   3.0   1.2  1.0
assign (resid 89  and name HG    ) (resid   94  and name HD1#  )   4.0   2.2  1.0
assign (resid 89  and name HD2#  ) (resid   94  and name HA  )   4.0   2.2  1.0
!Q90 
assign (resid 90  and name HN    ) (resid   91  and name HN  )   4.0   2.2  1.0
assign (resid 90  and name HA    ) (resid   91  and name HN  )   2.5   0.7  0.2
assign (resid 90  and name HB#   ) (resid   91  and name HN  )   4.0   2.2  1.0
assign (resid 90  and name HG#   ) (resid   91  and name HN  )   4.0   2.2  1.0
assign (resid 90  and name HN    ) (resid   92  and name HN  )   4.0   2.2  1.0
assign (resid 90  and name HN    ) (resid   93  and name HN  )   3.0   1.2  1.0
assign (resid 90  and name HN    ) (resid   94  and name HA  )   3.0   1.2  1.0
assign (resid 90  and name HA    ) (resid   92  and name HN  )   4.0   2.2  1.0
assign (resid 90  and name HA    ) (resid   93  and name HN  )   4.0   2.2  1.0
assign (resid 90  and name HN    ) (resid   95  and name HN  )   5.0   3.2  1.0
assign (resid 90  and name HN    ) (resid   95  and name HD2  )   4.0   2.2  1.0
assign (resid 90  and name HB#   ) (resid   95  and name HD2  )   4.0   2.2  1.0
!D91
assign (resid 91  and name HN    ) (resid   92  and name HN  )   3.0   1.2  1.0
assign (resid 91  and name HA    ) (resid   92  and name HN  )   2.5   0.7  0.5
assign (resid 91  and name HB1   ) (resid   92  and name HN  )   4.0   2.2  1.0
assign (resid 91  and name HB2   ) (resid   92  and name HN  )   4.0   2.2  1.0
assign (resid 91  and name HA    ) (resid   93  and name HN  )   5.0   3.2  1.0
assign (resid 91  and name HB2   ) (resid   93  and name HN  )   4.0   2.2  1.0
!G92
assign (resid 92  and name HN    ) (resid   93  and name HN  )   3.0   1.2  1.0
assign (resid 92  and name HA#   ) (resid   93  and name HN  )   3.0   1.2  1.0
assign (resid 92  and name HA1   ) (resid   93  and name HD2#  )   4.0   2.2  1.0
assign (resid 92  and name HA2   ) (resid   93  and name HD2#  )   4.0   2.2  1.0
!L93
assign (resid 93  and name HN    ) (resid   94  and name HN  )   4.0   2.2  1.0
assign (resid 93  and name HA    ) (resid   94  and name HN  )   2.5   0.7  0.2
assign (resid 93  and name HA    ) (resid   94  and name HB#  )   4.0   2.2  1.0
assign (resid 93  and name HB2   ) (resid   94  and name HN  )   4.0   2.2  1.0
assign (resid 93  and name HG    ) (resid   94  and name HN  )   4.0   2.2  1.0
assign (resid 93  and name HD2#  ) (resid   94  and name HN  )   4.0   2.2  1.0
assign (resid 93  and name HN    ) (resid   95  and name HD2  )   4.0   2.2  1.0
!L94
assign (resid 94  and name HN    ) (resid   95  and name HN  )   4.0   2.2  1.0
assign (resid 94  and name HA    ) (resid   95  and name HN  )   2.5   0.7  0.2
assign (resid 94  and name HB#   ) (resid   95  and name HN  )   4.0   2.2  1.0
assign (resid 94  and name HG    ) (resid   95  and name HN  )   4.0   2.2  1.0
assign (resid 94  and name HD1#  ) (resid   95  and name HN  )   4.0   2.2  1.0
!H95
assign (resid 95  and name HA    ) (resid   96  and name HN  )   2.5   0.7  0.2
assign (resid 95  and name HA    ) (resid   96  and name HD1#  )   2.5   0.7  0.2
assign (resid 95  and name HB#   ) (resid   96  and name HN  )   4.0   2.2  1.0
!I96
assign (resid   96  and name HN    ) (resid   97  and name HN    )   4.0   2.2   1.0
assign (resid 96  and name HA    ) (resid   97  and name HN  )   2.5   0.7  0.5
assign (resid 96  and name HB    ) (resid   97  and name HN  )   4.0   2.2  1.0
assign (resid 96  and name HG1#  ) (resid   97  and name HN  )   4.0   2.2  1.0
assign (resid 96  and name HG2#  ) (resid   97  and name HN  )   4.0   2.2  1.0
assign (resid   96  and name HD1#  ) (resid   97  and name HN    )   4.0   2.2   1.0
assign (resid 96  and name HB    ) (resid  102  and name HG2#  )   4.0   2.2   1.0
assign (resid 96  and name HD1#  ) (resid  102  and name HG1#  )   4.0   2.2  1.0
assign (resid 96  and name HD1#  ) (resid  102  and name HG2#  )   4.0   2.2  1.0
!T97
assign (resid 97  and name HA    ) (resid   98  and name HN  )   3.0   1.2  1.0
assign (resid 97  and name HB    ) (resid   98  and name HN  )   4.0   2.2  1.0
assign (resid 97  and name HB    ) (resid   98  and name HG2#  )   4.0   2.2  1.0
assign (resid   97  and name HG2#  ) (resid   98  and name HN    )   4.0   2.2   1.0
assign (resid 97  and name HB    ) (resid  100  and name HB#   )   4.0   2.2  1.0
assign (resid   97  and name HN    ) (resid  100  and name HN    )   4.0   2.2   1.0
assign (resid 97  and name HN    ) (resid  100  and name HB#  )   4.0   2.2  1.0
assign (resid 97  and name HA    ) (resid   99  and name HN  )   4.0   2.2  1.0
assign (resid 97  and name HB    ) (resid   99  and name HN  )   4.0   2.2  1.0
assign (resid   97  and name HB    ) (resid  100  and name HN    )   5.0   3.2   1.0
assign (resid 97  and name HG2#  ) (resid   99  and name HN  )   4.0   2.2  1.0
!T98
assign (resid 98  and name HN    ) (resid   99  and name HN  )   3.0   1.2  1.0
assign (resid 98  and name HG2#  ) (resid   99  and name HN  )   4.0   2.2  1.0
assign (resid 98  and name HN    ) (resid  100  and name HB#  )   4.0   2.2  1.0
assign (resid 98  and name HA    ) (resid  100  and name HN  )   4.0   2.2  1.0
assign (resid 98  and name HG2#  ) (resid  100  and name HN  )   4.0   2.2  1.0
!C99
assign (resid 99  and name HN    ) (resid  100  and name HN  )   2.5   0.7  0.5
assign (resid 99  and name HA    ) (resid  100  and name HN  )   2.5   0.7  0.5
assign (resid 99  and name HB1   ) (resid  100  and name HN  )   4.0   2.2  1.0
assign (resid 99  and name HB2   ) (resid  100  and name HN  )   4.0   2.2  1.0
!S100
assign (resid  100  and name HA    ) (resid  101  and name HN  )   2.5   0.7  0.2
assign (resid  100  and name HA    ) (resid  101  and name HB2  )   4.0   2.2  1.0
assign (resid  100  and name HB#   ) (resid  101  and name HN  )   4.0   2.2  1.0
assign (resid  100  and name HN    ) (resid  102  and name HG2#  )   4.0   2.2  1.0
assign (resid  100  and name HB#   ) (resid  102  and name HG1#  )   4.0   2.2  1.0
assign (resid  100  and name HB#   ) (resid  102  and name HG2#  )   4.0   2.2  1.0
!F101
assign (resid  101  and name HN    ) (resid  102  and name HN    )   4.0   2.2   1.0
assign (resid  101  and name HA    ) (resid  102  and name HN  )   2.5   0.7  0.2
assign (resid  101  and name HB2   ) (resid  102  and name HN  )   4.0   2.2  1.0
assign (resid  101  and name HD#   ) (resid  103  and name HN    )   4.0   2.2   1.0
assign (resid  101  and name HD#   ) (resid  103  and name HB#  )   4.0   2.2  1.0
assign (resid  101  and name HD#   ) (resid  108  and name HD1#  )   5.0   3.2  1.0
assign (resid  101  and name HD#   ) (resid  116  and name HZ   )   4.0   2.2  1.0
assign (resid  101  and name HB#   ) (resid  116  and name HZ   )   4.0   2.2  1.0
!V102
assign (resid  102  and name HN    ) (resid  103  and name HN  )   4.0   2.2  1.0
assign (resid  102  and name HA    ) (resid  103  and name HN  )   2.5   0.7   0.2
assign (resid  102  and name HB    ) (resid  103  and name HN    )   4.0   2.2   1.0
assign (resid  102  and name HG1#  ) (resid  103  and name HN  )   4.0   2.2  1.0
!A103
assign (resid  103  and name HN    ) (resid  104  and name HD#   )   4.0   2.2   1.0
assign (resid  103  and name HA    ) (resid  104  and name HD#  )   2.5   0.7  0.2
assign (resid  103  and name HB#   ) (resid  104  and name HB#  )   4.0   2.2  1.0
assign (resid  103  and name HB#   ) (resid  104  and name HD#  )   4.0   2.2  1.0
!P104
assign (resid  104  and name HA    ) (resid  105  and name HN  )   3.0   1.2  1.0
assign (resid  104  and name HB#   ) (resid  105  and name HN  )   4.0   2.2  1.0
assign (resid  104  and name HG#   ) (resid  105  and name HN    )   4.0   2.2   1.0
assign (resid  104  and name HA    ) (resid  106  and name HN  )   4.0   2.2  1.0
assign (resid  104  and name HA    ) (resid  106  and name HA  )   5.0   3.2  1.0
assign (resid  104  and name HB#   ) (resid  106  and name HN  )   4.0   2.2  1.0
assign (resid  104  and name HB1   ) (resid  106  and name HA  )   4.0   2.2  1.0
assign (resid  104  and name HB2   ) (resid  106  and name HA  )   4.0   2.2  1.0
assign (resid  104  and name HB#   ) (resid  107  and name HN  )   4.0   2.2  1.0
assign (resid  104  and name HB#   ) (resid  107  and name HA  )   4.0   2.2  1.0
assign (resid  104  and name HB#   ) (resid  107  and name HB#  )   4.0   2.2  1.0
assign (resid  104  and name HG#   ) (resid  107  and name HN    )   5.0   3.2   1.0
assign (resid  104 and name HG#   ) (resid  107  and name HB#  )   4.0   2.2  1.0
assign (resid  104  and name HD#   ) (resid  107  and name HA  )   5.0   3.2  1.0
assign (resid  104  and name HD#   ) (resid  107  and name HB#  )   4.0   2.2  1.0
!W105
assign (resid  105  and name HA    ) (resid  106  and name HN  )   3.0   1.2  1.0
assign (resid  105  and name HB#   ) (resid  106  and name HN    )   4.0   2.2   1.0
assign (resid  105  and name HB2   ) (resid  106  and name HA  )   4.0   2.2  1.0
assign (resid  105  and name HD1   ) (resid  106  and name HN    )   4.0   2.2   1.0
assign (resid  105  and name HE1   ) (resid  106  and name HN    )   5.0   3.2   1.0
assign (resid  105  and name HA    ) (resid  107  and name HN  )   4.0   2.2  1.0
assign (resid  105  and name HA    ) (resid  107  and name HB#  )   4.0   2.2  1.0
assign (resid  105  and name HA    ) (resid  108  and name HN  )   4.0   2.2  1.0
assign (resid  105  and name HA    ) (resid  108  and name HG  )   4.0   2.2  1.0
assign (resid  105  and name HA    ) (resid  108  and name HD1#  )   4.0   2.2  1.0
assign (resid  105  and name HE3   ) (resid  108  and name HD1#  )   5.0   3.2  1.0
assign (resid  105  and name HH2   ) (resid  108  and name HB1  )   5.0   3.2  1.0
assign (resid  105  and name HH2   ) (resid  108  and name HB2  )   5.0   3.2  1.0
assign (resid  105  and name HZ2   ) (resid  108  and name HD2#  )   4.0   2.2  1.0
assign (resid  105  and name HZ3   ) (resid  108  and name HD1#  )   5.0   3.2  1.0
assign (resid  105  and name HZ3   ) (resid  108  and name HD2#  )   4.0   2.2  1.0
assign (resid  105  and name HB1   ) (resid  113  and name HD#  )   4.0   2.2  1.0
assign (resid  105  and name HB2   ) (resid  113  and name HD#  )   4.0   2.2  1.0
assign (resid  105  and name HD1   ) (resid  113  and name HG#  )   4.0   2.2  1.0
assign (resid  105  and name HD1   ) (resid  113  and name HD#  )   4.0   2.2  1.0
assign (resid  105  and name HE1   ) (resid  113  and name HD#  )   4.0   2.2  1.0
assign (resid  105  and name HE3   ) (resid  113  and name HA  )   4.0   2.2  1.0
assign (resid  105  and name HE3   ) (resid  113  and name HD#  )   5.0   3.2  1.0
assign (resid  105  and name HH2   ) (resid  113  and name HA  )   4.0   2.2  1.0
assign (resid  105  and name HH2   ) (resid  113  and name HD#  )   4.0   2.2  1.0
assign (resid  105  and name HH2   ) (resid  116  and name HA  )   4.0   2.2  1.0
assign (resid  105  and name HH2   ) (resid  116  and name HB#  )   4.0   2.2  1.0
assign (resid  105  and name HH2   ) (resid  117  and name HN    )   4.0   2.2   1.0
assign (resid  105  and name HH2   ) (resid  117  and name HB  )   4.0   2.2  1.0
assign (resid  105  and name HH2   ) (resid  117  and name HG2#  )   4.0   2.2  1.0
assign (resid  105  and name HZ2   ) (resid  113  and name HA  )   4.0   2.2  1.0
assign (resid  105  and name HZ2   ) (resid  113  and name HB#  )   4.0   2.2  1.0
assign (resid  105  and name HZ2   ) (resid  113  and name HD#  )   4.0   2.2  1.0
assign (resid  105  and name HZ3   ) (resid  113  and name HA  )   4.0   2.2  1.0
assign (resid  105  and name HZ3   ) (resid  116  and name HA  )   4.0   2.2  1.0
assign (resid  105  and name HZ3   ) (resid  116  and name HB#  )   4.0   2.2  1.0
!N106
assign (resid  106  and name HN    ) (resid  107  and name HN  )   3.0   1.2  1.0
assign (resid  106  and name HA    ) (resid  107  and name HN    )   4.0   2.2   1.0
assign (resid  106  and name HB1   ) (resid  107  and name HN  )   4.0   2.2  1.0
assign (resid  106  and name HB2   ) (resid  107  and name HN  )   4.0   2.2  1.0
assign (resid  106  and name HN    ) (resid  108  and name HN    )   5.0   3.2   1.0
assign (resid  106  and name HA    ) (resid  108  and name HB1  )   5.0   3.2  1.0
assign (resid  106  and name HA    ) (resid  108  and name HD2#  )   5.0   3.2  1.0
!S107
assign (resid  107  and name HN    ) (resid  108  and name HN  )   2.5   0.7  0.5
assign (resid  107  and name HA    ) (resid  108  and name HN    )   4.0   2.2   1.0
assign (resid  107  and name HA    ) (resid  108  and name HB2  )   4.0   2.2  1.0
assign (resid  107  and name HB1   ) (resid  108  and name HN  )   4.0   2.2  1.0
assign (resid  107  and name HB2   ) (resid  108  and name HN  )   4.0   2.2  1.0
!L108
assign (resid  108  and name HN    ) (resid  109  and name HN    )   4.0   2.2   1.0
assign (resid  108  and name HA    ) (resid  109  and name HN  )   3.0   1.2  1.0
assign (resid  108  and name HB1   ) (resid  109  and name HN  )   4.0   2.2  1.0
assign (resid  108  and name HB2   ) (resid  109  and name HN  )   4.0   2.2  1.0
assign (resid  108  and name HG    ) (resid  109  and name HN    )   5.0   3.2   1.0
assign (resid  108  and name HD1#  ) (resid  109  and name HN  )   4.0   2.2  1.0
assign (resid  108  and name HD2#  ) (resid  109  and name HN  )   4.0   2.2  1.0
assign (resid  108  and name HN    ) (resid  113  and name HG#  )   5.0   3.2  1.0
assign (resid  108  and name HN    ) (resid  113  and name HD#  )   4.0   2.2  1.0
assign (resid  108  and name HB1   ) (resid  112  and name HB#  )   4.0   2.2  1.0
assign (resid  108  and name HB1   ) (resid  112  and name HG#  )   4.0   2.2  1.0
assign (resid  108  and name HB2   ) (resid  112  and name HG#  )   4.0   2.2  1.0
assign (resid  108  and name HG#   ) (resid  112  and name HB#  )   4.0   2.2  1.0
assign (resid  108  and name HD1#  ) (resid  112  and name HB#  )   4.0   2.2  1.0
assign (resid  108  and name HD1#  ) (resid  113  and name HG#  )   4.0   2.2  1.0
assign (resid  108  and name HD1#  ) (resid  116  and name HD#  )   4.0   2.2  1.0
assign (resid  108  and name HD1#  ) (resid  116  and name HE#   )   5.0   3.2  1.0
assign (resid  108  and name HD1#  ) (resid  116  and name HZ   )   5.0   3.2  1.0
assign (resid  108  and name HD2#  ) (resid  116  and name HZ   )   5.0   3.2  1.0
assign (resid  108  and name HB2#  ) (resid  113  and name HG#  )   4.0   2.2  1.0
assign (resid  108  and name HB2#  ) (resid  113  and name HD#  )   4.0   2.2  1.0
assign (resid  108  and name HD2#  ) (resid  112  and name HB#  )   4.0   2.2  1.0
assign (resid  108  and name HD2#  ) (resid  112  and name HG#  )   4.0   2.2  1.0
!S109
assign (resid  109  and name HN    ) (resid  110  and name HN  )   4.0   2.2  1.0
assign (resid  109  and name HA    ) (resid  110  and name HN  )   2.2   0.4  0.5
assign (resid  109  and name HA    ) (resid  110  and name HG  )   4.0   2.2  1.0
assign (resid  109  and name HB1   ) (resid  110  and name HN  )   3.0   1.2  1.0
assign (resid  109  and name HB2   ) (resid  110  and name HN  )   3.0   1.2  1.0
assign (resid  109  and name HN    ) (resid  111  and name HN  )   4.0   2.2  1.0
assign (resid  109  and name HN    ) (resid  112  and name HN    )   4.0   2.2   1.0
assign (resid  109  and name HN    ) (resid  112  and name HG#   )   3.0   1.2   1.0
assign (resid  109  and name HN    ) (resid  113  and name HB#   )   4.0   2.2   1.0
assign (resid  109  and name HN    ) (resid  113  and name HG#   )   5.0   3.2   1.0
assign (resid  109  and name HA    ) (resid  112  and name HN  )   3.0   1.2  1.0
assign (resid  109  and name HA    ) (resid  112  and name HB#  )   3.0   1.2  1.0
assign (resid  109  and name HA    ) (resid  113  and name HN  )   4.0   2.2  1.0
assign (resid  109  and name HB#   ) (resid  111  and name HN  )   4.0   2.2  1.0
assign (resid  109  and name HB2   ) (resid  111  and name HA  )   4.0   2.2  1.0
assign (resid  109  and name HB2   ) (resid  111  and name HB#  )   4.0   2.2  1.0
assign (resid  109  and name HB1   ) (resid  112  and name HN  )   4.0   2.2  1.0
assign (resid  109  and name HB2   ) (resid  112  and name HN  )   4.0   2.2  1.0
assign (resid  109  and name HB1   ) (resid  112  and name HB#  )   4.0   2.2  1.0
assign (resid  109  and name HB2   ) (resid  112  and name HB#  )   4.0   2.2  1.0
assign (resid  109  and name HB1   ) (resid  113  and name HN  )   4.0   2.2  1.0
assign (resid  109  and name HB2   ) (resid  113  and name HN  )   4.0   2.2  1.0
!L110
assign (resid  110  and name HN    ) (resid  111  and name HN  )   2.5   0.7  0.5
assign (resid  110  and name HA    ) (resid  111  and name HN  )   3.0   1.2  1.0
assign (resid  110  and name HB1   ) (resid  111  and name HN  )   3.0   1.2  1.0
assign (resid  110  and name HB2   ) (resid  111  and name HN  )   3.0   1.2  1.0
assign (resid  110  and name HB1   ) (resid  111  and name HB#  )   4.0   2.2  1.0
assign (resid  110  and name HB2   ) (resid  111  and name HB#  )   4.0   2.2  1.0
assign (resid  110  and name HG    ) (resid  111  and name HN    )   4.0   2.2   1.0
assign (resid  110  and name HG    ) (resid  111  and name HA  )   4.0   2.2  1.0
assign (resid  110  and name HG    ) (resid  111  and name HB#  )   4.0   2.2  1.0
assign (resid  110  and name HD1#  ) (resid  111  and name HN  )   4.0   2.2  1.0
assign (resid  110  and name HD1#  ) (resid  111  and name HB#  )   4.0   2.2  1.0
assign (resid  110  and name HD2#  ) (resid  111  and name HN  )   4.0   2.2  1.0
assign (resid  110  and name HN    ) (resid  112  and name HN  )   4.0   2.2  1.0
assign (resid  110  and name HN    ) (resid  113  and name HD#   )   4.0   2.2   1.0
assign (resid  110  and name HA    ) (resid  113  and name HN  )   3.0   1.2  1.0
assign (resid  110  and name HA    ) (resid  113  and name HA  )   4.0   2.2  1.0
assign (resid  110  and name HA    ) (resid  113  and name HB#  )   3.0   1.2  1.0
assign (resid  110  and name HA    ) (resid  113  and name HD#  )   4.0   2.2  1.0
assign (resid  110  and name HA    ) (resid  114  and name HN  )   4.0   2.2  1.0
assign (resid  110  and name HB#   ) (resid  112  and name HN  )   4.0   2.2  1.0
assign (resid  110  and name HB#   ) (resid  113  and name HD#  )   4.0   2.2  1.0
assign (resid  110  and name HD1#  ) (resid  113  and name HD#  )   4.0   2.2  1.0
assign (resid  110  and name HD2#  ) (resid  113  and name HN  )   4.0   2.2  1.0
assign (resid  110  and name HD2#  ) (resid  113  and name HD#  )   4.0   2.2  1.0
assign (resid  110  and name HD2#  ) (resid  114  and name HN  )   4.0   2.2  1.0
!A111
assign (resid  111  and name HN    ) (resid  112  and name HN  )   2.5   0.7  0.5
assign (resid  111  and name HA    ) (resid  112  and name HN  )   3.0   1.2  1.0
assign (resid  111  and name HB#   ) (resid  112  and name HN  )   3.0   1.2  1.0
assign (resid  111  and name HB#   ) (resid  112  and name HA  )   4.0   2.2  1.0
assign (resid  111  and name HB#   ) (resid  112  and name HB#  )   4.0   2.2  1.0
assign (resid  111  and name HB#   ) (resid  112  and name HG#  )   4.0   2.2  1.0
assign (resid  111  and name HN    ) (resid  113  and name HN  )   4.0   2.2  1.0
assign (resid  111  and name HA    ) (resid  113  and name HA  )   5.0   3.2  1.0
assign (resid  111  and name HA    ) (resid  114  and name HN  )   3.0   1.2  1.0
assign (resid  111  and name HA    ) (resid  114  and name HB#  )   3.0   1.2  1.0
assign (resid  111  and name HA    ) (resid  114  and name HG1  )   4.0   2.2  1.0
assign (resid  111  and name HA    ) (resid  114  and name HG2  )   4.0   2.2  1.0
assign (resid  111  and name HA    ) (resid  114  and name HD#  )   4.0   2.2  1.0
assign (resid  111  and name HA    ) (resid  115  and name HN  )   4.0   2.2  1.0
assign (resid  111  and name HB#   ) (resid  114  and name HB#  )   4.0   2.2  1.0
assign (resid  111  and name HB#   ) (resid  114  and name HG#  )   5.0   3.2  1.0
assign (resid  111  and name HB#   ) (resid  114  and name HD#  )   4.0   2.2  1.0
assign (resid  111  and name HB#   ) (resid  115  and name HN  )   4.0   2.2  1.0
assign (resid  111  and name HB#   ) (resid  115  and name HA#  )   4.0   2.2  1.0
!Q112
assign (resid  112  and name HN    ) (resid  113  and name HN  )   2.5   0.7  0.5
assign (resid  112  and name HA    ) (resid  113  and name HN  )   3.0   1.2  1.0
assign (resid  112  and name HA    ) (resid  113  and name HB#  )   4.0   2.2  1.0
assign (resid  112  and name HB#   ) (resid  113  and name HN  )   4.0   2.2  1.0
assign (resid  112  and name HG#   ) (resid  113  and name HN    )   4.0   2.2   1.0
assign (resid  112  and name HN    ) (resid  114  and name HN  )   4.0   2.2  1.0
assign (resid  112  and name HA    ) (resid  114  and name HN  )   4.0   2.2  1.0
assign (resid  112  and name HA    ) (resid  114  and name HA  )   5.0   3.2  1.0
assign (resid  112  and name HA    ) (resid  115  and name HN  )   3.0   1.2  1.0
assign (resid  112  and name HB#   ) (resid  115  and name HA#  )   4.0   2.2  1.0
assign (resid  112  and name HN    ) (resid  120  and name HE#  )   5.0   3.2  1.0
!R113
assign (resid  113  and name HN    ) (resid  114  and name HN  )   2.5   0.7  0.5
assign (resid  113  and name HA    ) (resid  114  and name HN  )   3.0   1.2  1.0
assign (resid  113  and name HB#   ) (resid  114  and name HN  )   3.0   1.2  1.0
assign (resid  113  and name HD#   ) (resid  114  and name HN  )   4.0   2.2  1.0
assign (resid  113  and name HN    ) (resid  115  and name HN  )   4.0   2.2  1.0
assign (resid  113  and name HN    ) (resid  116  and name HD#  )   4.0   2.2  1.0
assign (resid  113  and name HA    ) (resid  115  and name HN  )   4.0   2.2  1.0
assign (resid  113  and name HA    ) (resid  116  and name HN  )   3.0   1.2  1.0
assign (resid  113  and name HA    ) (resid  116  and name HB#  )   3.0   1.2  1.0
assign (resid  113  and name HA    ) (resid  116  and name HD#  )   4.0   2.2  1.0
assign (resid  113  and name HA    ) (resid  117  and name HN  )   4.0   2.2  1.0
assign (resid  113  and name HA    ) (resid  117  and name HB  )   4.0   2.2  1.0
!R114
assign (resid  114  and name HN    ) (resid  115  and name HN  )   2.5   0.7  0.5
assign (resid  114  and name HA    ) (resid  115  and name HN  )   3.0   1.2  1.0
assign (resid  114  and name HB#   ) (resid  115  and name HN  )   3.0   1.2  1.0
assign (resid  114  and name HG#   ) (resid  115  and name HN  )   4.0   2.2  1.0
assign (resid  114  and name HN    ) (resid  116  and name HN  )   4.0   2.2   1.0
assign (resid  114  and name HA    ) (resid  117  and name HN  )   3.0   1.2  1.0
assign (resid  114  and name HA    ) (resid  117  and name HB  )   3.0   1.2  1.0
assign (resid  114  and name HA    ) (resid  118  and name HN  )   4.0   2.2  1.0
assign (resid  114  and name HA    ) (resid  118  and name HB#  )   4.0   2.2  1.0
assign (resid  114  and name HB#   ) (resid  116  and name HN    )   4.0   2.2   1.0
assign (resid  114  and name HB#   ) (resid  117  and name HN    )   4.0   2.2   1.0
assign (resid  114  and name HB#   ) (resid  117  and name HB  )   4.0   2.2  1.0
assign (resid  114  and name HB#   ) (resid  119  and name HG2#  )   4.0   2.2  1.0
assign (resid  114  and name HG#   ) (resid  117  and name HG2#  )   4.0   2.2  1.0
assign (resid  114  and name HD#   ) (resid  117  and name HA  )   5.0   3.2  1.0
assign (resid  114  and name HD#   ) (resid  117  and name HG2#  )   4.0   2.2  1.0
assign (resid  114  and name HD#   ) (resid  119  and name HG2#  )   4.0   2.2  1.0
!G115
assign (resid  115  and name HN    ) (resid  116  and name HN  )   2.5   0.7  0.5
assign (resid  115  and name HA#   ) (resid  116  and name HN  )   3.0   1.2  1.0
assign (resid  115  and name HN    ) (resid  117  and name HN  )   4.0   2.2  1.0
assign (resid  115  and name HN    ) (resid  118  and name HG#  )   4.0   2.2  1.0
assign (resid  115  and name HN    ) (resid  118  and name HE#  )   4.0   2.2  1.0
assign (resid  115  and name HN    ) (resid  119  and name HG2#  )   5.0   3.2   1.0
assign (resid  115  and name HA#   ) (resid  118  and name HN  )   3.0   1.2  1.0
assign (resid  115  and name HA#   ) (resid  118  and name HB#  )   3.0   1.2  1.0
assign (resid  115  and name HA#   ) (resid  118  and name HG#  )   4.0   2.2  1.0
assign (resid  115  and name HA#   ) (resid  119  and name HN  )   4.0   2.2  1.0
assign (resid  115  and name HA#   ) (resid  119  and name HA  )   4.0   2.2  1.0
assign (resid  115  and name HA#   ) (resid  119  and name HB  )   4.0   2.2  1.0
assign (resid  115  and name HA#   ) (resid  119  and name HG2#  )   4.0   2.2  1.0
assign (resid  115  and name HA#   ) (resid  120  and name HN    )   4.0   2.2   1.0
!F116
assign (resid  116  and name HN    ) (resid  117  and name HN  )   2.5   0.7  0.5
assign (resid  116  and name HA    ) (resid  117  and name HN  )   3.0   1.2  1.0
assign (resid  116  and name HB#   ) (resid  117  and name HN  )   3.0   1.2  1.0
assign (resid  116  and name HB#   ) (resid  117  and name HG2#  )   4.0   2.2  1.0
assign (resid  116  and name HD#   ) (resid  117  and name HN  )   4.0   2.2  1.0
assign (resid  116  and name HN    ) (resid  118  and name HN  )   4.0   2.2  1.0
assign (resid  116  and name HN    ) (resid  118  and name HG#   )   5.0   3.2   1.0
assign (resid  116  and name HN    ) (resid  120  and name HN    )   4.0   2.2   1.0
assign (resid  116  and name HA    ) (resid  120  and name HD#   )   4.0   2.2   1.0
assign (resid  116  and name HB#   ) (resid  120  and name HD#   )   4.0   2.2   1.0
assign (resid  116  and name HN    ) (resid  120  and name HD#   )   5.0   3.2   1.0
assign (resid  116  and name HN    ) (resid  120  and name HE#   )   4.0   2.2   1.0
assign (resid  116  and name HA    ) (resid  118  and name HA  )   5.0   3.2  1.0
assign (resid  116  and name HA    ) (resid  119  and name HN  )   3.0   1.2  1.0
assign (resid  116  and name HA    ) (resid  119  and name HB  )   4.0   2.2  1.0
assign (resid  116  and name HA    ) (resid  120  and name HA  )   4.0   2.2  1.0
assign (resid  116  and name HB#   ) (resid  120  and name HB2  )   5.0   3.2  1.0
!T117
assign (resid  117  and name HN    ) (resid  118  and name HN  )   2.5   0.7  0.5
assign (resid  117  and name HA    ) (resid  118  and name HN  )   3.0   1.2  1.0
assign (resid  117  and name HA    ) (resid  118  and name HB#  )   4.0   2.2  1.0
assign (resid  117  and name HB    ) (resid  118  and name HN  )   3.0   1.2  1.0
assign (resid  117  and name HG2#  ) (resid  118  and name HN  )   4.0   2.2  1.0
assign (resid  117  and name HG2#  ) (resid  118  and name HB#  )   4.0   2.2  1.0
assign (resid  117  and name HN    ) (resid  119  and name HN  )   4.0   2.2  1.0
assign (resid  117  and name HA    ) (resid  119  and name HN  )   5.0   3.2  1.0
!K118
assign (resid  118  and name HN    ) (resid  119  and name HN  )   2.5   0.7  0.5
assign (resid  118  and name HA    ) (resid  119  and name HN  )   3.0   1.2  1.0
assign (resid  118  and name HA    ) (resid  119  and name HA  )   4.0   2.2  1.0
assign (resid  118  and name HB1   ) (resid  119  and name HN  )   3.0   1.2  1.0
assign (resid  118  and name HB2   ) (resid  119  and name HN  )   3.0   1.2  1.0
assign (resid  118  and name HB1   ) (resid  119  and name HG2#  )   4.0   2.2  1.0
assign (resid  118  and name HB2   ) (resid  119  and name HG2#  )   4.0   2.2  1.0
assign (resid  118  and name HG#   ) (resid  119  and name HN  )   4.0   2.2  1.0
assign (resid  118  and name HG1   ) (resid  119  and name HA  )   4.0   2.2  1.0
assign (resid  118  and name HG2   ) (resid  119  and name HA  )   4.0   2.2  1.0
assign (resid  118  and name HG#   ) (resid  119  and name HB  )   4.0   2.2  1.0
assign (resid  118  and name HG#   ) (resid  119  and name HG2#  )   4.0   2.2   1.0
assign (resid  118  and name HD#   ) (resid  119  and name HG2#  )   4.0   2.2  1.0
assign (resid  118  and name HE#   ) (resid  119  and name HG2#  )   4.0   2.2  1.0
assign (resid  118  and name HG#   ) (resid  120  and name HN    )   4.0   2.2   1.0
!T119
assign (resid  119  and name HN    ) (resid  120  and name HN  )   3.0   1.2  1.0
assign (resid  119  and name HA    ) (resid  120  and name HN  )   3.0   1.2  1.0
assign (resid  119  and name HB    ) (resid  120  and name HN    )   3.0   1.2   1.0
assign (resid  119  and name HB    ) (resid  120  and name HB1  )   4.0   2.2  1.0
assign (resid  119  and name HB    ) (resid  120  and name HD#  )   4.0   2.2  1.0
assign (resid  119  and name HB    ) (resid  120  and name HE#  )   4.0   2.2  1.0
assign (resid  119  and name HG2#  ) (resid  120  and name HN  )   4.0   2.2  1.0
assign (resid  119  and name HA    ) (resid  121  and name HG2#  )   4.0   2.2  1.0
!Y120
assign (resid  120  and name HN    ) (resid  121  and name HN  )   3.0   1.2  1.0
assign (resid  120  and name HA    ) (resid  121  and name HN  )   3.0   1.2  1.0
assign (resid  120  and name HB1   ) (resid  121  and name HN  )   4.0   2.2  1.0
assign (resid  120  and name HB2   ) (resid  121  and name HN  )   4.0   2.2  1.0
assign (resid  120  and name HD#   ) (resid  121  and name HN    )   4.0   2.2   1.0
assign (resid  120  and name HN    ) (resid  122  and name HN  )   4.0   2.2  1.0
assign (resid  120  and name HA    ) (resid  122  and name HB  )   5.0   3.2  1.0
assign (resid  120  and name HA    ) (resid  123  and name HN  )   4.0   2.2  1.0
!T121
assign (resid  121  and name HN    ) (resid  122  and name HN  )   2.5   0.7  0.5
assign (resid  121  and name HN    ) (resid  122  and name HG2#  )   4.0   2.2  1.0
assign (resid  121  and name HA    ) (resid  122  and name HN  )   3.0   1.2  1.0
assign (resid  121  and name HB    ) (resid  122  and name HN  )   4.0   2.2  1.0
assign (resid  121  and name HG2#  ) (resid  122  and name HN  )   4.0   2.2  1.0
assign (resid  121  and name HG2#  ) (resid  122  and name HA  )   4.0   2.2  1.0
assign (resid  121  and name HG2#  ) (resid  122  and name HB  )   4.0   2.2  1.0
assign (resid  121  and name HG2#  ) (resid  122  and name HG#  )   4.0   2.2  1.0
assign (resid  121  and name HB    ) (resid  124  and name HB1  )   5.0   3.2  1.0
assign (resid  121  and name HG2#  ) (resid  123  and name HN  )   4.0   2.2  1.0
assign (resid  121  and name HG2#  ) (resid  124  and name HB1  )   4.0   2.2  1.0
!V122
assign (resid  122  and name HN    ) (resid  123  and name HN  )   2.5   0.7  0.5
assign (resid  122  and name HA    ) (resid  123  and name HN  )   3.0   1.2  1.0
assign (resid  122  and name HB    ) (resid  123  and name HN  )   4.0   2.2  1.0
assign (resid  122  and name HG#   ) (resid  123  and name HN  )   4.0   2.2  1.0
assign (resid  122  and name HG2#  ) (resid  123  and name HA#  )   4.0   2.2  1.0
assign (resid  122  and name HN    ) (resid  124  and name HN  )   4.0   2.2  1.0
assign (resid  122  and name HA    ) (resid  124  and name HN  )   4.0   2.2  1.0
assign (resid  122  and name HA    ) (resid  124  and name HB1  )   5.0   3.2  1.0
assign (resid  122  and name HB    ) (resid  124  and name HN  )   4.0   2.2  1.0
assign (resid  122  and name HG#   ) (resid  124  and name HN  )   5.0   3.2  1.0
!G123
assign (resid  123  and name HN    ) (resid  124  and name HN  )   2.5   0.7  0.5
assign (resid  123  and name HA1   ) (resid  124  and name HN  )   3.0   1.2  1.0
assign (resid  123  and name HA2   ) (resid  124  and name HN  )   3.0   1.2  1.0
assign (resid  123  and name HN    ) (resid  125  and name HN  )   4.0   2.2  1.0
assign (resid  123  and name HA#   ) (resid  125  and name HN  )   4.0   2.2  1.0
!C124
assign (resid  124  and name HN    ) (resid  125  and name HN  )   3.0   1.2  1.0
assign (resid  124  and name HA    ) (resid  125  and name HN  )   3.0   1.2  1.0
assign (resid  124  and name HB1   ) (resid  125  and name HN  )   4.0   2.2  1.0
assign (resid  124  and name HB2   ) (resid  125  and name HN  )   4.0   2.2  1.0
assign (resid  124  and name HB1   ) (resid  125  and name HG#  )   4.0   2.2  1.0
assign (resid  124  and name HB1   ) (resid  126  and name HN  )   5.0   3.2  1.0
!E125
assign (resid  125  and name HN    ) (resid  126  and name HN  )   3.0   1.2  1.0
assign (resid  125  and name HA    ) (resid  126  and name HN  )   3.0   1.2  1.0
assign (resid  125  and name HA    ) (resid  126  and name HB#  )   4.0   2.2  1.0
assign (resid  125  and name HA    ) (resid  126  and name HG#  )   4.0   2.2  1.0
assign (resid  125  and name HB#   ) (resid  126  and name HN  )   4.0   2.2  1.0
assign (resid  125  and name HG#   ) (resid  126  and name HA  )   4.0   2.2  1.0
!E126

!! { Hydrogen Bond Restraints }

!H-BOND
assign (resid   85  and name HN    ) (resid   19  and name O     )   2.30  0.80  0.20
assign (resid   21  and name HN    ) (resid   83  and name O     )   2.30  0.80  0.20
assign (resid   38  and name HN    ) (resid   61  and name O     )   2.30  0.80  0.20
assign (resid   19  and name HN    ) (resid   85  and name O     )   2.30  0.80  0.20
assign (resid   20  and name HN    ) (resid   44  and name O     )   2.30  0.80  0.20
assign (resid   40  and name HN    ) (resid   59  and name O     )   2.30  0.80  0.20
assign (resid   61  and name HN    ) (resid   38  and name O     )   2.30  0.80  0.20
assign (resid   17  and name HN    ) (resid   87  and name O     )   2.30  0.80  0.20
assign (resid   96  and name HN    ) (resid   62  and name O     )   2.30  0.80  0.20
assign (resid   87  and name HN    ) (resid   17  and name O     )   2.30  0.80  0.20
assign (resid   83  and name HN    ) (resid   21  and name O     )   2.30  0.80  0.20
assign (resid   84  and name HN    ) (resid  103  and name O     )   2.30  0.80  0.20
assign (resid  103  and name HN    ) (resid   84  and name O     )   2.30  0.80  0.20
assign (resid   86  and name HN    ) (resid  101  and name O     )   2.30  0.80  0.20
assign (resid   87  and name N     ) (resid   17  and name O     )   3.30  0.80  0.20
assign (resid   96  and name N     ) (resid   62  and name O     )   3.30  0.80  0.20
assign (resid   17  and name N     ) (resid   87  and name O     )   3.30  0.80  0.20
assign (resid   61  and name N     ) (resid   38  and name O     )   3.30  0.80  0.20
assign (resid   40  and name N     ) (resid   59  and name O     )   3.30  0.80  0.20
assign (resid   20  and name N     ) (resid   44  and name O     )   3.30  0.80  0.20
assign (resid   19  and name N     ) (resid   85  and name O     )   3.30  0.80  0.20
assign (resid   38  and name N     ) (resid   61  and name O     )   3.30  0.80  0.20
assign (resid   21  and name N     ) (resid   83  and name O     )   3.30  0.80  0.20
assign (resid   85  and name N     ) (resid   19  and name O     )   3.30  0.80  0.20
assign (resid   83  and name N     ) (resid   21  and name O     )   3.30  0.80  0.20
assign (resid   84  and name N     ) (resid  103  and name O     )   3.30  0.80  0.20
assign (resid  103  and name N     ) (resid   84  and name O     )   3.30  0.80  0.20
assign (resid   86  and name N     ) (resid  101  and name O     )   3.30  0.80  0.20

!! { Dihedral Angle Restraints }

!!phi C(i-1)-N(i)-CA(i)-C(i)
!!2
assign
      (resid    1   and name C     )
      (resid    2   and name N     )
      (resid    2   and name CA    )
      (resid    2   and name C     )     1   -94.00    35.00 2
!!3
assign 
      (resid    2   and name C     )
      (resid    3   and name N     )
      (resid    3   and name CA    )
      (resid    3   and name C     )     1  -105.00    70.00 2
!!4
assign 
      (resid    3   and name C     )
      (resid    4   and name N     )
      (resid    4   and name CA    )
      (resid    4   and name C     )     1  -107.00    45.00 2
!!5
assign 
      (resid    4   and name C     )
      (resid    5   and name N     )
      (resid    5   and name CA    )
      (resid    5   and name C     )     1   -85.00    60.00 2
!!6
assign 
      (resid    5   and name C     )
      (resid    6   and name N     )
      (resid    6   and name CA    )
      (resid    6   and name C     )     1   -76.00    40.00 2
!!7
assign 
      (resid    6   and name C     )
      (resid    7   and name N     )
      (resid    7   and name CA    )
      (resid    7   and name C     )     1  -65.00    35.00 2
!!8
assign 
      (resid    7   and name C     )
      (resid    8   and name N     )
      (resid    8   and name CA    )
      (resid    8   and name C     )     1   -60.00    20.00 2
!!9
assign 
      (resid    8   and name C     )
      (resid    9   and name N     )
      (resid    9   and name CA    )
      (resid    9   and name C     )     1   -62.00    20.00 2
!!10
assign 
      (resid    9   and name C     )
      (resid   10   and name N     )
      (resid   10   and name CA    )
      (resid   10   and name C     )     1   -65.00    25.00 2
!!11
assign 
      (resid   10   and name C     )
      (resid   11   and name N     )
      (resid   11   and name CA    )
      (resid   11   and name C     )     1   -61.00    20.00 2
!!12
assign 
      (resid   11   and name C     )
      (resid   12   and name N     )
      (resid   12   and name CA    )
      (resid   12   and name C     )     1   -71.00    35.00 2
!!13
assign 
      (resid   12   and name C     )
      (resid   13   and name N     )
      (resid   13   and name CA    )
      (resid   13   and name C     )     1   -65.00    25.00 2
!!14
assign 
      (resid   13   and name C     )
      (resid   14   and name N     )
      (resid   14   and name CA    )
      (resid   14   and name C     )     1   -93.00    40.00 2
!!15
assign 
      (resid   14   and name C     )
      (resid   15   and name N     )
      (resid   15   and name CA    )
      (resid   15   and name C     )     1   -92.00    60.00 2
!!16
assign 
      (resid   15   and name C     )
      (resid   16   and name N     )
      (resid   16   and name CA    )
      (resid   16   and name C     )     1   -89.00    35.00 2
!!17
assign 
      (resid   16   and name C     )
      (resid   17   and name N     )
      (resid   17   and name CA    )
      (resid   17   and name C     )     1   -136.00    35.00 2
!!18
assign 
      (resid   17   and name C     )
      (resid   18   and name N     )
      (resid   18   and name CA    )
      (resid   18   and name C     )     1  -114.00    25.00 2
!!19
assign 
      (resid   18   and name C     )
      (resid   19   and name N     )
      (resid   19   and name CA    )
      (resid   19   and name C     )     1  -130.00    25.00 2
!!20
assign 
      (resid   19   and name C     )
      (resid   20   and name N     )
      (resid   20   and name CA    )
      (resid   20   and name C     )     1  -122.00    25.00 2
!!21
assign 
      (resid   20   and name C     )
      (resid   21   and name N     )
      (resid   21   and name CA    )
      (resid   21   and name C     )     1  -139.00    20.00 2
!!22
assign 
      (resid   21   and name C     )
      (resid   22   and name N     )
      (resid   22   and name CA    )
      (resid   22   and name C     )     1  -107.00    35.00 2
!!23
assign 
      (resid   22   and name C     )
      (resid   23   and name N     )
      (resid   23   and name CA    )
      (resid   23   and name C     )     1   -120.00    25.00 2
!!24
assign 
      (resid   23   and name C     )
      (resid   24   and name N     )
      (resid   24   and name CA    )
      (resid   24   and name C     )     1   -105.00    35.00 2
!!26
assign 
      (resid   25   and name C     )
      (resid   26   and name N     )
      (resid   26   and name CA    )
      (resid   26   and name C     )     1  -105.00    25.00 2
!!27
assign 
      (resid   26   and name C     )
      (resid   27   and name N     )
      (resid   27   and name CA    )
      (resid   27   and name C     )     1   -81.00    60.00 2
!!28
assign 
      (resid   27   and name C     )
      (resid   28   and name N     )
      (resid   28   and name CA    )
      (resid   28   and name C     )     1   -99.00    40.00 2
!!29
assign 
      (resid   28   and name C     )
      (resid   29   and name N     )
      (resid   29   and name CA    )
      (resid   29   and name C     )     1   -103.00    40.00 2
!!30
assign 
      (resid   29   and name C     )
      (resid   30   and name N     )
      (resid   30   and name CA    )
      (resid   30   and name C     )     1    -97.00    45.00 2
!!31
assign 
      (resid   30   and name C     )
      (resid   31   and name N     )
      (resid   31   and name CA    )
      (resid   31   and name C     )     1    -75.00    30.00 2
!!32
assign 
      (resid   31   and name C     )
      (resid   32   and name N     )
      (resid   32   and name CA    )
      (resid   32   and name C     )     1   -120.00    25.00 2
!!33
assign 
      (resid   32   and name C     )
      (resid   33   and name N     )
      (resid   33   and name CA    )
      (resid   33   and name C     )     1   -110.00    50.00 2
!!34
assign 
      (resid   33   and name C     )
      (resid   34   and name N     )
      (resid   34   and name CA    )
      (resid   34   and name C     )     1    57.00    30.00  2
!!35
assign 
      (resid   34   and name C     )
      (resid   35   and name N     )
      (resid   35   and name CA    )
      (resid   35   and name C     )     1   -120.00    25.00 2
!!36
assign 
      (resid   35   and name C     )
      (resid   36   and name N     )
      (resid   36   and name CA    )
      (resid   36   and name C     )     1  -135.00    30.00 2
!!37
assign 
      (resid   36   and name C     )
      (resid   37   and name N     )
      (resid   37   and name CA    )
      (resid   37   and name C     )     1  -125.00    35.00 2
!!38
assign 
      (resid   37   and name C     )
      (resid   38   and name N     )
      (resid   38   and name CA    )
      (resid   38   and name C     )     1  -113.00    35.00 2
!!39
assign 
      (resid   38   and name C     )
      (resid   39   and name N     )
      (resid   39   and name CA    )
      (resid   39   and name C     )     1   -99.00    45.00 2
!!40
assign 
      (resid   39   and name C     )
      (resid   40   and name N     )
      (resid   40   and name CA    )
      (resid   40   and name C     )     1  -132.00    20.00 2
!!41
assign 
      (resid   40   and name C     )
      (resid   41   and name N     )
      (resid   41   and name CA    )
      (resid   41   and name C     )     1  -113.00    35.00 2
!!42
assign 
      (resid   41   and name C     )
      (resid   42   and name N     )
      (resid   42   and name CA    )
      (resid   42   and name C     )     1   -82.00    40.00 2
!!43
assign 
      (resid   42   and name C     )
      (resid   43   and name N     )
      (resid   43   and name CA    )
      (resid   43   and name C     )     1   -89.00    35.00 2
!!44
assign 
      (resid   43   and name C     )
      (resid   44   and name N     )
      (resid   44   and name CA    )
      (resid   44   and name C     )     1  -130.00    40.00 2
!!45
assign 
      (resid   44   and name C     )
      (resid   45   and name N     )
      (resid   45   and name CA    )
      (resid   45   and name C     )     1  -116.00    25.00 2
!!46
assign 
      (resid   45   and name C     )
      (resid   46   and name N     )
      (resid   46   and name CA    )
      (resid   46   and name C     )     1  -120.00    25.00 2
!!47
assign 
      (resid   46   and name C     )
      (resid   47   and name N     )
      (resid   47   and name CA    )
      (resid   47   and name C     )     1  -135.00    50.00 2
!!49
assign 
      (resid   48   and name C     )
      (resid   49   and name N     )
      (resid   49   and name CA    )
      (resid   49   and name C     )     1   -65.00    20.00 2
!!50
assign 
      (resid   49   and name C     )
      (resid   50   and name N     )
      (resid   50   and name CA    )
      (resid   50   and name C     )     1   -64.00    30.00 2
!!51
assign 
      (resid   50   and name C     )
      (resid   51   and name N     )
      (resid   51   and name CA    )
      (resid   51   and name C     )     1   -66.00    30.00 2
!!52
assign 
      (resid   51   and name C     )
      (resid   52   and name N     )
      (resid   52   and name CA    )
      (resid   52   and name C     )     1   -105.00    50.00 2
!!54
assign 
      (resid   53   and name C     )
      (resid   54   and name N     )
      (resid   54   and name CA    )
      (resid   54   and name C     )     1    -86.00    40.00 2
!!55
assign 
      (resid   54   and name C     )
      (resid   55   and name N     )
      (resid   55   and name CA    )
      (resid   55   and name C     )     1    -86.00    60.00 2
!!56
assign 
      (resid   55   and name C     )
      (resid   56   and name N     )
      (resid   56   and name CA    )
      (resid   56   and name C     )     1   -72.00     45.00 2
!!57
assign 
      (resid   56   and name C     )
      (resid   57   and name N     )
      (resid   57   and name CA    )
      (resid   57   and name C     )     1  -100.00    55.00 2
!!58
assign 
      (resid   57   and name C     )
      (resid   58   and name N     )
      (resid   58   and name CA    )
      (resid   58   and name C     )     1   -120.00    40.00 2
!!59
assign 
      (resid   58   and name C     )
      (resid   59   and name N     )
      (resid   59   and name CA    )
      (resid   59   and name C     )     1   -120.00    25.00 2
!!60
assign 
      (resid   59   and name C     )
      (resid   60   and name N     )
      (resid   60   and name CA    )
      (resid   60   and name C     )     1  -125.00    25.00 2
!!61
assign 
      (resid   60   and name C     )
      (resid   61   and name N     )
      (resid   61   and name CA    )
      (resid   61   and name C     )     1  -127.00    30.00 2
!!62
assign 
      (resid   61   and name C     )
      (resid   62   and name N     )
      (resid   62   and name CA    )
      (resid   62   and name C     )     1  -115.00    30.00 2
!!63
assign 
      (resid   62   and name C     )
      (resid   63   and name N     )
      (resid   63   and name CA    )
      (resid   63   and name C     )     1  -123.00    30.00 2
!!64
assign 
      (resid   63   and name C     )
      (resid   64   and name N     )
      (resid   64   and name CA    )
      (resid   64   and name C     )     1  -100.00    80.00 2
!!65
assign 
      (resid   64   and name C     )
      (resid   65   and name N     )
      (resid   65   and name CA    )
      (resid   65   and name C     )     1  -120.00    40.00 2
!!66
assign 
      (resid   65   and name C     )
      (resid   66   and name N     )
      (resid   66   and name CA    )
      (resid   66   and name C     )     1  -103.00    40.00 2
!!69
assign 
      (resid   68   and name C     )
      (resid   69   and name N     )
      (resid   69   and name CA    )
      (resid   69   and name C     )     1   -97.00    40.00 2
!!70
assign 
      (resid   69   and name C     )
      (resid   70   and name N     )
      (resid   70   and name CA    )
      (resid   70   and name C     )     1  -120.00    25.00 2
!!72
assign 
      (resid   71   and name C     )
      (resid   72   and name N     )
      (resid   72   and name CA    )
      (resid   72   and name C     )     1   -120.00    45.00 2
!!73
assign 
      (resid   72   and name C     )
      (resid   73   and name N     )
      (resid   73   and name CA    )
      (resid   73   and name C     )     1   -120.00    50.00 2
!!74
assign 
      (resid   73   and name C     )
      (resid   74   and name N     )
      (resid   74   and name CA    )
      (resid   74   and name C     )     1    -96.00    45.00 2
!!75
assign 
      (resid   74   and name C     )
      (resid   75   and name N     )
      (resid   75   and name CA    )
      (resid   75   and name C     )     1   -120.00    25.00 2
!!76
assign 
      (resid   75   and name C     )
      (resid   76   and name N     )
      (resid   76   and name CA    )
      (resid   76   and name C     )     1   -120.00    40.00 2
!!77
assign 
      (resid   76   and name C     )
      (resid   77   and name N     )
      (resid   77   and name CA    )
      (resid   77   and name C     )     1  -100.00    80.00 2
!!78
assign 
      (resid   77   and name C     )
      (resid   78   and name N     )
      (resid   78   and name CA    )
      (resid   78   and name C     )     1   -108.00    45.00 2
!!79
assign 
      (resid   78   and name C     )
      (resid   79   and name N     )
      (resid   79   and name CA    )
      (resid   79   and name C     )     1    -67.00    35.00 2
!!80
assign 
      (resid   79   and name C     )
      (resid   80   and name N     )
      (resid   80   and name CA    )
      (resid   80   and name C     )     1   -100.00    40.00 2
!!81
assign 
      (resid   80   and name C     )
      (resid   81   and name N     )
      (resid   81   and name CA    )
      (resid   81   and name C     )     1   -80.00    50.00 2
!!82
assign 
      (resid   81   and name C     )
      (resid   82   and name N     )
      (resid   82   and name CA    )
      (resid   82   and name C     )     1  -105.00    35.00 2
!!83
assign 
      (resid   82   and name C     )
      (resid   83   and name N     )
      (resid   83   and name CA    )
      (resid   83   and name C     )     1  -120.00    40.00 2
!!84
assign 
      (resid   83   and name C     )
      (resid   84   and name N     )
      (resid   84   and name CA    )
      (resid   84   and name C     )     1  -114.00    30.00 2
!!85
assign 
      (resid   84   and name C     )
      (resid   85   and name N     )
      (resid   85   and name CA    )
      (resid   85   and name C     )     1  -120.00    25.00 2
!!86
assign 
      (resid   85   and name C     )
      (resid   86   and name N     )
      (resid   86   and name CA    )
      (resid   86   and name C     )     1  -114.00    40.00 2
!!86
assign 
      (resid   86   and name C     )
      (resid   87   and name N     )
      (resid   87   and name CA    )
      (resid   87   and name C     )     1  -141.00    50.00 2
!!88
assign 
      (resid   87   and name C     )
      (resid   88   and name N     )
      (resid   88   and name CA    )
      (resid   88   and name C     )     1  -117.00    40.00 2
!!89
assign 
      (resid   88   and name C     )
      (resid   89   and name N     )
      (resid   89   and name CA    )
      (resid   89   and name C     )     1  -108.00    30.00 2
!!90
assign 
      (resid   89   and name C     )
      (resid   90   and name N     )
      (resid   90   and name CA    )
      (resid   90   and name C     )     1  -122.00    25.00 2
!!91
assign 
      (resid   90   and name C     )
      (resid   91   and name N     )
      (resid   91   and name CA    )
      (resid   91   and name C     )     1    51.00    20.00 2
!!92
assign 
      (resid   91   and name C     )
      (resid   92   and name N     )
      (resid   92   and name CA    )
      (resid   92   and name C     )     1    88.00    40.00 2
!!93
assign 
      (resid   92   and name C     )
      (resid   93   and name N     )
      (resid   93   and name CA    )
      (resid   93   and name C     )     1  -112.00    35.00 2
!!94
assign 
      (resid   93   and name C     )
      (resid   94   and name N     )
      (resid   94   and name CA    )
      (resid   94   and name C     )     1  -110.00    60.00 2
!!95
assign 
      (resid   94   and name C     )
      (resid   95   and name N     )
      (resid   95   and name CA    )
      (resid   95   and name C     )     1  -120.00    25.00 2
!!96
assign 
      (resid   95   and name C     )
      (resid   96   and name N     )
      (resid   96   and name CA    )
      (resid   96   and name C     )     1  -130.00    25.00 2
!!97
assign 
      (resid   96   and name C     )
      (resid   97   and name N     )
      (resid   97   and name CA    )
      (resid   97   and name C     )     1   -118.00    40.00 2
!!98
assign 
      (resid   97   and name C     )
      (resid   98   and name N     )
      (resid   98   and name CA    )
      (resid   98   and name C     )     1   -65.00    25.00 2
!!99
assign 
      (resid   98   and name C     )
      (resid   99   and name N     )
      (resid   99   and name CA    )
      (resid   99   and name C     )     1   -120.00    25.00 2
!!100
assign 
      (resid   99   and name C     )
      (resid  100   and name N     )
      (resid  100   and name CA    )
      (resid  100   and name C     )     1   -103.00    45.00 2
!!101
assign 
      (resid  100   and name C     )
      (resid  101   and name N     )
      (resid  101   and name CA    )
      (resid  101   and name C     )     1   -92.00    40.00 2
!!102
assign 
      (resid  101   and name C     )
      (resid  102   and name N     )
      (resid  102   and name CA    )
      (resid  102   and name C     )     1  -114.00    35.00 2
!!103
assign 
      (resid  102   and name C     )
      (resid  103   and name N     )
      (resid  103   and name CA    )
      (resid  103   and name C     )     1  -111.00    50.00 2
!!104
assign 
      (resid  103   and name C     )
      (resid  104   and name N     )
      (resid  104   and name CA    )
      (resid  104   and name C     )     1   -72.00    30.00 2
!!105
assign 
      (resid  104   and name C     )
      (resid  105   and name N     )
      (resid  105   and name CA    )
      (resid  105   and name C     )     1   -59.00    25.00 2
!!106
assign 
      (resid  105   and name C     )
      (resid  106   and name N     )
      (resid  106   and name CA    )
      (resid  106   and name C     )     1   -65.00    25.00 2
!!107
assign 
      (resid  106   and name C     )
      (resid  107   and name N     )
      (resid  107   and name CA    )
      (resid  107   and name C     )     1    -90.00    50.00 2
!!108
assign 
      (resid  107   and name C     )
      (resid  108   and name N     )
      (resid  108   and name CA    )
      (resid  108   and name C     )     1   -75.00    45.00 2
!!109
assign 
      (resid  108   and name C     )
      (resid  109   and name N     )
      (resid  109   and name CA    )
      (resid  109   and name C     )     1   -80.00    30.00 2
!!110
assign 
      (resid  109   and name C     )
      (resid  110   and name N     )
      (resid  110   and name CA    )
      (resid  110   and name C     )     1   -62.00    25.00 2
!!111
assign 
      (resid  110   and name C     )
      (resid  111   and name N     )
      (resid  111   and name CA    )
      (resid  111   and name C     )     1   -62.00    20.00 2
!!112
assign 
      (resid  111   and name C     )
      (resid  112   and name N     )
      (resid  112   and name CA    )
      (resid  112   and name C     )     1   -64.00    20.00 2
!!113
assign 
      (resid  112   and name C     )
      (resid  113   and name N     )
      (resid  113   and name CA    )
      (resid  113   and name C     )     1   -63.00    25.00 2
!!114
assign 
      (resid  113   and name C     )
      (resid  114   and name N     )
      (resid  114   and name CA    )
      (resid  114   and name C     )     1   -64.00    15.00 2
!!115
assign 
      (resid  114   and name C     )
      (resid  115   and name N     )
      (resid  115   and name CA    )
      (resid  115   and name C     )     1   -66.00    20.00 2
!!116
assign 
      (resid  115   and name C     )
      (resid  116   and name N     )
      (resid  116   and name CA    )
      (resid  116   and name C     )     1   -61.00    20.00 2
!!117
assign 
      (resid  116   and name C     )
      (resid  117   and name N     )
      (resid  117   and name CA    )
      (resid  117   and name C     )     1   -76.00    30.00 2
!!118
assign 
      (resid  117   and name C     )
      (resid  118   and name N     )
      (resid  118   and name CA    )
      (resid  118   and name C     )     1   -78.00    60.00 2
!!119
assign 
      (resid  118   and name C     )
      (resid  119   and name N     )
      (resid  119   and name CA    )
      (resid  119   and name C     )     1   -74.00    30.00 2
!!120
assign 
      (resid  119   and name C     )
      (resid  120   and name N     )
      (resid  120   and name CA    )
      (resid  120   and name C     )     1   -70.00    30.00 2
!!121
assign 
      (resid  120   and name C     )
      (resid  121   and name N     )
      (resid  121   and name CA    )
      (resid  121   and name C     )     1   -69.00    30.00 2
!!122
assign 
      (resid  121   and name C     )
      (resid  122   and name N     )
      (resid  122   and name CA    )
      (resid  122   and name C     )     1   -89.00    30.00 2
!!124
assign 
      (resid  123   and name C     )
      (resid  124   and name N     )
      (resid  124   and name CA    )
      (resid  124   and name C     )     1  -100.00    60.00 2
!!125
assign 
      (resid  124   and name C     )
      (resid  125   and name N     )
      (resid  125   and name CA    )
      (resid  125   and name C     )     1   -75.00    50.00 2
!!126
assign 
      (resid  125   and name C     )
      (resid  126   and name N     )
      (resid  126   and name CA    )
      (resid  126   and name C     )     1   -65.00    40.00 2
!!psi N(i)-CA(i)-C(i)-N(i+1)
!!4
assign 
      (resid    4   and name N     )
      (resid    4   and name CA    )
      (resid    4   and name C     )
      (resid    5   and name N     )     1   135.00    40.00 2
!!5
assign 
      (resid    5   and name N     )
      (resid    5   and name CA    )
      (resid    5   and name C     )
      (resid    6   and name N     )     1   140.00    30.00 2
!!8
assign 
      (resid    8   and name N     )
      (resid    8   and name CA    )
      (resid    8   and name C     )
      (resid    9   and name N     )     1   -38.00    30.00 2
!!9
assign 
      (resid    9   and name N     )
      (resid    9   and name CA    )
      (resid    9   and name C     )
      (resid   10   and name N     )     1   -39.00    30.00 2
!!10
assign 
      (resid   10   and name N     )
      (resid   10   and name CA    )
      (resid   10   and name C     )
      (resid   11   and name N     )     1   -43.00    20.00 2
!!11
assign 
      (resid   11   and name N     )
      (resid   11   and name CA    )
      (resid   11   and name C     )
      (resid   12   and name N     )     1   -38.00    20.00 2
!!12
assign 
      (resid   12   and name N     )
      (resid   12   and name CA    )
      (resid   12   and name C     )
      (resid   13   and name N     )     1   -29.00    50.00 2
!!13
assign 
      (resid   13   and name N     )
      (resid   13   and name CA    )
      (resid   13   and name C     )
      (resid   14   and name N     )     1   -30.00    35.00 2
!!14
assign 
      (resid   14   and name N     )
      (resid   14   and name CA    )
      (resid   14   and name C     )
      (resid   15   and name N     )     1   -41.00    39.00 2
!!15  !changed from helical to beta region
assign 
      (resid   15   and name N     )
      (resid   15   and name CA    )
      (resid   15   and name C     )
      (resid   16   and name N     )     1   137.00    50.00 2
!!17
assign 
      (resid   17   and name N     )
      (resid   17   and name CA    )
      (resid   17   and name C     )
      (resid   18   and name N     )     1   152.00    35.00 2
!!18
assign 
      (resid   18   and name N     )
      (resid   18   and name CA    )
      (resid   18   and name C     )
      (resid   19   and name N     )     1   138.00    25.00 2
!!19
assign 
      (resid   19   and name N     )
      (resid   19   and name CA    )
      (resid   19   and name C     )
      (resid   20   and name N     )     1   152.00    35.00 2
!!20
assign 
      (resid   20   and name N     )
      (resid   20   and name CA    )
      (resid   20   and name C     )
      (resid   21   and name N     )     1   142.00    30.00 2
!!21
assign 
      (resid   21   and name N     )
      (resid   21   and name CA    )
      (resid   21   and name C     )
      (resid   22   and name N     )     1   149.00    30.00 2
!!22
assign 
      (resid   22   and name N     )
      (resid   22   and name CA    )
      (resid   22   and name C     )
      (resid   23   and name N     )     1   131.00    30.00 2
!!26
assign 
      (resid   26   and name N     )
      (resid   26   and name CA    )
      (resid   26   and name C     )
      (resid   27   and name N     )     1   128.00    50.00 2
!!27
assign 
      (resid   27   and name N     )
      (resid   27   and name CA    )
      (resid   27   and name C     )
      (resid   28   and name N     )     1   136.00    40.00 2
!!28
assign 
      (resid   28   and name N     )
      (resid   28   and name CA    )
      (resid   28   and name C     )
      (resid   29   and name N     )     1   128.00    50.00 2
!!29
assign 
      (resid   29   and name N     )
      (resid   29   and name CA    )
      (resid   29   and name C     )
      (resid   30   and name N     )     1   123.00    25.00 2
!!30
assign 
      (resid   30   and name N     )
      (resid   30   and name CA    )
      (resid   30   and name C     )
      (resid   31   and name N     )     1   129.00    40.00 2
!!35
assign 
      (resid   35   and name N     )
      (resid   35   and name CA    )
      (resid   35   and name C     )
      (resid   36   and name N     )     1   144.00    35.00 2
!!36
assign 
      (resid   36   and name N     )
      (resid   36   and name CA    )
      (resid   36   and name C     )
      (resid   37   and name N     )     1   153.00    35.00 2
!!37
assign 
      (resid   37   and name N     )
      (resid   37   and name CA    )
      (resid   37   and name C     )
      (resid   38   and name N     )     1   139.00    40.00 2
!!38
assign 
      (resid   38   and name N     )
      (resid   38   and name CA    )
      (resid   38   and name C     )
      (resid   39   and name N     )     1   129.00    20.00 2
!!39
assign 
      (resid   39   and name N     )
      (resid   39   and name CA    )
      (resid   39   and name C     )
      (resid   40   and name N     )     1   122.00    25.00 2
!!40
assign 
      (resid   40   and name N     )
      (resid   40   and name CA    )
      (resid   40   and name C     )
      (resid   41   and name N     )     1   159.00    20.00 2
!!41
assign 
      (resid   41   and name N     )
      (resid   41   and name CA    )
      (resid   41   and name C     )
      (resid   42   and name N     )     1   125.00    40.00 2
!!42
assign 
      (resid   42   and name N     )
      (resid   42   and name CA    )
      (resid   42   and name C     )
      (resid   43   and name N     )     1   122.00    20.00 2
!!44
assign 
      (resid   44   and name N     )
      (resid   44   and name CA    )
      (resid   44   and name C     )
      (resid   45   and name N     )     1   142.00    20.00 2
!!45
assign 
      (resid   45   and name N     )
      (resid   45   and name CA    )
      (resid   45   and name C     )
      (resid   46   and name N     )     1   130.00    30.00 2
!!47
assign 
      (resid   47   and name N     )
      (resid   47   and name CA    )
      (resid   47   and name C     )
      (resid   48   and name N     )     1   135.00    30.00 2
!!50
assign 
      (resid   50   and name N     )
      (resid   50   and name CA    )
      (resid   50   and name C     )
      (resid   51   and name N     )     1   -30.00    30.00 2
!!51
assign 
      (resid   51   and name N     )
      (resid   51   and name CA    )
      (resid   51   and name C     )
      (resid   52   and name N     )     1   -31.00    20.00 2

!!58
assign 
      (resid   58   and name N     )
      (resid   58   and name CA    )
      (resid   58   and name C     )
      (resid   59   and name N     )     1   118.00    35.00 2
!!60
assign 
      (resid   60   and name N     )
      (resid   60   and name CA    )
      (resid   60   and name C     )
      (resid   61   and name N     )     1   155.00    30.00 2
!!61
assign 
      (resid   61   and name N     )
      (resid   61   and name CA    )
      (resid   61   and name C     )
      (resid   62   and name N     )     1   131.00    30.00 2
!!62
assign 
      (resid   62   and name N     )
      (resid   62   and name CA    )
      (resid   62   and name C     )
      (resid   63   and name N     )     1   137.00    30.00 2
!!63
assign 
      (resid   63   and name N     )
      (resid   63   and name CA    )
      (resid   63   and name C     )
      (resid   64   and name N     )     1   135.00    30.00 2
!!66
assign 
      (resid   66   and name N     )
      (resid   66   and name CA    )
      (resid   66   and name C     )
      (resid   67   and name N     )     1   135.00    35.00 2
!!72
assign 
      (resid   72   and name N     )
      (resid   72   and name CA    )
      (resid   72   and name C     )
      (resid   73   and name N     )     1   121.00    35.00 2
!!73
assign 
      (resid   73   and name N     )
      (resid   73   and name CA    )
      (resid   73   and name C     )
      (resid   74   and name N     )     1   117.00    40.00 2
!!74
assign 
      (resid   74   and name N     )
      (resid   74   and name CA    )
      (resid   74   and name C     )
      (resid   75   and name N     )     1   134.00    35.00 2
!!78
assign 
      (resid   78   and name N     )
      (resid   78   and name CA    )
      (resid   78   and name C     )
      (resid   79   and name N     )     1   134.00    60.00 2
!!81
assign 
      (resid   81   and name N     )
      (resid   81   and name CA    )
      (resid   81   and name C     )
      (resid   82   and name N     )     1   119.00    40.00 2
!!82
assign 
      (resid   82   and name N     )
      (resid   82   and name CA    )
      (resid   82   and name C     )
      (resid   83   and name N     )     1   131.00    35.00 2
!!83
assign 
      (resid   83   and name N     )
      (resid   83   and name CA    )
      (resid   83   and name C     )
      (resid   84   and name N     )     1   138.00    35.00 2
!!84
assign 
      (resid   84   and name N     )
      (resid   84   and name CA    )
      (resid   84   and name C     )
      (resid   85   and name N     )     1   127.00    20.00 2
!!85
assign 
      (resid   85   and name N     )
      (resid   85   and name CA    )
      (resid   85   and name C     )
      (resid   86   and name N     )     1   132.00    25.00 2
!!86
assign 
      (resid   86   and name N     )
      (resid   86   and name CA    )
      (resid   86   and name C     )
      (resid   87   and name N     )     1   133.00    30.00 2
!!87
assign 
      (resid   87   and name N     )
      (resid   87   and name CA    )
      (resid   87   and name C     )
      (resid   88   and name N     )     1   155.00    40.00 2
!!88
assign 
      (resid   88   and name N     )
      (resid   88   and name CA    )
      (resid   88   and name C     )
      (resid   89   and name N     )     1   132.00    40.00 2
!!89
assign 
      (resid   89   and name N     )
      (resid   89   and name CA    )
      (resid   89   and name C     )
      (resid   90   and name N     )     1   125.00    20.00 2
!!90
assign 
      (resid   90   and name N     )
      (resid   90   and name CA    )
      (resid   90   and name C     )
      (resid   91   and name N     )     1   123.00    20.00 2
!!91
assign 
      (resid   91   and name N     )
      (resid   91   and name CA    )
      (resid   91   and name C     )
      (resid   92   and name N     )     1    41.00    20.00 2
!!93
assign 
      (resid   93   and name N     )
      (resid   93   and name CA    )
      (resid   93   and name C     )
      (resid   94   and name N     )     1   125.00    30.00 2
!!94
assign 
      (resid   94   and name N     )
      (resid   94   and name CA    )
      (resid   94   and name C     )
      (resid   95   and name N     )     1   124.00    30.00 2
!!95
assign 
      (resid   95   and name N     )
      (resid   95   and name CA    )
      (resid   95   and name C     )
      (resid   96   and name N     )     1   149.00    30.00 2
!!96
assign 
      (resid   96   and name N     )
      (resid   96   and name CA    )
      (resid   96   and name C     )
      (resid   97   and name N     )     1   154.00    20.00 2
!!97
assign 
      (resid   97   and name N     )
      (resid   97   and name CA    )
      (resid   97   and name C     )
      (resid   98   and name N     )     1   147.00    40.00 2
!!100
assign 
      (resid  100   and name N     )
      (resid  100   and name CA    )
      (resid  100   and name C     )
      (resid  101   and name N     )     1   128.00    30.00 2
!!101
assign 
      (resid  101   and name N     )
      (resid  101   and name CA    )
      (resid  101   and name C     )
      (resid  102   and name N     )     1   125.00    20.00 2
!!102
assign 
      (resid  102   and name N     )
      (resid  102   and name CA    )
      (resid  102   and name C     )
      (resid  103   and name N     )     1   130.00    25.00 2
!!103
assign 
      (resid  103   and name N     )
      (resid  103   and name CA    )
      (resid  103   and name C     )
      (resid  104   and name N     )     1   142.00    60.00 2
!!104
assign 
      (resid  104   and name N     )
      (resid  104   and name CA    )
      (resid  104   and name C     )
      (resid  105   and name N     )     1   141.00    30.00 2
!!105
assign 
      (resid  105   and name N     )
      (resid  105   and name CA    )
      (resid  105   and name C     )
      (resid  106   and name N     )     1   -33.00    20.00 2
!!108
assign 
      (resid  108   and name N     )
      (resid  108   and name CA    )
      (resid  108   and name C     )
      (resid  109   and name N     )     1   131.00    55.00 2
!!109
assign 
      (resid  109   and name N     )
      (resid  109   and name CA    )
      (resid  109   and name C     )
      (resid  110   and name N     )     1   148.00    60.00 2
!!110
assign 
      (resid  110   and name N     )
      (resid  110   and name CA    )
      (resid  110   and name C     )
      (resid  111   and name N     )     1   -36.00    20.00 2
!!111
assign 
      (resid  111   and name N     )
      (resid  111   and name CA    )
      (resid  111   and name C     )
      (resid  112   and name N     )     1   -39.00    20.00 2
!!112
assign 
      (resid  112   and name N     )
      (resid  112   and name CA    )
      (resid  112   and name C     )
      (resid  113   and name N     )     1   -40.00    40.00 2
!!113
assign 
      (resid  113   and name N     )
      (resid  113   and name CA    )
      (resid  113   and name C     )
      (resid  114   and name N     )     1   -42.00    15.00 2
!!114
assign 
      (resid  114   and name N     )
      (resid  114   and name CA    )
      (resid  114   and name C     )
      (resid  115   and name N     )     1   -37.00    20.00 2
!!115
assign 
      (resid  115   and name N     )
      (resid  115   and name CA    )
      (resid  115   and name C     )
      (resid  116   and name N     )     1   -39.00    20.00 2
!!116
assign 
      (resid  116   and name N     )
      (resid  116   and name CA    )
      (resid  116   and name C     )
      (resid  117   and name N     )     1   -33.00    20.00 2
!!117
assign 
      (resid  117   and name N     )
      (resid  117   and name CA    )
      (resid  117   and name C     )
      (resid  118   and name N     )     1   -29.00    35.00 2
!!118
assign 
      (resid  118   and name N     )
      (resid  118   and name CA    )
      (resid  118   and name C     )
      (resid  119   and name N     )     1   -32.00    50.00 2
!!121
assign 
      (resid  121   and name N     )
      (resid  121   and name CA    )
      (resid  121   and name C     )
      (resid  122   and name N     )     1   -35.00    35.00 2
!!122
assign 
      (resid  122   and name N     )
      (resid  122   and name CA    )
      (resid  122   and name C     )
      (resid  123   and name N     )     1     8.00    30.00 2
!!chi1
!!C3
assign 
      (resid    3   and name N     )
      (resid    3   and name CA    )
      (resid    3   and name CB    )
      (resid    3   and name CG    )     1    64.00    25.00 2

!!T10
assign 
      (resid   10   and name N     )
      (resid   10   and name CA    )
      (resid   10   and name CB    )
      (resid   10   and name OG1   )     1   -67.00    25.00 2
!!F12
assign 
      (resid   12   and name N     )
      (resid   12   and name CA    )
      (resid   12   and name CB    )
      (resid   12   and name CG    )     1   184.00    30.00 2
!!C13
assign 
      (resid   13   and name N     )
      (resid   13   and name CA    )
      (resid   13   and name CB    )
      (resid   13   and name CG    )     1   -67.00    25.00 2
!!S15
assign 
      (resid   15   and name N     )
      (resid   15   and name CA    )
      (resid   15   and name CB    )
      (resid   15   and name CG    )     1   -67.00    25.00 2
!!D16
assign 
      (resid   16   and name N     )
      (resid   16   and name CA    )
      (resid   16   and name CB    )
      (resid   16   and name CG    )     1   -67.00    25.00 2
!!V18
assign 
      (resid   18   and name N     )
      (resid   18   and name CA    )
      (resid   18   and name CB    )
      (resid   18   and name CG1   )     1   184.00    25.00 2
!!I19
assign 
      (resid   19   and name N     )
      (resid   19   and name CA    )
      (resid   19   and name CB    )
      (resid   19   and name CG1   )     1    64.00    25.00 2
!!R20
assign 
      (resid   20   and name N     )
      (resid   20   and name CA    )
      (resid   20   and name CB    )
      (resid   20   and name CG    )     1    64.00    25.00 2
!!K22
assign 
      (resid   22   and name N     )
      (resid   22   and name CA    )
      (resid   22   and name CB    )
      (resid   22   and name CG    )     1   -67.00    25.00 2
!!F23
assign 
      (resid   23   and name N     )
      (resid   23   and name CA    )
      (resid   23   and name CB    )
      (resid   23   and name CG    )     1   -67.00    25.00 2
!!V24
assign 
      (resid   24   and name N     )
      (resid   24   and name CA    )
      (resid   24   and name CB    )
      (resid   24   and name CG1   )     1   -67.00    30.00 2
!!V29
assign 
      (resid   29   and name N     )
      (resid   29   and name CA    )
      (resid   29   and name CB    )
      (resid   29   and name CG1   )     1   184.00    25.00 2
!!N30
assign 
      (resid   30   and name N     )
      (resid   30   and name CA    )
      (resid   30   and name CB    )
      (resid   30   and name CG    )     1   184.00    25.00 2
!!Q31
assign 
      (resid   31   and name N     )
      (resid   31   and name CA    )
      (resid   31   and name CB    )
      (resid   31   and name CG    )     1   -67.00    30.00 2
!!T32
assign 
      (resid   32   and name N     )
      (resid   32   and name CA    )
      (resid   32   and name CB    )
      (resid   32   and name OG1   )     1   -67.00    25.00 2
!!L34
assign 
      (resid   34   and name N     )
      (resid   34   and name CA    )
      (resid   34   and name CB    )
      (resid   34   and name CG    )     1   -67.00    25.00 2
!!Y35
assign 
      (resid   35   and name N     )
      (resid   35   and name CA    )
      (resid   35   and name CB    )
      (resid   35   and name CG    )     1    64.00    30.00 2
!!Q36
assign 
      (resid   36   and name N     )
      (resid   36   and name CA    )
      (resid   36   and name CB    )
      (resid   36   and name CG    )     1   -67.00    25.00 2
!!I40
assign 
      (resid   40   and name N     )
      (resid   40   and name CA    )
      (resid   40   and name CB    )
      (resid   40   and name CG1   )     1    64.00    25.00 2
!!M42
assign 
      (resid   42   and name N     )
      (resid   42   and name CA    )
      (resid   42   and name CB    )
      (resid   42   and name CG    )     1   184.00    25.00 2
!!Y46
assign 
      (resid   46   and name N     )
      (resid   46   and name CA    )
      (resid   46   and name CB    )
      (resid   46   and name CG    )     1   -67.00    30.00 2
!!F49
assign 
      (resid   49   and name N     )
      (resid   49   and name CA    )
      (resid   49   and name CB    )
      (resid   49   and name CG    )     1   -67.00    25.00 2
!!I58
assign 
      (resid   58   and name N     )
      (resid   58   and name CA    )
      (resid   58   and name CB    )
      (resid   58   and name CG1   )     1   -67.00    30.00 2
!!F60
assign 
      (resid   60   and name N     )
      (resid   60   and name CA    )
      (resid   60   and name CB    )
      (resid   60   and name CG    )     1   -67.00    25.00 2
!!V61
assign 
      (resid   61   and name N     )
      (resid   61   and name CA    )
      (resid   61   and name CB    )
      (resid   61   and name CG1   )     1   -67.00    30.00 2
!!Y62
assign 
      (resid   62   and name N     )
      (resid   62   and name CA    )
      (resid   62   and name CB    )
      (resid   62   and name CG    )     1   -67.00    25.00 2
!!V69
assign 
      (resid   69   and name N     )
      (resid   69   and name CA    )
      (resid   69   and name CB    )
      (resid   69   and name CG1   )     1   60.00    30.00 2
!!Y72
assign 
      (resid   72   and name N     )
      (resid   72   and name CA    )
      (resid   72   and name CB    )
      (resid   72   and name CG    )     1   184.00    25.00 2
!!F73
assign 
      (resid   73   and name N     )
      (resid   73   and name CA    )
      (resid   73   and name CB    )
      (resid   73   and name CG    )     1   -67.00    30.00 2
!!H74
assign 
      (resid   74   and name N     )
      (resid   74   and name CA    )
      (resid   74   and name CB    )
      (resid   74   and name CG    )     1   184.00    25.00 2
!!N78
assign 
      (resid   78   and name N     )
      (resid   78   and name CA    )
      (resid   78   and name CB    )
      (resid   78   and name CG    )     1   184.00    30.00 2
!!S76
assign 
      (resid   76   and name N     )
      (resid   76   and name CA    )
      (resid   76   and name CB    )
      (resid   76   and name OG    )     1   -67.00    30.00 2
!!E81
assign 
      (resid   81   and name N     )
      (resid   81   and name CA    )
      (resid   81   and name CB    )
      (resid   81   and name CG    )     1   184.00    30.00 2
!!L84
assign 
      (resid   84   and name N     )
      (resid   84   and name CA    )
      (resid   84   and name CB    )
      (resid   84   and name CG    )     1   184.00    25.00 2
!!F83
assign 
      (resid   83   and name N     )
      (resid   83   and name CA    )
      (resid   83   and name CB    )
      (resid   83   and name CG    )     1   -67.00    25.00 2
!!I85
assign 
      (resid   85   and name N     )
      (resid   85   and name CA    )
      (resid   85   and name CB    )
      (resid   85   and name CG1   )     1   -67.00    25.00 2
!!L89
assign 
      (resid   89   and name N     )
      (resid   89   and name CA    )
      (resid   89   and name CB    )
      (resid   89   and name CG    )     1   -67.00    25.00 2
!!D91
assign 
      (resid   91   and name N     )
      (resid   91   and name CA    )
      (resid   91   and name CB    )
      (resid   91   and name CG    )     1   -67.00    25.00 2
!!L93
assign 
      (resid   93   and name N     )
      (resid   93   and name CA    )
      (resid   93   and name CB    )
      (resid   93   and name CG    )     1   -67.00    25.00 2
!!H95
assign 
      (resid   95   and name N     )
      (resid   95   and name CA    )
      (resid   95   and name CB    )
      (resid   95   and name CG    )     1   -67.00    25.00 2
!!C99
assign 
      (resid   99   and name N     )
      (resid   99   and name CA    )
      (resid   99   and name CB    )
      (resid   99   and name CG    )     1    64.00    25.00 2
!!F101
assign 
      (resid  101   and name N     )
      (resid  101   and name CA    )
      (resid  101   and name CB    )
      (resid  101   and name CG    )     1   184.00    25.00 2
!!V102
assign 
      (resid  102   and name N     )
      (resid  102   and name CA    )
      (resid  102   and name CB    )
      (resid  102   and name CG1   )     1   184.00    25.00 2
!!W105
assign 
      (resid  105   and name N     )
      (resid  105   and name CA    )
      (resid  105   and name CB    )
      (resid  105   and name CG    )     1   184.00    25.00 2
!!N106
assign 
      (resid  106   and name N     )
      (resid  106   and name CA    )
      (resid  106   and name CB    )
      (resid  106   and name CG    )     1   -67.00    25.00 2
!!L108
assign 
      (resid  108   and name N     )
      (resid  108   and name CA    )
      (resid  108   and name CB    )
      (resid  108   and name CG    )     1   -67.00    25.00 2
!!S109
assign 
      (resid  109   and name N     )
      (resid  109   and name CA    )
      (resid  109   and name CB    )
      (resid  109   and name CG    )     1    64.00    30.00 2
!!L110
assign 
      (resid  110   and name N     )
      (resid  110   and name CA    )
      (resid  110   and name CB    )
      (resid  110   and name CG    )     1    64.00    25.00 2
!!F116
assign 
      (resid  116   and name N     )
      (resid  116   and name CA    )
      (resid  116   and name CB    )
      (resid  116   and name CG    )     1   -67.00    25.00 2
!!Y120
assign 
      (resid  120   and name N     )
      (resid  120   and name CA    )
      (resid  120   and name CB    )
      (resid  120   and name CG    )     1   -67.00    30.00 2
!!V122
assign 
      (resid  122   and name N     )
      (resid  122   and name CA    )
      (resid  122   and name CB    )
      (resid  122   and name CG1   )     1   184.00    25.00 2
!!C124
assign 
      (resid  124   and name N     )
      (resid  124   and name CA    )
      (resid  124   and name CB    )
      (resid  124   and name CG    )     1   -67.00    25.00 2

!! { Dipolar Coupling Restraints }

!! 1DNH
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  7   and name N   )
       ( resid  7   and name HN  )    1.739  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  9   and name N   )
       ( resid  9   and name HN  )    0.426  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  10  and name N   )
       ( resid  10  and name HN  )   -0.791  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  11  and name N   )
       ( resid  11  and name HN  )    6.539  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  13  and name N   )
       ( resid  13  and name HN  )   -0.796  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  14  and name N   )
       ( resid  14  and name HN  )    3.280  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  15  and name N   )
       ( resid  15  and name HN  )    9.382  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  16  and name N   )
       ( resid  16  and name HN  )   -2.422  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  17  and name N   )
       ( resid  17  and name HN  )   -1.601  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  18  and name N   )
       ( resid  18  and name HN  )    0.020  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  19  and name N   )
       ( resid  19  and name HN  )   -0.790  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  20  and name N   )
       ( resid  20  and name HN  )   -1.607  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  21  and name N   )
       ( resid  21  and name HN  )   -2.012  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  23  and name N   )
       ( resid  23  and name HN  )    7.760  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  24  and name N   )
       ( resid  24  and name HN  )    5.312  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  25  and name N   )
       ( resid  25  and name HN  )   -2.012  1.2000  

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  26  and name N   )
       ( resid  26  and name HN  )   -7.303  1.2000  

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  28  and name N   )
       ( resid  28  and name HN  )  -11.778  1.2000

assign ( resid 500  and name OO  )  !high T1/T2 and conf. exch
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  29  and name N   )
       ( resid  29  and name HN  )  -10.152  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  30  and name N   )
       ( resid  30  and name HN  )  -13.410  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  31  and name N   )
       ( resid  31  and name HN  )   -6.087  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  32  and name N   )
       ( resid  32  and name HN  )    8.166  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  33  and name N   )
       ( resid  33  and name HN  )    4.901  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  34  and name N   )
       ( resid  34  and name HN  )   -8.115  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  35  and name N   )
       ( resid  35  and name HN  )   -4.861  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  36  and name N   )
       ( resid  36  and name HN  )  -15.038  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  38  and name N   )
       ( resid  38  and name HN  )  -13.406  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  39  and name N   )
       ( resid  39  and name HN  )   -9.341  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  41  and name N   )
       ( resid  41  and name HN  )   -2.418  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  42  and name N   )
       ( resid  42  and name HN  )    1.248  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  43  and name N   )
       ( resid  43  and name HN  )    2.869  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  44  and name N   )
       ( resid  44  and name HN  )    5.716  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  45  and name N   )
       ( resid  45  and name HN  )   3.280  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  46  and name N   )
       ( resid  46  and name HN  )    0.426  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  47  and name N   )
       ( resid  47  and name HN  )  -13.817  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  48  and name N   )
       ( resid  48  and name HN  )  -12.600  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  49  and name N   )
       ( resid  49  and name HN  )    1.647  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  50  and name N   )
       ( resid  50  and name HN  )   -4.05  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  51  and name N   )
       ( resid  51  and name HN  )    6.534  1.2000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  59  and name N   )
       ( resid  59  and name HN  )   10.198  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  60  and name N   )
       ( resid  60  and name HN  )   -4.921  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  61  and name N   )
       ( resid  61  and name HN  )   -8.925  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  62  and name N   )
       ( resid  62  and name HN  )  -13.000  2.4000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  63  and name N   )
       ( resid  63  and name HN  )  -13.000  1.2000

assign ( resid 500  and name OO  )   !high T1/T2 and conf. exch.
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  65  and name N   )
       ( resid  65  and name HN  )    9.316  2.4000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  71  and name N   )
       ( resid  71  and name HN  )    1.648  1.2000

assign ( resid 500  and name OO  )  !high T1/T2 and conf. exch.
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  73  and name N   )
       ( resid  73  and name HN  )   -5.677  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  74  and name N   )
       ( resid  74  and name HN  )    0.431  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  78  and name N   )
       ( resid  78  and name HN  )   -2.423  1.8000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  79  and name N   )
       ( resid  79  and name HN  )   -8.52  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  80  and name N   )
       ( resid  80  and name HN  )   -1.196  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  81  and name N   )
       ( resid  81  and name HN  )   -6.893  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  82  and name N   )
       ( resid  82  and name HN  )   13.862  1.8000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  83  and name N   )
       ( resid  83  and name HN  )   -0.385  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  84  and name N   )
       ( resid  84  and name HN  )   -2.828  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  85  and name N   )
       ( resid  85  and name HN  )    2.873  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  86  and name N   )
       ( resid  86  and name HN  )   -4.049  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  87  and name N   )
       ( resid  87  and name HN  )    0.016  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  89  and name N   )
       ( resid  89  and name HN  )  -14.221  1.8000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  90  and name N   )
       ( resid  90  and name HN  )   -0.380  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  91  and name N   )
       ( resid  91  and name HN  )  -10.558  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  92  and name N   )
       ( resid  92  and name HN  )  -11.368  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  93  and name N   )
       ( resid  93  and name HN  )   10.613  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  94  and name N   )
       ( resid  94  and name HN  )   -4.050  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  95  and name N   )
       ( resid  95  and name HN  )  -10.968  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  96  and name N   )
       ( resid  96  and name HN  )  -11.779  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  97  and name N   )
       ( resid  97  and name HN  )   -3.639  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  98  and name N   )
       ( resid  98  and name HN  )   -1.196  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  99  and name N   )
       ( resid  99  and name HN  )    2.874  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 100  and name N   )
       ( resid 100  and name HN  )  -14.227  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 101  and name N   )
       ( resid 101  and name HN  )   -2.418  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 103  and name N   )
       ( resid 103  and name HN  )   -4.455  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 105  and name N   )
       ( resid 105  and name HN  )  -10.152  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 106  and name N   )
       ( resid 106  and name HN  )  -11.368  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 107  and name N   )
       ( resid 107  and name HN  )    8.161  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 108  and name N   )
       ( resid 108  and name HN  )   -8.525  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 109  and name N   )
       ( resid 109  and name HN  )   17.116  3.0000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 110  and name N   )
       ( resid 110  and name HN  )    3.274  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 112  and name N   )
       ( resid 112  and name HN  )    2.469  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 117  and name N   )
       ( resid 117  and name HN  )    4.096  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 119  and name N   )
       ( resid 119  and name HN  )    2.058  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 120  and name N   )
       ( resid 120  and name HN  )   -8.520  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 121  and name N   )
       ( resid 121  and name HN  )    9.792  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 122  and name N   )
       ( resid 122  and name HN  )   10.608  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 123  and name N   )
       ( resid 123  and name HN  )   -6.082  1.2000

!! 1DNC'

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  2   and name C   )
       ( resid  3   and name N   )   -2.585  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  9   and name C   )
       ( resid 10   and name N   )    0.407  0.6000
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 10   and name C   )
       ( resid 11   and name N   )   -1.323  0.6000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 13   and name C   )
       ( resid 14   and name N   )   -0.713  0.6000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 14   and name C   )
       ( resid 15   and name N   )    0.813  0.6000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 16   and name C   )
       ( resid 17   and name N   )   -0.305  0.6000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 18   and name C   )
       ( resid 19   and name N   )   -1.120  0.6000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 22   and name C   )
       ( resid 23   and name N   )   -0.916  0.6000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 23   and name C   )
       ( resid 24   and name N   )    0.308  0.6000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 24   and name C   )
       ( resid 25   and name N   )    3.866  1.0000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 25   and name C   )
       ( resid 26   and name N   )   -0.814  1.0000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 27   and name C   )
       ( resid 28   and name N   )   -0.001  0.6000

assign ( resid 500  and name OO  )   !high T1/T2 and conf exch
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 28   and name C   )
       ( resid 29   and name N   )   -1.119  0.6000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 30   and name C   )
       ( resid 31   and name N   )   -1.933  0.6000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 31   and name C   )
       ( resid 32   and name N   )   -2.340  0.6000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 38   and name C   )
       ( resid 39   and name N   )    3.255  0.6000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 43   and name C   )
       ( resid 44   and name N   )   -3.358  0.6000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 45   and name C   )
       ( resid 46   and name N   )   -1.323  0.6000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 46   and name C   )
       ( resid 47   and name N   )    3.052  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 47   and name C   )
       ( resid 48   and name N   )    2.184  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 49   and name C   )
       ( resid 50   and name N   )    0.102  0.6000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 50   and name C   )
       ( resid 51   and name N   )   -1.730  0.6000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 59   and name C   )
       ( resid 60   and name N   )    1.831  0.6000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 62   and name C   )
       ( resid 63   and name N   )   -0.305  0.6000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 73   and name C   )
       ( resid 74   and name N   )   -3.357  0.6000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 77   and name C   )
       ( resid 78   and name N   )   -3.462  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 78   and name C   )
       ( resid 79   and name N   )   -0.713  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 79   and name C   )
       ( resid 80   and name N   )    2.922  0.6000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 81   and name C   )
       ( resid 82   and name N   )   -3.968  0.6000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 84   and name C   )
       ( resid 85   and name N   )    0.305  0.6000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 85   and name C   )
       ( resid 86   and name N   )   -1.933  0.6000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 88   and name C   )
       ( resid 89   and name N   )    2.543  0.6000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 89   and name C   )
       ( resid 90   and name N   )   -3.866  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 90   and name C   )
       ( resid 91   and name N   )   -0.509  0.6000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 91   and name C   )
       ( resid 92   and name N   )    2.339  0.6000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 98   and name C   )
       ( resid 99   and name N   )    0.509  0.6000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 101  and name C   )
       ( resid 102  and name N   )   -1.726  0.6000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 105  and name C   )
       ( resid 106  and name N   )   -1.017  0.6000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 107  and name C   )
       ( resid 108  and name N   )   -0.088  1.2000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 109  and name C   )
       ( resid 110  and name N   )    2.339  0.6000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 111  and name C   )
       ( resid 112  and name N   )   -1.628  0.6000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 114  and name C   )
       ( resid 115  and name N   )   -1.831  1.0000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 120  and name C   )
       ( resid 121  and name N   )    0.305  0.6000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 121  and name C   )
       ( resid 122  and name N   )   -1.017  0.6000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 123  and name C   )
       ( resid 124  and name N   )   -0.504  1.5000

!! 1DcaC'

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  6   and name C   )
       ( resid  6   and name CA  )   -0.704  0.8000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  11  and name C   )
       ( resid  11  and name CA  )    2.331  0.8000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  12  and name C   )
       ( resid  12  and name CA  )    5.101  0.8000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  13  and name C   )
       ( resid  13  and name CA  )    5.882  0.8000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  15  and name C   )
       ( resid  15  and name CA  )    0.132  0.8000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  16  and name C   )
       ( resid  16  and name CA  )   -1.302  0.8000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  18  and name C   )
       ( resid  18  and name CA  )    6.603  0.8000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  21  and name C   )
       ( resid  21  and name CA  )   -0.919  0.8000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  24  and name C   )
       ( resid  24  and name CA  )    0.050  0.8000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  25  and name C   )
       ( resid  25  and name CA  )    2.820  0.8000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  29  and name C   )
       ( resid  29  and name CA  )    4.906  1.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  30  and name C   )
       ( resid  30  and name CA  )    1.090  0.8000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  31  and name C   )
       ( resid  31  and name CA  )   -0.077  0.8000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  33  and name C   )
       ( resid  33  and name CA  )   -5.610  0.8000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  34  and name C   )
       ( resid  34  and name CA  )    4.991  0.8000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  43  and name C   )
       ( resid  43  and name CA  )   -4.638  0.8000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  51  and name C   )
       ( resid  51  and name CA  )    0.428  0.8000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  53  and name C   )
       ( resid  53  and name CA  )    2.836  1.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  59  and name C   )
       ( resid  59  and name CA  )   -3.291  1.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  80  and name C   )
       ( resid  80  and name CA  )   -4.561  0.8000
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  81  and name C   )
       ( resid  81  and name CA  )    0.708  0.8000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  86  and name C   )
       ( resid  86  and name CA  )    1.832  0.8000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  90  and name C   )
       ( resid  90  and name CA  )   -0.943  0.8000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  92  and name C   )
       ( resid  92  and name CA  )    3.632  0.8000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 111  and name C   )
       ( resid 111  and name CA  )    5.082  0.8000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 112  and name C   )
       ( resid 112  and name CA  )   -8.533  0.8000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 113  and name C   )
       ( resid 113  and name CA  )   -2.613  0.8000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 115  and name C   )
       ( resid 115  and name CA  )   -0.596  0.8000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 120  and name C   )
       ( resid 120  and name CA  )    6.570  0.8000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 121  and name C   )
       ( resid 121  and name CA  )   -3.029  0.8000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 124  and name C   )
       ( resid 124  and name CA  )   -0.693  0.8000


!! { Secondary 13C Shifts }

!13Ca and 13Cb chemical shifts as XPLOR restraints

!C1
assign (resid   0 and name c ) (resid   1 and name n )
       (resid   1 and name ca) (resid   1 and name c )
       (resid   2 and name n )                            56.77  44.27
!T2
assign (resid   1 and name c ) (resid   2 and name n )
       (resid   2 and name ca) (resid   2 and name c )
       (resid   3 and name n )                            61.2   69.5
!V4
assign (resid   3 and name c ) (resid   4 and name n )
       (resid   4 and name ca) (resid   4 and name c )
       (resid   5 and name n )                            58.6   32.75
!P5
assign (resid   4 and name c ) (resid   5 and name n )
       (resid   5 and name ca) (resid   5 and name c )
       (resid   6 and name n )                            60.99  30.48
!P6
assign (resid   5 and name c ) (resid   6 and name n )
       (resid   6 and name ca) (resid   6 and name c )
       (resid   7 and name n )                            61.2   31.8
!H7
assign (resid   6 and name c ) (resid   7 and name n )
       (resid   7 and name ca) (resid   7 and name c )
       (resid   8 and name n )                            54.9   29.9
!P8
assign (resid   7 and name c ) (resid   8 and name n )
       (resid   8 and name ca) (resid   8 and name c )
       (resid   9 and name n )                            65.7   30.9
!Q9
assign (resid   8 and name c ) (resid   9 and name n )
       (resid   9 and name ca) (resid   9 and name c )
       (resid  10 and name n )                            58.6   28.05
!T10
assign (resid   9 and name c ) (resid  10 and name n )
       (resid  10 and name ca) (resid  10 and name c )
       (resid  11 and name n )                            65.4   68.3
!A11
assign (resid  10 and name c ) (resid  11 and name n )
       (resid  11 and name ca) (resid  11 and name c )
       (resid  12 and name n )                            54.3   18.45
!F12
assign (resid  11 and name c ) (resid  12 and name n )
       (resid  12 and name ca) (resid  12 and name c )
       (resid  13 and name n )                            62.0   39.4
!N14
assign (resid  13 and name c ) (resid  14 and name n )
       (resid  14 and name ca) (resid  14 and name c )
       (resid  15 and name n )                            53.4   38.7
!S15
assign (resid  14 and name c ) (resid  15 and name n )
       (resid  15 and name ca) (resid  15 and name c )
       (resid  16 and name n )                            59.3   63.65
!D16
assign (resid  15 and name c ) (resid  16 and name n )
       (resid  16 and name ca) (resid  16 and name c )
       (resid  17 and name n )                            55.9   43.15
! L17
assign (resid  16 and name c ) (resid  17 and name n )
       (resid  17 and name ca) (resid  17 and name c )
       (resid  18 and name n )                            52.8   46.1
!V18
assign (resid  17 and name c ) (resid  18 and name n )
       (resid  18 and name ca) (resid  18 and name c )
       (resid  19 and name n )                            61.2   33.0
!I19
assign (resid  18 and name c ) (resid  19 and name n )
       (resid  19 and name ca) (resid  19 and name c )
       (resid  20 and name n )                            58.5   42.25
!R20
assign (resid  19 and name c ) (resid  20 and name n )
       (resid  20 and name ca) (resid  20 and name c )
       (resid  21 and name n )                            53.9   33.75
!A21
assign (resid  20 and name c ) (resid  21 and name n )
       (resid  21 and name ca) (resid  21 and name c )
       (resid  22 and name n )                            50.9   24.3
!K22
assign (resid  21 and name c ) (resid  22 and name n )
       (resid  22 and name ca) (resid  22 and name c )
       (resid  23 and name n )                            54.55  34.3
!F23
assign (resid  22 and name c ) (resid  23 and name n )
       (resid  23 and name ca) (resid  23 and name c )
       (resid  24 and name n )                            58.1   38.8
!V24
assign (resid  23 and name c ) (resid  24 and name n )
       (resid  24 and name ca) (resid  24 and name c )
       (resid  25 and name n )                            61.75  32.3
!G25
assign (resid  24 and name c ) (resid  25 and name n )
       (resid  25 and name ca) (resid  25 and name c )
       (resid  26 and name n )                            45.1    0.0
!T26
assign (resid  25 and name c ) (resid  26 and name n )
       (resid  26 and name ca) (resid  26 and name c )
       (resid  27 and name n )                            59.6   68.8
!P27
assign (resid  26 and name c ) (resid  27 and name n )
       (resid  27 and name ca) (resid  27 and name c )
       (resid  28 and name n )                            62.5   30.4
!E28
assign (resid  27 and name c ) (resid  28 and name n )
       (resid  28 and name ca) (resid  28 and name c )
       (resid  29 and name n )                            54.2   31.6
!V29
assign (resid  28 and name c ) (resid  29 and name n )
       (resid  29 and name ca) (resid  29 and name c )
       (resid  30 and name n )                            62.6   32.8
!N30
assign (resid  29 and name c ) (resid  30 and name n )
       (resid  30 and name ca) (resid  30 and name c )
       (resid  31 and name n )                            52.1   39.0
!Q31
assign (resid  30 and name c ) (resid  31 and name n )
       (resid  31 and name ca) (resid  31 and name c )
       (resid  32 and name n )                            57.3   28.1
!T32
assign (resid  31 and name c ) (resid  32 and name n )
       (resid  32 and name ca) (resid  32 and name c )
       (resid  33 and name n )                            64.4   68.5
!T33
assign (resid  32 and name c ) (resid  33 and name n )
       (resid  33 and name ca) (resid  33 and name c )
       (resid  34 and name n )                            61.5   69.4
!L34
assign (resid  33 and name c ) (resid  34 and name n )
       (resid  34 and name ca) (resid  34 and name c )
       (resid  35 and name n )                            56.0   38.6
!Y35
assign (resid  34 and name c ) (resid  35 and name n )
       (resid  35 and name ca) (resid  35 and name c )
       (resid  36 and name n )                            57.5   40.9
!Q36
assign (resid  35 and name c ) (resid  36 and name n )
       (resid  36 and name ca) (resid  36 and name c )
       (resid  37 and name n )                            52.3   31.8
!R37
assign (resid  36 and name c ) (resid  37 and name n )
       (resid  37 and name ca) (resid  37 and name c )
       (resid  38 and name n )                            52.7   33.2
!Y38
assign (resid  37 and name c ) (resid  38 and name n )
       (resid  38 and name ca) (resid  38 and name c )
       (resid  39 and name n )                            56.3   39.9
!E39
assign (resid  38 and name c ) (resid  39 and name n )
       (resid  39 and name ca) (resid  39 and name c )
       (resid  40 and name n )                            55.5   28.8
!I40
assign (resid  39 and name c ) (resid  40 and name n )
       (resid  40 and name ca) (resid  40 and name c )
       (resid  41 and name n )                            58.0   43.05
!K41
assign (resid  40 and name c ) (resid  41 and name n )
       (resid  41 and name ca) (resid  41 and name c )
       (resid  42 and name n )                            53.3   33.9
!M42
assign (resid  41 and name c ) (resid  42 and name n )
       (resid  42 and name ca) (resid  42 and name c )
       (resid  43 and name n )                            56.2   33.7
!T43
assign (resid  42 and name c ) (resid  43 and name n )
       (resid  43 and name ca) (resid  43 and name c )
       (resid  44 and name n )                            61.6   68.2
!K44
assign (resid  43 and name c ) (resid  44 and name n )
       (resid  44 and name ca) (resid  44 and name c )
       (resid  45 and name n )                            55.15  35.8
!M45
assign (resid  44 and name c ) (resid  45 and name n )
       (resid  45 and name ca) (resid  45 and name c )
       (resid  46 and name n )                            54.9   34.65
!Y46
assign (resid  45 and name c ) (resid  46 and name n )
       (resid  46 and name ca) (resid  46 and name c )
       (resid  47 and name n )                            57.9   40.1
!K47
assign (resid  46 and name c ) (resid  47 and name n )
       (resid  47 and name ca) (resid  47 and name c )
       (resid  48 and name n )                            56.6   36.6
!G48
assign (resid  47 and name c ) (resid  48 and name n )
       (resid  48 and name ca) (resid  48 and name c )
       (resid  49 and name n )                            45.8    0.0
!F49
assign (resid  48 and name c ) (resid  49 and name n )
       (resid  49 and name ca) (resid  49 and name c )
       (resid  50 and name n )                            59.4   38.7
!Q50
assign (resid  49 and name c ) (resid  50 and name n )
       (resid  50 and name ca) (resid  50 and name c )
       (resid  51 and name n )                            57.4   27.5
!A51
assign (resid  50 and name c ) (resid  51 and name n )
       (resid  51 and name ca) (resid  51 and name c )
       (resid  52 and name n )                            53.3   18.9
!L52
assign (resid  51 and name c ) (resid  52 and name n )
       (resid  52 and name ca) (resid  52 and name c )
       (resid  53 and name n )                            54.7   43.0
!G53
assign (resid  52 and name c ) (resid  53 and name n )
       (resid  53 and name ca) (resid  53 and name c )
       (resid  54 and name n )                            45.3    0.0
!D54
assign (resid  53 and name c ) (resid  54 and name n )
       (resid  54 and name ca) (resid  54 and name c )
       (resid  55 and name n )                            54.8   40.6
!A55
assign (resid  54 and name c ) (resid  55 and name n )
       (resid  55 and name ca) (resid  55 and name c )
       (resid  56 and name n )                            51.7   18.4
!A56
assign (resid  55 and name c ) (resid  56 and name n )
       (resid  56 and name ca) (resid  56 and name c )
       (resid  57 and name n )                            52.6   19.5
!D57
assign (resid  56 and name c ) (resid  57 and name n )
       (resid  57 and name ca) (resid  57 and name c )
       (resid  58 and name n )                            53.1   41.6
!I58
assign (resid  57 and name c ) (resid  58 and name n )
       (resid  58 and name ca) (resid  58 and name c )
       (resid  59 and name n )                            60.3   38.0
!R59
assign (resid  58 and name c ) (resid  59 and name n )
       (resid  59 and name ca) (resid  59 and name c )
       (resid  60 and name n )                            55.4   32.4
!F60
assign (resid  59 and name c ) (resid  60 and name n )
       (resid  60 and name ca) (resid  60 and name c )
       (resid  61 and name n )                            55.6   45.1
!V61
assign (resid  60 and name c ) (resid  61 and name n )
       (resid  61 and name ca) (resid  61 and name c )
       (resid  62 and name n )                            59.6   34.7
!Y62
assign (resid  61 and name c ) (resid  62 and name n )
       (resid  62 and name ca) (resid  62 and name c )
       (resid  63 and name n )                            57.15  40.3
!T63
assign (resid  62 and name c ) (resid  63 and name n )
       (resid  63 and name ca) (resid  63 and name c )
       (resid  64 and name n )                            59.0   72.5
!P64
assign (resid  63 and name c ) (resid  64 and name n )
       (resid  64 and name ca) (resid  64 and name c )
       (resid  65 and name n )                            64.1   32.3
!A65
assign (resid  64 and name c ) (resid  65 and name n )
       (resid  65 and name ca) (resid  65 and name c )
       (resid  66 and name n )                            52.1   18.7
!M66
assign (resid  65 and name c ) (resid  66 and name n )
       (resid  66 and name ca) (resid  66 and name c )
       (resid  67 and name n )                            54.0   34.75
!V69
assign (resid  68 and name c ) (resid  69 and name n )
       (resid  69 and name ca) (resid  69 and name c )
       (resid  70 and name n )                            60.1   29.4
!G71
assign (resid  70 and name c ) (resid  71 and name n )
       (resid  71 and name ca) (resid  71 and name c )
       (resid  72 and name n )                            47.35   0.0
!Y72
assign (resid  71 and name c ) (resid  72 and name n )
       (resid  72 and name ca) (resid  72 and name c )
       (resid  73 and name n )                            58.1   39.65
!F73
assign (resid  72 and name c ) (resid  73 and name n )
       (resid  73 and name ca) (resid  73 and name c )
       (resid  74 and name n )                            56.1   38.4
!H74
assign (resid  73 and name c ) (resid  74 and name n )
       (resid  74 and name ca) (resid  74 and name c )
       (resid  75 and name n )                            56.4   32.0
!R75
assign (resid  74 and name c ) (resid  75 and name n )
       (resid  75 and name ca) (resid  75 and name c )
       (resid  76 and name n )                            55.4   30.5
!S76
assign (resid  75 and name c ) (resid  76 and name n )
       (resid  76 and name ca) (resid  76 and name c )
       (resid  77 and name n )                            56.5   63.3
!H77
assign (resid  76 and name c ) (resid  77 and name n )
       (resid  77 and name ca) (resid  77 and name c )
       (resid  78 and name n )                            54.9   29.1
!N78
assign (resid  77 and name c ) (resid  78 and name n )
       (resid  78 and name ca) (resid  78 and name c )
       (resid  79 and name n )                            51.9   38.2
!R79
assign (resid  78 and name c ) (resid  79 and name n )
       (resid  79 and name ca) (resid  79 and name c )
       (resid  80 and name n )                            58.15  29.7
!S80
assign (resid  79 and name c ) (resid  80 and name n )
       (resid  80 and name ca) (resid  80 and name c )
       (resid  81 and name n )                            58.7   63.5
!E81
assign (resid  80 and name c ) (resid  81 and name n )
       (resid  81 and name ca) (resid  81 and name c )
       (resid  82 and name n )                            58.65  30.9
!E82
assign (resid  81 and name c ) (resid  82 and name n )
       (resid  82 and name ca) (resid  82 and name c )
       (resid  83 and name n )                            56.3   31.7
!F83
assign (resid  82 and name c ) (resid  83 and name n )
       (resid  83 and name ca) (resid  83 and name c )
       (resid  84 and name n )                            57.5   41.8
!L84
assign (resid  83 and name c ) (resid  84 and name n )
       (resid  84 and name ca) (resid  84 and name c )
       (resid  85 and name n )                            51.8   43.1
!I85
assign (resid  84 and name c ) (resid  85 and name n )
       (resid  85 and name ca) (resid  85 and name c )
       (resid  86 and name n )                            61.0   41.5
!A86
assign (resid  85 and name c ) (resid  86 and name n )
       (resid  86 and name ca) (resid  86 and name c )
       (resid  87 and name n )                            50.1   19.8
!G87
assign (resid  86 and name c ) (resid  87 and name n )
       (resid  87 and name ca) (resid  87 and name c )
       (resid  88 and name n )                            44.6    0.0
!K88
assign (resid  87 and name c ) (resid  88 and name n )
       (resid  88 and name ca) (resid  88 and name c )
       (resid  89 and name n )                            54.0   35.45
!L89
assign (resid  88 and name c ) (resid  89 and name n )
       (resid  89 and name ca) (resid  89 and name c )
       (resid  90 and name n )                            53.4   43.2
!Q90
assign (resid  89 and name c ) (resid  90 and name n )
       (resid  90 and name ca) (resid  90 and name c )
       (resid  91 and name n )                            54.6   30.5
!D91
assign (resid  90 and name c ) (resid  91 and name n )
       (resid  91 and name ca) (resid  91 and name c )
       (resid  92 and name n )                            55.2   39.5
!G92
assign (resid  91 and name c ) (resid  92 and name n )
       (resid  92 and name ca) (resid  92 and name c )
       (resid  93 and name n )                            45.2    0.0
!L93
assign (resid  92 and name c ) (resid  93 and name n )
       (resid  93 and name ca) (resid  93 and name c )
       (resid  94 and name n )                            52.65  42.2
!L94
assign (resid  93 and name c ) (resid  94 and name n )
       (resid  94 and name ca) (resid  94 and name c )
       (resid  95 and name n )                            55.0   41.4
!H95
assign (resid  94 and name c ) (resid  95 and name n )
       (resid  95 and name ca) (resid  95 and name c )
       (resid  96 and name n )                            55.3   33.45
!I96
assign (resid  95 and name c ) (resid  96 and name n )
       (resid  96 and name ca) (resid  96 and name c )
       (resid  97 and name n )                            59.2   42.9
!T97
assign (resid  96 and name c ) (resid  97 and name n )
       (resid  97 and name ca) (resid  97 and name c )
       (resid  98 and name n )                            60.7   73.0
!T98
assign (resid  97 and name c ) (resid  98 and name n )
       (resid  98 and name ca) (resid  98 and name c )
       (resid  99 and name n )                            64.6   67.7
!S100
assign (resid  99 and name c ) (resid 100 and name n )
       (resid 100 and name ca) (resid 100 and name c )
       (resid 101 and name n )                            58.1   62.55
!F101
assign (resid 100 and name c ) (resid 101 and name n )
       (resid 101 and name ca) (resid 101 and name c )
       (resid 102 and name n )                            59.6   39.7
!V102
assign (resid 101 and name c ) (resid 102 and name n )
       (resid 102 and name ca) (resid 102 and name c )
       (resid 103 and name n )                            60.3   34.9
!A103
assign (resid 102 and name c ) (resid 103 and name n )
       (resid 103 and name ca) (resid 103 and name c )
       (resid 104 and name n )                            49.8   21.2
!P104
assign (resid 103 and name c ) (resid 104 and name n )
       (resid 104 and name ca) (resid 104 and name c )
       (resid 105 and name n )                            62.2   30.7
!W105
assign (resid 104 and name c ) (resid 105 and name n )
       (resid 105 and name ca) (resid 105 and name c )
       (resid 106 and name n )                            59.95  30.15
!N106
assign (resid 105 and name c ) (resid 106 and name n )
       (resid 106 and name ca) (resid 106 and name c )
       (resid 107 and name n )                            54.0   37.1
!S107
assign (resid 106 and name c ) (resid 107 and name n )
       (resid 107 and name ca) (resid 107 and name c )
       (resid 108 and name n )                            58.75  63.9
!L108
assign (resid 107 and name c ) (resid 108 and name n )
       (resid 108 and name ca) (resid 108 and name c )
       (resid 109 and name n )                            53.9   41.7
!S109
assign (resid 108 and name c ) (resid 109 and name n )
       (resid 109 and name ca) (resid 109 and name c )
       (resid 110 and name n )                            56.6   64.75
!L110
assign (resid 109 and name c ) (resid 110 and name n )
       (resid 110 and name ca) (resid 110 and name c )
       (resid 111 and name n )                            58.6   40.5
!A111
assign (resid 110 and name c ) (resid 111 and name n )
       (resid 111 and name ca) (resid 111 and name c )
       (resid 112 and name n )                            54.8   18.0
!Q112
assign (resid 111 and name c ) (resid 112 and name n )
       (resid 112 and name ca) (resid 112 and name c )
       (resid 113 and name n )                            57.6   28.2
!R113
assign (resid 112 and name c ) (resid 113 and name n )
       (resid 113 and name ca) (resid 113 and name c )
       (resid 114 and name n )                            60.4   30.1
!R114
assign (resid 113 and name c ) (resid 114 and name n )
       (resid 114 and name ca) (resid 114 and name c )
       (resid 115 and name n )                            58.5   29.6
!G115
assign (resid 114 and name c ) (resid 115 and name n )
       (resid 115 and name ca) (resid 115 and name c )
       (resid 116 and name n )                            44.2    0.0
!F116
assign (resid 115 and name c ) (resid 116 and name n )
       (resid 116 and name ca) (resid 116 and name c )
       (resid 117 and name n )                            62.9   38.3
!T117
assign (resid 116 and name c ) (resid 117 and name n )
       (resid 117 and name ca) (resid 117 and name c )
       (resid 118 and name n )                            64.3   69.4
!K118
assign (resid 117 and name c ) (resid 118 and name n )
       (resid 118 and name ca) (resid 118 and name c )
       (resid 119 and name n )                            58.8   36.2
!T119
assign (resid 118 and name c ) (resid 119 and name n )
       (resid 119 and name ca) (resid 119 and name c )
       (resid 120 and name n )                            64.8   68.5
!Y120
assign (resid 119 and name c ) (resid 120 and name n )
       (resid 120 and name ca) (resid 120 and name c )
       (resid 121 and name n )                            56.05  34.9
!T121
assign (resid 120 and name c ) (resid 121 and name n )
       (resid 121 and name ca) (resid 121 and name c )
       (resid 122 and name n )                            64.7   68.3
!V122
assign (resid 121 and name c ) (resid 122 and name n )
       (resid 122 and name ca) (resid 122 and name c )
       (resid 123 and name n )                            63.25  31.25
!G123
assign (resid 122 and name c ) (resid 123 and name n )
       (resid 123 and name ca) (resid 123 and name c )
       (resid 124 and name n )                            45.1    0.0
!E125
assign (resid 124 and name c ) (resid 125 and name n )
       (resid 125 and name ca) (resid 125 and name c )
       (resid 126 and name n )                            56.4   30.1



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    CYS   1          1HT       CYS   1  -9.570  15.374   4.008
    2   2H    CYS   1          2HT       CYS   1  -9.448  15.613   2.313
    3   3H    CYS   1          3HT       CYS   1  -8.245  16.248   3.360
    4    HA   CYS   1           HA       CYS   1  -7.871  13.883   4.067
    5   1HB   CYS   1          1HB       CYS   1  -9.085  12.288   3.070
    6   2HB   CYS   1          1HB       CYS   1 -10.052  13.553   2.339
    7    H    THR   2           H        THR   2  -7.952  15.462   0.924
    8    HA   THR   2           HA       THR   2  -5.657  14.353  -0.117
    9    HB   THR   2           HB       THR   2  -5.629  16.246  -1.679
   10    HG1  THR   2          1HG       THR   2  -7.316  17.384   0.265
   11   1HG2  THR   2          1HG2      THR   2  -8.194  16.297  -2.188
   12   2HG2  THR   2          2HG2      THR   2  -8.234  14.986  -1.009
   13   3HG2  THR   2          3HG2      THR   2  -7.243  14.837  -2.460
   14    H    CYS   3           H        CYS   3  -4.095  14.296   1.599
   15    HA   CYS   3           HA       CYS   3  -2.972  16.860   2.444
   16   1HB   CYS   3          1HB       CYS   3  -2.387  15.813   4.372
   17   2HB   CYS   3          1HB       CYS   3  -3.591  14.652   3.882
   18    H    VAL   4           H        VAL   4  -0.403  16.240   3.005
   19    HA   VAL   4           HA       VAL   4   0.728  15.750   0.345
   20    HB   VAL   4           HB       VAL   4   1.274  17.929   1.125
   21   1HG1  VAL   4          1HG1      VAL   4   2.849  17.727   3.373
   22   2HG1  VAL   4          2HG1      VAL   4   1.532  16.600   3.694
   23   3HG1  VAL   4          3HG1      VAL   4   1.178  18.286   3.320
   24   1HG2  VAL   4          1HG2      VAL   4   3.799  17.760   1.454
   25   2HG2  VAL   4          2HG2      VAL   4   3.120  17.095  -0.028
   26   3HG2  VAL   4          3HG2      VAL   4   3.579  16.019   1.294
   27    HA   PRO   5           HA       PRO   5   2.547  11.851   1.336
   28   1HB   PRO   5          1HB       PRO   5   5.072  13.181   0.402
   29   2HB   PRO   5          1HB       PRO   5   4.452  11.565   0.029
   30   1HG   PRO   5          1HG       PRO   5   4.118  13.481  -1.742
   31   2HG   PRO   5          1HG       PRO   5   2.758  12.402  -1.366
   32   1HD   PRO   5          1HD       PRO   5   3.237  15.216  -0.501
   33   2HD   PRO   5          1HD       PRO   5   1.709  14.433  -0.934
   34    HA   PRO   6           HA       PRO   6   4.216  13.046   5.344
   35   1HB   PRO   6          1HB       PRO   6   3.185  10.655   6.471
   36   2HB   PRO   6          1HB       PRO   6   2.495  12.274   6.560
   37   1HG   PRO   6          1HG       PRO   6   1.382  10.108   5.210
   38   2HG   PRO   6          1HG       PRO   6   0.952  11.809   4.965
   39   1HD   PRO   6          1HD       PRO   6   2.743  10.054   3.348
   40   2HD   PRO   6          1HD       PRO   6   1.645  11.349   2.825
   41    H    HIS   7           H        HIS   7   6.110  12.665   6.328
   42    HA   HIS   7           HA       HIS   7   8.175  11.403   5.482
   43   1HB   HIS   7          1HB       HIS   7   7.419  11.214   8.397
   44   2HB   HIS   7          1HB       HIS   7   9.047  11.214   7.729
   45    HD1  HIS   7          1HD       HIS   7   8.511  13.623   5.726
   46    HD2  HIS   7          2HD       HIS   7   7.691  13.584   9.799
   47    HE1  HIS   7          1HE       HIS   7   8.473  16.038   6.425
   48    HE2  HIS   7          2HE       HIS   7   7.899  15.992   8.879
   49    HA   PRO   8           HA       PRO   8   7.350   7.048   5.078
   50   1HB   PRO   8          1HB       PRO   8   9.883   6.298   4.526
   51   2HB   PRO   8          1HB       PRO   8   8.844   7.090   3.333
   52   1HG   PRO   8          1HG       PRO   8  10.849   8.314   5.173
   53   2HG   PRO   8          1HG       PRO   8  10.718   8.528   3.418
   54   1HD   PRO   8          1HD       PRO   8   9.718  10.366   5.056
   55   2HD   PRO   8          1HD       PRO   8   8.778   9.847   3.637
   56    H    GLN   9           H        GLN   9   9.649   8.565   7.293
   57    HA   GLN   9           HA       GLN   9  10.367   6.272   8.758
   58   1HB   GLN   9          1HB       GLN   9  11.498   7.953   9.783
   59   2HB   GLN   9          1HB       GLN   9  10.529   9.159   8.988
   60   1HG   GLN   9          1HG       GLN   9  10.040   9.760  11.082
   61   2HG   GLN   9          1HG       GLN   9   8.878   8.446  11.011
   62   1HE2  GLN   9          1HE2      GLN   9   9.367   6.482  12.034
   63   2HE2  GLN   9          2HE2      GLN   9  10.573   6.384  13.267
   64    H    THR  10           H        THR  10   8.000   8.757   9.305
   65    HA   THR  10           HA       THR  10   6.398   7.404  11.045
   66    HB   THR  10           HB       THR  10   5.848   9.644   9.111
   67    HG1  THR  10          1HG       THR  10   6.164  10.881  10.840
   68   1HG2  THR  10          1HG2      THR  10   3.682   9.777   9.545
   69   2HG2  THR  10          2HG2      THR  10   3.935   9.494  11.268
   70   3HG2  THR  10          3HG2      THR  10   3.788   8.128  10.165
   71    H    ALA  11           H        ALA  11   5.886   7.620   7.432
   72    HA   ALA  11           HA       ALA  11   3.612   6.029   7.412
   73   1HB   ALA  11          1HB       ALA  11   5.507   5.912   5.155
   74   2HB   ALA  11          2HB       ALA  11   4.828   7.481   5.606
   75   3HB   ALA  11          3HB       ALA  11   3.757   6.144   5.168
   76    H    PHE  12           H        PHE  12   7.026   5.042   7.092
   77    HA   PHE  12           HA       PHE  12   6.396   2.335   6.557
   78   1HB   PHE  12          1HB       PHE  12   8.683   3.619   6.301
   79   2HB   PHE  12          1HB       PHE  12   8.945   3.058   7.951
   80    HD1  PHE  12          1HD       PHE  12   9.684   2.310   4.708
   81    HD2  PHE  12          2HD       PHE  12   8.124   0.449   8.198
   82    HE1  PHE  12          1HE       PHE  12  10.395   0.114   3.851
   83    HE2  PHE  12          2HE       PHE  12   8.834  -1.744   7.345
   84    HZ   PHE  12           HZ       PHE  12   9.971  -1.917   5.172
   85    H    CYS  13           H        CYS  13   7.659   3.844   9.472
   86    HA   CYS  13           HA       CYS  13   7.312   1.562  11.066
   87   1HB   CYS  13          1HB       CYS  13   7.999   4.415  11.575
   88   2HB   CYS  13          1HB       CYS  13   7.579   3.388  12.938
   89    H    ASN  14           H        ASN  14   5.339   4.597  10.922
   90    HA   ASN  14           HA       ASN  14   3.598   3.739  12.914
   91   1HB   ASN  14          1HB       ASN  14   3.763   5.988  11.303
   92   2HB   ASN  14          1HB       ASN  14   2.222   5.268  10.851
   93   1HD2  ASN  14          1HD2      ASN  14   0.591   5.102  12.390
   94   2HD2  ASN  14          2HD2      ASN  14   0.628   5.995  13.869
   95    H    SER  15           H        SER  15   3.506   3.034   9.373
   96    HA   SER  15           HA       SER  15   1.026   1.738   9.504
   97   1HB   SER  15          1HB       SER  15   2.710   2.580   7.481
   98   2HB   SER  15          1HB       SER  15   2.707   0.833   7.355
   99    HG   SER  15           HG       SER  15   0.407   2.491   7.444
  100    H    ASP  16           H        ASP  16   0.594  -0.160   9.503
  101    HA   ASP  16           HA       ASP  16   2.352  -2.109  10.684
  102   1HB   ASP  16          1HB       ASP  16  -0.545  -1.717  10.453
  103   2HB   ASP  16          1HB       ASP  16   0.054  -3.317  10.868
  104    H    LEU  17           H        LEU  17   1.847  -1.433   7.668
  105    HA   LEU  17           HA       LEU  17   2.689  -3.912   6.789
  106   1HB   LEU  17          1HB       LEU  17  -0.218  -3.631   6.665
  107   2HB   LEU  17          1HB       LEU  17   0.539  -4.206   5.184
  108    HG   LEU  17           HG       LEU  17   1.781  -5.628   7.258
  109   1HD1  LEU  17          1HD1      LEU  17  -0.681  -6.675   7.863
  110   2HD1  LEU  17          2HD1      LEU  17  -0.929  -4.933   7.980
  111   3HD1  LEU  17          3HD1      LEU  17   0.330  -5.713   8.930
  112   1HD2  LEU  17          1HD2      LEU  17   1.466  -6.587   5.147
  113   2HD2  LEU  17          2HD2      LEU  17  -0.280  -6.348   5.212
  114   3HD2  LEU  17          3HD2      LEU  17   0.486  -7.541   6.259
  115    H    VAL  18           H        VAL  18   3.948  -3.607   5.122
  116    HA   VAL  18           HA       VAL  18   3.271  -1.517   3.183
  117    HB   VAL  18           HB       VAL  18   6.103  -1.913   4.116
  118   1HG1  VAL  18          1HG1      VAL  18   5.963   0.648   3.387
  119   2HG1  VAL  18          2HG1      VAL  18   4.628   0.021   2.427
  120   3HG1  VAL  18          3HG1      VAL  18   6.242  -0.659   2.238
  121   1HG2  VAL  18          1HG2      VAL  18   5.882  -0.745   6.003
  122   2HG2  VAL  18          2HG2      VAL  18   4.142  -0.963   5.849
  123   3HG2  VAL  18          3HG2      VAL  18   4.905   0.493   5.217
  124    H    ILE  19           H        ILE  19   3.531  -2.280   1.123
  125    HA   ILE  19           HA       ILE  19   5.528  -4.299   0.596
  126    HB   ILE  19           HB       ILE  19   3.914  -5.860  -0.362
  127   1HG1  ILE  19          1HG1      ILE  19   2.167  -4.139  -0.880
  128   2HG1  ILE  19          1HG1      ILE  19   1.533  -5.599  -0.134
  129   1HG2  ILE  19          1HG2      ILE  19   4.500  -5.655   2.243
  130   2HG2  ILE  19          2HG2      ILE  19   3.507  -6.935   1.559
  131   3HG2  ILE  19          3HG2      ILE  19   2.744  -5.543   2.319
  132   1HD1  ILE  19          1HD1      ILE  19   1.905  -2.895   1.114
  133   2HD1  ILE  19          2HD1      ILE  19   1.589  -4.349   2.059
  134   3HD1  ILE  19          3HD1      ILE  19   0.411  -3.793   0.870
  135    H    ARG  20           H        ARG  20   5.881  -4.630  -1.558
  136    HA   ARG  20           HA       ARG  20   4.895  -2.513  -3.299
  137   1HB   ARG  20          1HB       ARG  20   6.791  -2.677  -4.607
  138   2HB   ARG  20          1HB       ARG  20   7.436  -3.117  -3.043
  139   1HG   ARG  20          1HG       ARG  20   7.784  -5.281  -3.655
  140   2HG   ARG  20          1HG       ARG  20   6.482  -5.283  -4.823
  141   1HD   ARG  20          1HD       ARG  20   8.206  -3.412  -5.848
  142   2HD   ARG  20          1HD       ARG  20   9.295  -4.613  -5.170
  143    HE   ARG  20           HE       ARG  20   7.171  -5.546  -6.943
  144   1HH1  ARG  20          1HH1      ARG  20  10.556  -4.828  -6.467
  145   2HH1  ARG  20          2HH1      ARG  20  11.075  -5.755  -7.832
  146   1HH2  ARG  20          1HH2      ARG  20   7.882  -6.773  -8.764
  147   2HH2  ARG  20          2HH2      ARG  20   9.567  -6.854  -9.124
  148    H    ALA  21           H        ALA  21   3.789  -2.877  -5.002
  149    HA   ALA  21           HA       ALA  21   3.252  -5.551  -6.013
  150   1HB   ALA  21          1HB       ALA  21   0.744  -5.338  -5.559
  151   2HB   ALA  21          2HB       ALA  21   1.216  -4.143  -4.350
  152   3HB   ALA  21          3HB       ALA  21   1.813  -5.794  -4.233
  153    H    LYS  22           H        LYS  22   1.449  -5.705  -7.449
  154    HA   LYS  22           HA       LYS  22   1.293  -3.437  -9.330
  155   1HB   LYS  22          1HB       LYS  22   1.684  -6.349  -9.650
  156   2HB   LYS  22          1HB       LYS  22   0.591  -5.614 -10.802
  157   1HG   LYS  22          1HG       LYS  22   2.302  -4.259 -11.673
  158   2HG   LYS  22          1HG       LYS  22   3.354  -4.561 -10.286
  159   1HD   LYS  22          1HD       LYS  22   2.479  -6.930 -11.812
  160   2HD   LYS  22          1HD       LYS  22   3.588  -5.840 -12.635
  161   1HE   LYS  22          1HE       LYS  22   5.266  -6.784 -11.546
  162   2HE   LYS  22          1HE       LYS  22   4.593  -6.162 -10.038
  163   1HZ   LYS  22          1HZ       LYS  22   3.702  -8.159  -9.507
  164   2HZ   LYS  22          2HZ       LYS  22   4.967  -8.733 -10.471
  165   3HZ   LYS  22          3HZ       LYS  22   3.408  -8.601 -11.112
  166    H    PHE  23           H        PHE  23  -0.810  -2.982 -10.207
  167    HA   PHE  23           HA       PHE  23  -3.021  -4.112  -8.620
  168   1HB   PHE  23          1HB       PHE  23  -2.699  -1.631 -10.293
  169   2HB   PHE  23          1HB       PHE  23  -4.310  -2.258  -9.961
  170    HD1  PHE  23          1HD       PHE  23  -5.345  -1.915  -7.880
  171    HD2  PHE  23          2HD       PHE  23  -1.237  -0.940  -8.397
  172    HE1  PHE  23          1HE       PHE  23  -5.354  -0.754  -5.713
  173    HE2  PHE  23          2HE       PHE  23  -1.235   0.223  -6.228
  174    HZ   PHE  23           HZ       PHE  23  -3.296   0.313  -4.882
  175    H    VAL  24           H        VAL  24  -4.095  -5.646  -9.269
  176    HA   VAL  24           HA       VAL  24  -4.573  -6.006 -12.124
  177    HB   VAL  24           HB       VAL  24  -4.387  -8.514 -11.425
  178   1HG1  VAL  24          1HG1      VAL  24  -2.536  -8.605 -12.709
  179   2HG1  VAL  24          2HG1      VAL  24  -1.743  -7.303 -11.821
  180   3HG1  VAL  24          3HG1      VAL  24  -2.983  -6.927 -13.018
  181   1HG2  VAL  24          1HG2      VAL  24  -3.321  -9.076  -9.600
  182   2HG2  VAL  24          2HG2      VAL  24  -3.575  -7.413  -9.079
  183   3HG2  VAL  24          3HG2      VAL  24  -2.080  -7.869  -9.887
  184    H    GLY  25           H        GLY  25  -6.425  -4.897 -10.435
  185   1HA   GLY  25          2HA       GLY  25  -8.673  -6.551 -10.840
  186   2HA   GLY  25          1HA       GLY  25  -8.269  -6.522  -9.137
  187    H    THR  26           H        THR  26 -10.678  -5.529 -10.034
  188    HA   THR  26           HA       THR  26 -10.377  -2.626 -10.089
  189    HB   THR  26           HB       THR  26 -11.753  -3.760 -11.796
  190    HG1  THR  26          1HG       THR  26 -12.276  -1.641 -11.253
  191   1HG2  THR  26          1HG2      THR  26 -13.153  -4.816  -9.427
  192   2HG2  THR  26          2HG2      THR  26 -12.892  -5.534 -11.016
  193   3HG2  THR  26          3HG2      THR  26 -14.148  -4.316 -10.794
  194    HA   PRO  27           HA       PRO  27 -11.760  -2.059  -5.947
  195   1HB   PRO  27          1HB       PRO  27 -12.883   0.367  -6.017
  196   2HB   PRO  27          1HB       PRO  27 -11.153   0.124  -6.282
  197   1HG   PRO  27          1HG       PRO  27 -13.336   0.536  -8.288
  198   2HG   PRO  27          1HG       PRO  27 -11.716   1.247  -8.239
  199   1HD   PRO  27          1HD       PRO  27 -12.386  -0.884  -9.795
  200   2HD   PRO  27          1HD       PRO  27 -10.751  -0.593  -9.206
  201    H    GLU  28           H        GLU  28 -13.297  -3.075  -4.888
  202    HA   GLU  28           HA       GLU  28 -16.019  -3.138  -5.937
  203   1HB   GLU  28          1HB       GLU  28 -16.422  -4.939  -4.463
  204   2HB   GLU  28          1HB       GLU  28 -14.780  -5.179  -5.037
  205   1HG   GLU  28          1HG       GLU  28 -13.877  -4.856  -3.005
  206   2HG   GLU  28          1HG       GLU  28 -15.078  -3.667  -2.524
  207    H    VAL  29           H        VAL  29 -17.407  -1.532  -5.377
  208    HA   VAL  29           HA       VAL  29 -16.938  -0.217  -2.798
  209    HB   VAL  29           HB       VAL  29 -18.734   0.870  -4.914
  210   1HG1  VAL  29          1HG1      VAL  29 -18.277   2.995  -3.908
  211   2HG1  VAL  29          2HG1      VAL  29 -17.076   2.279  -2.841
  212   3HG1  VAL  29          3HG1      VAL  29 -18.776   1.865  -2.651
  213   1HG2  VAL  29          1HG2      VAL  29 -15.812   0.639  -4.987
  214   2HG2  VAL  29          2HG2      VAL  29 -16.434   2.261  -5.293
  215   3HG2  VAL  29          3HG2      VAL  29 -16.963   0.910  -6.295
  216    H    ASN  30           H        ASN  30 -18.191  -1.420  -1.232
  217    HA   ASN  30           HA       ASN  30 -20.902  -2.088  -1.819
  218   1HB   ASN  30          1HB       ASN  30 -19.307  -2.908   0.172
  219   2HB   ASN  30          1HB       ASN  30 -20.173  -1.631   1.021
  220   1HD2  ASN  30          1HD2      ASN  30 -21.870  -2.301   2.090
  221   2HD2  ASN  30          2HD2      ASN  30 -22.910  -3.603   1.641
  222    H    GLN  31           H        GLN  31 -22.766  -1.143  -0.973
  223    HA   GLN  31           HA       GLN  31 -22.713   1.763  -0.966
  224   1HB   GLN  31          1HB       GLN  31 -25.081  -0.054  -0.541
  225   2HB   GLN  31          1HB       GLN  31 -25.121   1.631  -1.055
  226   1HG   GLN  31          1HG       GLN  31 -23.818  -0.514  -2.687
  227   2HG   GLN  31          1HG       GLN  31 -25.539  -0.154  -2.813
  228   1HE2  GLN  31          1HE2      GLN  31 -22.310   1.047  -3.339
  229   2HE2  GLN  31          2HE2      GLN  31 -22.746   2.342  -4.395
  230    H    THR  32           H        THR  32 -22.508  -0.769   1.231
  231    HA   THR  32           HA       THR  32 -23.133   1.031   3.449
  232    HB   THR  32           HB       THR  32 -24.308  -1.632   2.722
  233    HG1  THR  32          1HG       THR  32 -25.879  -0.291   2.502
  234   1HG2  THR  32          1HG2      THR  32 -24.595  -0.675   5.541
  235   2HG2  THR  32          2HG2      THR  32 -23.314  -1.799   5.100
  236   3HG2  THR  32          3HG2      THR  32 -24.996  -2.242   4.843
  237    H    THR  33           H        THR  33 -20.642   0.818   2.747
  238    HA   THR  33           HA       THR  33 -19.496  -1.128   4.600
  239    HB   THR  33           HB       THR  33 -18.520  -1.805   2.644
  240    HG1  THR  33          1HG       THR  33 -16.511  -0.720   2.373
  241   1HG2  THR  33          1HG2      THR  33 -19.695   0.253   1.385
  242   2HG2  THR  33          2HG2      THR  33 -18.495  -0.787   0.629
  243   3HG2  THR  33          3HG2      THR  33 -18.009   0.752   1.326
  244    H    LEU  34           H        LEU  34 -18.970   1.834   2.748
  245    HA   LEU  34           HA       LEU  34 -18.323   3.902   3.594
  246   1HB   LEU  34          1HB       LEU  34 -18.029   2.342   6.046
  247   2HB   LEU  34          1HB       LEU  34 -16.794   3.524   5.787
  248    HG   LEU  34           HG       LEU  34 -19.747   4.110   5.741
  249   1HD1  LEU  34          1HD1      LEU  34 -18.218   3.471   7.957
  250   2HD1  LEU  34          2HD1      LEU  34 -19.751   4.344   7.956
  251   3HD1  LEU  34          3HD1      LEU  34 -18.229   5.235   7.938
  252   1HD2  LEU  34          1HD2      LEU  34 -17.800   5.529   4.565
  253   2HD2  LEU  34          2HD2      LEU  34 -17.678   6.181   6.204
  254   3HD2  LEU  34          3HD2      LEU  34 -19.206   6.281   5.328
  255    H    TYR  35           H        TYR  35 -16.897   1.020   3.025
  256    HA   TYR  35           HA       TYR  35 -14.461   2.263   2.054
  257   1HB   TYR  35          1HB       TYR  35 -13.252   0.113   2.916
  258   2HB   TYR  35          1HB       TYR  35 -13.440   1.536   3.907
  259    HD1  TYR  35          1HD       TYR  35 -15.285   1.619   5.581
  260    HD2  TYR  35          2HD       TYR  35 -14.065  -1.916   3.617
  261    HE1  TYR  35          1HE       TYR  35 -16.290   0.306   7.370
  262    HE2  TYR  35          2HE       TYR  35 -15.086  -3.278   5.397
  263    HH   TYR  35           HH       TYR  35 -17.193  -2.617   7.242
  264    H    GLN  36           H        GLN  36 -13.136   0.902   0.717
  265    HA   GLN  36           HA       GLN  36 -14.753  -0.962  -0.878
  266   1HB   GLN  36          1HB       GLN  36 -12.928   1.272  -1.742
  267   2HB   GLN  36          1HB       GLN  36 -13.640   0.096  -2.846
  268   1HG   GLN  36          1HG       GLN  36 -15.705   1.013  -2.680
  269   2HG   GLN  36          1HG       GLN  36 -15.428   1.623  -1.053
  270   1HE2  GLN  36          1HE2      GLN  36 -13.977   2.040  -4.266
  271   2HE2  GLN  36          2HE2      GLN  36 -13.943   3.766  -4.214
  272    H    ARG  37           H        ARG  37 -13.071  -1.891  -2.656
  273    HA   ARG  37           HA       ARG  37 -10.522  -2.513  -1.392
  274   1HB   ARG  37          1HB       ARG  37 -12.402  -4.672  -2.335
  275   2HB   ARG  37          1HB       ARG  37 -10.752  -4.921  -1.805
  276   1HG   ARG  37          1HG       ARG  37 -11.767  -5.446   0.108
  277   2HG   ARG  37          1HG       ARG  37 -11.728  -3.700   0.358
  278   1HD   ARG  37          1HD       ARG  37 -13.973  -3.504  -0.514
  279   2HD   ARG  37          1HD       ARG  37 -13.992  -5.225  -0.878
  280    HE   ARG  37           HE       ARG  37 -14.662  -5.574   1.256
  281   1HH1  ARG  37          1HH1      ARG  37 -12.895  -2.579   1.126
  282   2HH1  ARG  37          2HH1      ARG  37 -13.031  -2.268   2.813
  283   1HH2  ARG  37          1HH2      ARG  37 -14.900  -5.166   3.474
  284   2HH2  ARG  37          2HH2      ARG  37 -14.172  -3.761   4.157
  285    H    TYR  38           H        TYR  38  -8.953  -3.154  -2.735
  286    HA   TYR  38           HA       TYR  38  -9.517  -3.166  -5.649
  287   1HB   TYR  38          1HB       TYR  38  -7.531  -1.569  -4.117
  288   2HB   TYR  38          1HB       TYR  38  -6.905  -2.355  -5.554
  289    HD1  TYR  38          1HD       TYR  38  -8.264  -1.895  -7.755
  290    HD2  TYR  38          2HD       TYR  38  -8.454   0.560  -4.285
  291    HE1  TYR  38          1HE       TYR  38  -9.008   0.000  -9.131
  292    HE2  TYR  38          2HE       TYR  38  -9.215   2.446  -5.647
  293    HH   TYR  38           HH       TYR  38 -10.526   2.458  -8.235
  294    H    GLU  39           H        GLU  39  -8.221  -4.733  -6.821
  295    HA   GLU  39           HA       GLU  39  -6.919  -6.705  -5.083
  296   1HB   GLU  39          1HB       GLU  39  -7.599  -7.052  -8.000
  297   2HB   GLU  39          1HB       GLU  39  -7.251  -8.305  -6.834
  298   1HG   GLU  39          1HG       GLU  39  -9.376  -7.585  -5.648
  299   2HG   GLU  39          1HG       GLU  39  -9.735  -6.641  -7.086
  300    H    ILE  40           H        ILE  40  -4.723  -7.331  -5.459
  301    HA   ILE  40           HA       ILE  40  -3.405  -5.892  -7.644
  302    HB   ILE  40           HB       ILE  40  -1.644  -5.082  -6.096
  303   1HG1  ILE  40          1HG1      ILE  40  -2.791  -6.779  -4.289
  304   2HG1  ILE  40          1HG1      ILE  40  -1.620  -5.527  -3.907
  305   1HG2  ILE  40          1HG2      ILE  40  -3.406  -3.380  -4.952
  306   2HG2  ILE  40          2HG2      ILE  40  -4.389  -4.051  -6.243
  307   3HG2  ILE  40          3HG2      ILE  40  -2.861  -3.268  -6.621
  308   1HD1  ILE  40          1HD1      ILE  40  -3.978  -5.805  -2.686
  309   2HD1  ILE  40          2HD1      ILE  40  -4.428  -4.667  -3.947
  310   3HD1  ILE  40          3HD1      ILE  40  -3.118  -4.284  -2.832
  311    H    LYS  41           H        LYS  41  -1.744  -6.825  -8.454
  312    HA   LYS  41           HA       LYS  41  -0.934  -9.426  -7.727
  313   1HB   LYS  41          1HB       LYS  41  -0.291  -7.559  -9.869
  314   2HB   LYS  41          1HB       LYS  41   1.128  -8.443  -9.339
  315   1HG   LYS  41          1HG       LYS  41  -1.434  -9.606 -10.405
  316   2HG   LYS  41          1HG       LYS  41   0.147  -9.607 -11.176
  317   1HD   LYS  41          1HD       LYS  41   0.201 -11.705 -10.320
  318   2HD   LYS  41          1HD       LYS  41   0.787 -10.848  -8.892
  319   1HE   LYS  41          1HE       LYS  41  -1.093 -11.268  -7.721
  320   2HE   LYS  41          1HE       LYS  41  -2.136 -11.022  -9.121
  321   1HZ   LYS  41          1HZ       LYS  41  -2.359 -13.207  -9.236
  322   2HZ   LYS  41          2HZ       LYS  41  -1.250 -13.443  -7.981
  323   3HZ   LYS  41          3HZ       LYS  41  -0.710 -13.357  -9.581
  324    H    MET  42           H        MET  42  -0.320  -9.081  -5.461
  325    HA   MET  42           HA       MET  42   1.626  -7.291  -4.630
  326   1HB   MET  42          1HB       MET  42   0.059  -8.493  -3.138
  327   2HB   MET  42          1HB       MET  42   0.979  -9.967  -3.407
  328   1HG   MET  42          1HG       MET  42   2.448  -7.581  -2.442
  329   2HG   MET  42          1HG       MET  42   1.376  -8.403  -1.310
  330   1HE   MET  42          1HE       MET  42   1.978 -11.620  -2.697
  331   2HE   MET  42          2HE       MET  42   1.326 -10.982  -1.187
  332   3HE   MET  42          3HE       MET  42   2.783 -11.977  -1.168
  333    H    THR  43           H        THR  43   3.633  -7.141  -5.229
  334    HA   THR  43           HA       THR  43   4.952  -9.344  -6.427
  335    HB   THR  43           HB       THR  43   6.914  -7.480  -6.145
  336    HG1  THR  43          1HG       THR  43   5.045  -6.199  -5.162
  337   1HG2  THR  43          1HG2      THR  43   5.951  -8.547  -8.237
  338   2HG2  THR  43          2HG2      THR  43   6.538  -6.892  -8.372
  339   3HG2  THR  43          3HG2      THR  43   4.813  -7.202  -8.258
  340    H    LYS  44           H        LYS  44   5.847  -7.317  -3.562
  341    HA   LYS  44           HA       LYS  44   6.603  -9.664  -2.101
  342   1HB   LYS  44          1HB       LYS  44   8.878  -8.666  -1.538
  343   2HB   LYS  44          1HB       LYS  44   8.726  -9.407  -3.125
  344   1HG   LYS  44          1HG       LYS  44   8.228  -7.044  -3.966
  345   2HG   LYS  44          1HG       LYS  44   8.870  -6.503  -2.413
  346   1HD   LYS  44          1HD       LYS  44  10.839  -6.514  -3.506
  347   2HD   LYS  44          1HD       LYS  44  10.792  -8.250  -3.185
  348   1HE   LYS  44          1HE       LYS  44   9.649  -6.980  -5.657
  349   2HE   LYS  44          1HE       LYS  44  11.293  -7.605  -5.566
  350   1HZ   LYS  44          1HZ       LYS  44  10.180  -9.759  -4.824
  351   2HZ   LYS  44          2HZ       LYS  44  10.052  -9.343  -6.458
  352   3HZ   LYS  44          3HZ       LYS  44   8.743  -9.091  -5.417
  353    H    MET  45           H        MET  45   6.765  -9.203   0.141
  354    HA   MET  45           HA       MET  45   5.493  -6.678   0.887
  355   1HB   MET  45          1HB       MET  45   4.961  -7.776   3.014
  356   2HB   MET  45          1HB       MET  45   4.400  -8.740   1.659
  357   1HG   MET  45          1HG       MET  45   7.032  -9.276   2.980
  358   2HG   MET  45          1HG       MET  45   5.527  -9.918   3.617
  359   1HE   MET  45          1HE       MET  45   3.983 -11.820   2.143
  360   2HE   MET  45          2HE       MET  45   4.285 -11.937   0.410
  361   3HE   MET  45          3HE       MET  45   3.855 -10.388   1.128
  362    H    TYR  46           H        TYR  46   6.491  -5.174   2.234
  363    HA   TYR  46           HA       TYR  46   9.275  -5.784   2.900
  364   1HB   TYR  46          1HB       TYR  46   7.919  -3.094   2.643
  365   2HB   TYR  46          1HB       TYR  46   9.631  -3.359   2.965
  366    HD1  TYR  46          1HD       TYR  46   7.143  -4.618   0.462
  367    HD2  TYR  46          2HD       TYR  46  10.995  -2.979   1.103
  368    HE1  TYR  46          1HE       TYR  46   7.591  -4.694  -1.944
  369    HE2  TYR  46          2HE       TYR  46  11.450  -3.040  -1.288
  370    HH   TYR  46           HH       TYR  46   9.513  -4.764  -3.456
  371    H    LYS  47           H        LYS  47   6.271  -4.484   4.192
  372    HA   LYS  47           HA       LYS  47   7.208  -5.199   6.882
  373   1HB   LYS  47          1HB       LYS  47   7.002  -2.612   6.150
  374   2HB   LYS  47          1HB       LYS  47   5.343  -2.908   6.655
  375   1HG   LYS  47          1HG       LYS  47   6.667  -3.992   8.731
  376   2HG   LYS  47          1HG       LYS  47   7.802  -2.733   8.256
  377   1HD   LYS  47          1HD       LYS  47   6.541  -1.198   9.248
  378   2HD   LYS  47          1HD       LYS  47   5.182  -1.628   8.208
  379   1HE   LYS  47          1HE       LYS  47   4.117  -2.551   9.923
  380   2HE   LYS  47          1HE       LYS  47   5.481  -3.621  10.236
  381   1HZ   LYS  47          1HZ       LYS  47   5.079  -2.343  12.182
  382   2HZ   LYS  47          2HZ       LYS  47   5.064  -0.891  11.317
  383   3HZ   LYS  47          3HZ       LYS  47   6.506  -1.756  11.488
  384    H    GLY  48           H        GLY  48   5.858  -6.612   7.805
  385   1HA   GLY  48          2HA       GLY  48   3.244  -6.664   8.294
  386   2HA   GLY  48          1HA       GLY  48   3.255  -7.109   6.592
  387    H    PHE  49           H        PHE  49   6.073  -8.304   7.571
  388    HA   PHE  49           HA       PHE  49   5.604 -10.919   7.313
  389   1HB   PHE  49          1HB       PHE  49   7.537  -9.681   9.278
  390   2HB   PHE  49          1HB       PHE  49   7.627 -11.331   8.671
  391    HD1  PHE  49          1HD       PHE  49   8.516  -7.914   8.107
  392    HD2  PHE  49          2HD       PHE  49   7.962 -11.664   6.174
  393    HE1  PHE  49          1HE       PHE  49   9.885  -7.140   6.217
  394    HE2  PHE  49          2HE       PHE  49   9.331 -10.894   4.280
  395    HZ   PHE  49           HZ       PHE  49  10.293  -8.628   4.299
  396    H    GLN  50           H        GLN  50   5.455  -9.223  10.472
  397    HA   GLN  50           HA       GLN  50   4.768 -11.481  11.991
  398   1HB   GLN  50          1HB       GLN  50   3.792  -9.877  13.618
  399   2HB   GLN  50          1HB       GLN  50   5.413  -9.440  13.099
  400   1HG   GLN  50          1HG       GLN  50   3.888  -8.077  11.311
  401   2HG   GLN  50          1HG       GLN  50   2.879  -8.029  12.757
  402   1HE2  GLN  50          1HE2      GLN  50   4.241  -7.567  14.805
  403   2HE2  GLN  50          2HE2      GLN  50   5.327  -6.230  14.674
  404    H    ALA  51           H        ALA  51   2.947  -9.595   9.752
  405    HA   ALA  51           HA       ALA  51   0.397 -10.776  10.539
  406   1HB   ALA  51          1HB       ALA  51  -0.665  -9.161   9.243
  407   2HB   ALA  51          2HB       ALA  51   0.764  -8.885   8.248
  408   3HB   ALA  51          3HB       ALA  51   0.722  -8.299   9.911
  409    H    LEU  52           H        LEU  52   2.987 -11.418   8.531
  410    HA   LEU  52           HA       LEU  52   1.757 -12.554   6.259
  411   1HB   LEU  52          1HB       LEU  52   4.457 -12.305   7.355
  412   2HB   LEU  52          1HB       LEU  52   4.197 -13.815   6.514
  413    HG   LEU  52           HG       LEU  52   3.364 -12.423   4.557
  414   1HD1  LEU  52          1HD1      LEU  52   4.894 -10.103   5.195
  415   2HD1  LEU  52          2HD1      LEU  52   3.683 -10.360   6.442
  416   3HD1  LEU  52          3HD1      LEU  52   3.191 -10.225   4.758
  417   1HD2  LEU  52          1HD2      LEU  52   6.002 -11.550   4.437
  418   2HD2  LEU  52          2HD2      LEU  52   5.369 -13.090   3.861
  419   3HD2  LEU  52          3HD2      LEU  52   6.048 -12.967   5.485
  420    H    GLY  53           H        GLY  53   0.182 -13.547   7.702
  421   1HA   GLY  53          2HA       GLY  53   0.585 -15.656   9.438
  422   2HA   GLY  53          1HA       GLY  53  -0.848 -15.470   8.441
  423    H    ASP  54           H        ASP  54  -0.185 -15.942   6.001
  424    HA   ASP  54           HA       ASP  54   0.972 -18.626   6.043
  425   1HB   ASP  54          1HB       ASP  54  -1.201 -17.430   4.547
  426   2HB   ASP  54          1HB       ASP  54   0.022 -18.074   3.454
  427    H    ALA  55           H        ALA  55   0.813 -16.325   3.458
  428    HA   ALA  55           HA       ALA  55   3.618 -15.681   3.658
  429   1HB   ALA  55          1HB       ALA  55   2.971 -16.518   0.949
  430   2HB   ALA  55          2HB       ALA  55   2.961 -17.837   2.123
  431   3HB   ALA  55          3HB       ALA  55   4.404 -16.840   1.926
  432    H    ALA  56           H        ALA  56   0.611 -15.508   1.919
  433    HA   ALA  56           HA       ALA  56   1.212 -12.735   1.099
  434   1HB   ALA  56          1HB       ALA  56   0.202 -15.020  -0.385
  435   2HB   ALA  56          2HB       ALA  56   0.890 -13.505  -0.969
  436   3HB   ALA  56          3HB       ALA  56  -0.821 -13.594  -0.553
  437    H    ASP  57           H        ASP  57   0.328 -11.929   3.071
  438    HA   ASP  57           HA       ASP  57  -2.565 -12.323   3.383
  439   1HB   ASP  57          1HB       ASP  57  -2.344 -11.505   5.625
  440   2HB   ASP  57          1HB       ASP  57  -1.071 -12.691   5.355
  441    H    ILE  58           H        ILE  58  -1.169 -10.482   1.380
  442    HA   ILE  58           HA       ILE  58  -2.913  -8.191   1.889
  443    HB   ILE  58           HB       ILE  58  -0.099  -7.604   1.045
  444   1HG1  ILE  58          1HG1      ILE  58  -0.450  -6.904   3.781
  445   2HG1  ILE  58          1HG1      ILE  58  -0.767  -8.617   3.613
  446   1HG2  ILE  58          1HG2      ILE  58  -1.819  -5.792   2.657
  447   2HG2  ILE  58          2HG2      ILE  58  -2.203  -6.041   0.952
  448   3HG2  ILE  58          3HG2      ILE  58  -0.621  -5.414   1.419
  449   1HD1  ILE  58          1HD1      ILE  58   1.397  -9.027   3.533
  450   2HD1  ILE  58          2HD1      ILE  58   1.721  -7.306   3.730
  451   3HD1  ILE  58          3HD1      ILE  58   1.560  -7.990   2.117
  452    H    ARG  59           H        ARG  59  -4.038  -9.215  -0.034
  453    HA   ARG  59           HA       ARG  59  -2.548  -8.613  -2.490
  454   1HB   ARG  59          1HB       ARG  59  -4.680 -10.382  -3.072
  455   2HB   ARG  59          1HB       ARG  59  -2.954 -10.690  -3.151
  456   1HG   ARG  59          1HG       ARG  59  -3.243 -11.111  -0.569
  457   2HG   ARG  59          1HG       ARG  59  -4.918 -11.411  -1.041
  458   1HD   ARG  59          1HD       ARG  59  -4.123 -13.052  -2.699
  459   2HD   ARG  59          1HD       ARG  59  -2.469 -12.776  -2.153
  460    HE   ARG  59           HE       ARG  59  -2.883 -14.131  -0.365
  461   1HH1  ARG  59          1HH1      ARG  59  -5.941 -13.099  -1.696
  462   2HH1  ARG  59          2HH1      ARG  59  -6.876 -14.145  -0.682
  463   1HH2  ARG  59          1HH2      ARG  59  -4.112 -15.508   0.966
  464   2HH2  ARG  59          2HH2      ARG  59  -5.838 -15.512   0.829
  465    H    PHE  60           H        PHE  60  -4.913  -7.428  -0.641
  466    HA   PHE  60           HA       PHE  60  -6.064  -5.852  -2.750
  467   1HB   PHE  60          1HB       PHE  60  -7.852  -7.112  -0.668
  468   2HB   PHE  60          1HB       PHE  60  -8.328  -6.259  -2.129
  469    HD1  PHE  60          1HD       PHE  60  -7.012  -9.425  -0.787
  470    HD2  PHE  60          2HD       PHE  60  -8.477  -7.360  -4.196
  471    HE1  PHE  60          1HE       PHE  60  -7.230 -11.568  -1.983
  472    HE2  PHE  60          2HE       PHE  60  -8.691  -9.494  -5.400
  473    HZ   PHE  60           HZ       PHE  60  -8.075 -11.601  -4.299
  474    H    VAL  61           H        VAL  61  -6.798  -3.980  -2.103
  475    HA   VAL  61           HA       VAL  61  -5.797  -3.134   0.519
  476    HB   VAL  61           HB       VAL  61  -5.072  -1.193  -0.433
  477   1HG1  VAL  61          1HG1      VAL  61  -4.727  -2.411  -3.014
  478   2HG1  VAL  61          2HG1      VAL  61  -4.331  -3.468  -1.657
  479   3HG1  VAL  61          3HG1      VAL  61  -3.532  -1.906  -1.818
  480   1HG2  VAL  61          1HG2      VAL  61  -7.338  -1.497  -2.274
  481   2HG2  VAL  61          2HG2      VAL  61  -5.924  -0.672  -2.923
  482   3HG2  VAL  61          3HG2      VAL  61  -6.727  -0.047  -1.483
  483    H    TYR  62           H        TYR  62  -7.241  -2.461   1.968
  484    HA   TYR  62           HA       TYR  62  -9.889  -1.745   1.024
  485   1HB   TYR  62          1HB       TYR  62  -9.043  -2.620   3.780
  486   2HB   TYR  62          1HB       TYR  62 -10.688  -2.318   3.252
  487    HD1  TYR  62          1HD       TYR  62 -11.854  -4.260   3.136
  488    HD2  TYR  62          2HD       TYR  62  -7.833  -4.275   1.752
  489    HE1  TYR  62          1HE       TYR  62 -12.114  -6.595   2.429
  490    HE2  TYR  62          2HE       TYR  62  -8.079  -6.612   1.055
  491    HH   TYR  62           HH       TYR  62  -9.559  -8.586   1.690
  492    H    THR  63           H        THR  63 -10.177   0.261   0.796
  493    HA   THR  63           HA       THR  63  -9.328   2.192   2.871
  494    HB   THR  63           HB       THR  63  -8.427   3.312   1.079
  495    HG1  THR  63          1HG       THR  63  -9.817   4.785   0.542
  496   1HG2  THR  63          1HG2      THR  63  -9.011   2.977  -1.239
  497   2HG2  THR  63          2HG2      THR  63 -10.372   1.951  -0.780
  498   3HG2  THR  63          3HG2      THR  63  -8.715   1.410  -0.480
  499    HA   PRO  64           HA       PRO  64 -13.635   3.109   3.598
  500   1HB   PRO  64          1HB       PRO  64 -13.127   5.956   3.825
  501   2HB   PRO  64          1HB       PRO  64 -13.521   4.798   5.092
  502   1HG   PRO  64          1HG       PRO  64 -11.076   5.995   4.850
  503   2HG   PRO  64          1HG       PRO  64 -11.329   4.416   5.605
  504   1HD   PRO  64          1HD       PRO  64 -10.293   5.079   2.887
  505   2HD   PRO  64          1HD       PRO  64  -9.822   3.769   3.991
  506    H    ALA  65           H        ALA  65 -15.375   3.659   2.436
  507    HA   ALA  65           HA       ALA  65 -15.053   4.792  -0.144
  508   1HB   ALA  65          1HB       ALA  65 -17.430   3.395   1.007
  509   2HB   ALA  65          2HB       ALA  65 -16.133   2.612   0.109
  510   3HB   ALA  65          3HB       ALA  65 -17.168   3.794  -0.691
  511    H    MET  66           H        MET  66 -14.956   6.676   1.934
  512    HA   MET  66           HA       MET  66 -17.565   7.989   1.943
  513   1HB   MET  66          1HB       MET  66 -15.479   7.776   3.815
  514   2HB   MET  66          1HB       MET  66 -15.511   9.463   3.320
  515   1HG   MET  66          1HG       MET  66 -18.069   9.251   3.727
  516   2HG   MET  66          1HG       MET  66 -17.605   7.857   4.698
  517   1HE   MET  66          1HE       MET  66 -18.187   8.241   6.757
  518   2HE   MET  66          2HE       MET  66 -18.906   9.847   6.895
  519   3HE   MET  66          3HE       MET  66 -17.528   9.407   7.906
  520    H    GLU  67           H        GLU  67 -17.447  10.469   1.793
  521    HA   GLU  67           HA       GLU  67 -16.334  11.104  -0.791
  522   1HB   GLU  67          1HB       GLU  67 -18.617  11.846   0.154
  523   2HB   GLU  67          1HB       GLU  67 -17.702  13.053   1.047
  524   1HG   GLU  67          1HG       GLU  67 -18.450  14.133  -0.890
  525   2HG   GLU  67          1HG       GLU  67 -16.746  13.780  -1.177
  526    H    SER  68           H        SER  68 -16.082  12.573   2.455
  527    HA   SER  68           HA       SER  68 -13.787  14.135   1.692
  528   1HB   SER  68          1HB       SER  68 -13.783  14.776   4.130
  529   2HB   SER  68          1HB       SER  68 -15.294  15.111   3.287
  530    HG   SER  68           HG       SER  68 -14.846  13.518   5.416
  531    H    VAL  69           H        VAL  69 -13.889  10.994   1.988
  532    HA   VAL  69           HA       VAL  69 -11.692  10.598   3.841
  533    HB   VAL  69           HB       VAL  69 -13.685   9.027   3.621
  534   1HG1  VAL  69          1HG1      VAL  69 -14.093   8.472   1.479
  535   2HG1  VAL  69          2HG1      VAL  69 -12.965   7.179   1.830
  536   3HG1  VAL  69          3HG1      VAL  69 -12.416   8.621   0.984
  537   1HG2  VAL  69          1HG2      VAL  69 -11.391   7.271   3.271
  538   2HG2  VAL  69          2HG2      VAL  69 -12.452   7.499   4.663
  539   3HG2  VAL  69          3HG2      VAL  69 -11.102   8.599   4.397
  540    H    CYS  70           H        CYS  70  -9.850   9.157   3.076
  541    HA   CYS  70           HA       CYS  70  -8.996  10.022   0.389
  542   1HB   CYS  70          1HB       CYS  70  -7.702  10.198   2.964
  543   2HB   CYS  70          1HB       CYS  70  -6.729   9.232   1.864
  544    H    GLY  71           H        GLY  71 -10.421   8.010   0.122
  545   1HA   GLY  71          2HA       GLY  71  -9.669   5.487   0.575
  546   2HA   GLY  71          1HA       GLY  71 -10.397   5.982  -0.940
  547    H    TYR  72           H        TYR  72  -9.249   5.766  -2.699
  548    HA   TYR  72           HA       TYR  72  -6.424   5.991  -2.828
  549   1HB   TYR  72          1HB       TYR  72  -6.727   3.729  -1.746
  550   2HB   TYR  72          1HB       TYR  72  -7.463   3.197  -3.255
  551    HD1  TYR  72          1HD       TYR  72  -6.127   2.690  -5.171
  552    HD2  TYR  72          2HD       TYR  72  -4.339   4.381  -1.702
  553    HE1  TYR  72          1HE       TYR  72  -3.898   2.185  -6.079
  554    HE2  TYR  72          2HE       TYR  72  -2.113   3.884  -2.601
  555    HH   TYR  72           HH       TYR  72  -0.980   3.340  -4.556
  556    H    PHE  73           H        PHE  73  -7.213   7.453  -4.495
  557    HA   PHE  73           HA       PHE  73  -8.564   6.425  -6.743
  558   1HB   PHE  73          1HB       PHE  73  -7.183   8.982  -6.093
  559   2HB   PHE  73          1HB       PHE  73  -7.434   8.613  -7.797
  560    HD1  PHE  73          1HD       PHE  73  -8.941   9.781  -4.756
  561    HD2  PHE  73          2HD       PHE  73  -9.791   8.160  -8.602
  562    HE1  PHE  73          1HE       PHE  73 -11.260  10.587  -4.581
  563    HE2  PHE  73          2HE       PHE  73 -12.110   8.965  -8.431
  564    HZ   PHE  73           HZ       PHE  73 -12.847  10.180  -6.419
  565    H    HIS  74           H        HIS  74  -7.684   4.690  -7.572
  566    HA   HIS  74           HA       HIS  74  -4.862   4.769  -8.337
  567   1HB   HIS  74          1HB       HIS  74  -5.242   2.820  -7.189
  568   2HB   HIS  74          1HB       HIS  74  -6.837   2.583  -7.872
  569    HD1  HIS  74          1HD       HIS  74  -6.895   0.641  -9.411
  570    HD2  HIS  74          2HD       HIS  74  -3.166   2.474  -9.413
  571    HE1  HIS  74          1HE       HIS  74  -5.470  -0.736 -10.957
  572    HE2  HIS  74          2HE       HIS  74  -3.217   0.384 -10.938
  573    H    ARG  75           H        ARG  75  -4.266   5.347 -10.241
  574    HA   ARG  75           HA       ARG  75  -6.033   4.844 -12.544
  575   1HB   ARG  75          1HB       ARG  75  -3.942   7.007 -12.463
  576   2HB   ARG  75          1HB       ARG  75  -5.315   6.855 -13.549
  577   1HG   ARG  75          1HG       ARG  75  -5.354   7.620 -10.640
  578   2HG   ARG  75          1HG       ARG  75  -5.766   8.628 -12.028
  579   1HD   ARG  75          1HD       ARG  75  -7.307   6.135 -11.798
  580   2HD   ARG  75          1HD       ARG  75  -7.568   7.293 -10.496
  581    HE   ARG  75           HE       ARG  75  -7.796   8.815 -12.715
  582   1HH1  ARG  75          1HH1      ARG  75  -9.267   5.807 -11.733
  583   2HH1  ARG  75          2HH1      ARG  75 -10.734   6.093 -12.607
  584   1HH2  ARG  75          1HH2      ARG  75  -9.728   9.194 -13.868
  585   2HH2  ARG  75          2HH2      ARG  75 -10.996   8.015 -13.819
  586    H    SER  76           H        SER  76  -4.908   2.713 -12.521
  587    HA   SER  76           HA       SER  76  -2.760   2.745 -14.428
  588   1HB   SER  76          1HB       SER  76  -2.256   1.822 -11.596
  589   2HB   SER  76          1HB       SER  76  -1.279   1.265 -12.954
  590    HG   SER  76           HG       SER  76  -0.355   3.094 -11.959
  591    H    HIS  77           H        HIS  77  -3.418   1.298 -15.830
  592    HA   HIS  77           HA       HIS  77  -4.957  -1.036 -14.975
  593   1HB   HIS  77          1HB       HIS  77  -5.500  -1.285 -17.386
  594   2HB   HIS  77          1HB       HIS  77  -5.978   0.280 -16.741
  595    HD1  HIS  77          1HD       HIS  77  -3.576   2.007 -17.089
  596    HD2  HIS  77          2HD       HIS  77  -4.654  -0.850 -19.904
  597    HE1  HIS  77          1HE       HIS  77  -2.456   2.713 -19.218
  598    HE2  HIS  77          2HE       HIS  77  -3.241   1.053 -20.940
  599    H    ASN  78           H        ASN  78  -1.835  -0.255 -15.588
  600    HA   ASN  78           HA       ASN  78  -0.997  -2.539 -17.092
  601   1HB   ASN  78          1HB       ASN  78   0.187  -0.218 -16.699
  602   2HB   ASN  78          1HB       ASN  78   0.902  -1.062 -15.332
  603   1HD2  ASN  78          1HD2      ASN  78   0.245  -1.580 -18.779
  604   2HD2  ASN  78          2HD2      ASN  78   1.761  -2.329 -19.131
  605    H    ARG  79           H        ARG  79  -1.103  -4.532 -16.346
  606    HA   ARG  79           HA       ARG  79  -1.093  -5.136 -13.538
  607   1HB   ARG  79          1HB       ARG  79  -1.249  -7.507 -14.330
  608   2HB   ARG  79          1HB       ARG  79  -2.518  -6.455 -14.939
  609   1HG   ARG  79          1HG       ARG  79  -1.202  -6.227 -17.054
  610   2HG   ARG  79          1HG       ARG  79  -0.106  -7.461 -16.431
  611   1HD   ARG  79          1HD       ARG  79  -1.748  -8.464 -17.906
  612   2HD   ARG  79          1HD       ARG  79  -1.991  -9.023 -16.255
  613    HE   ARG  79           HE       ARG  79  -3.651  -6.968 -17.568
  614   1HH1  ARG  79          1HH1      ARG  79  -3.296  -9.629 -15.322
  615   2HH1  ARG  79          2HH1      ARG  79  -4.973  -9.649 -14.901
  616   1HH2  ARG  79          1HH2      ARG  79  -5.850  -7.007 -17.007
  617   2HH2  ARG  79          2HH2      ARG  79  -6.421  -8.166 -15.855
  618    H    SER  80           H        SER  80   1.351  -4.465 -15.685
  619    HA   SER  80           HA       SER  80   3.271  -6.255 -14.363
  620   1HB   SER  80          1HB       SER  80   3.019  -5.181 -17.097
  621   2HB   SER  80          1HB       SER  80   4.647  -5.096 -16.424
  622    HG   SER  80           HG       SER  80   4.804  -7.190 -16.550
  623    H    GLU  81           H        GLU  81   2.042  -3.234 -13.926
  624    HA   GLU  81           HA       GLU  81   4.651  -1.970 -13.549
  625   1HB   GLU  81          1HB       GLU  81   2.489  -0.834 -14.542
  626   2HB   GLU  81          1HB       GLU  81   2.125  -0.548 -12.847
  627   1HG   GLU  81          1HG       GLU  81   4.717   0.243 -14.150
  628   2HG   GLU  81          1HG       GLU  81   3.319   1.310 -14.039
  629    H    GLU  82           H        GLU  82   5.659  -2.199 -11.721
  630    HA   GLU  82           HA       GLU  82   4.513  -3.290  -9.381
  631   1HB   GLU  82          1HB       GLU  82   7.198  -2.071  -9.991
  632   2HB   GLU  82          1HB       GLU  82   6.775  -2.623  -8.375
  633   1HG   GLU  82          1HG       GLU  82   7.186  -4.733  -8.904
  634   2HG   GLU  82          1HG       GLU  82   6.161  -4.638 -10.335
  635    H    PHE  83           H        PHE  83   4.925  -2.132  -7.164
  636    HA   PHE  83           HA       PHE  83   4.637   0.703  -7.216
  637   1HB   PHE  83          1HB       PHE  83   2.235  -0.984  -6.907
  638   2HB   PHE  83          1HB       PHE  83   2.405   0.330  -5.754
  639    HD1  PHE  83          1HD       PHE  83   2.634   2.653  -6.576
  640    HD2  PHE  83          2HD       PHE  83   1.580  -0.565  -9.157
  641    HE1  PHE  83          1HE       PHE  83   1.773   4.261  -8.221
  642    HE2  PHE  83          2HE       PHE  83   0.722   1.042 -10.811
  643    HZ   PHE  83           HZ       PHE  83   0.817   3.458 -10.343
  644    H    LEU  84           H        LEU  84   3.987   1.475  -4.982
  645    HA   LEU  84           HA       LEU  84   5.342  -0.131  -2.899
  646   1HB   LEU  84          1HB       LEU  84   6.763   1.769  -3.729
  647   2HB   LEU  84          1HB       LEU  84   5.548   2.877  -3.132
  648    HG   LEU  84           HG       LEU  84   7.593   2.546  -1.681
  649   1HD1  LEU  84          1HD1      LEU  84   6.155   3.580  -0.345
  650   2HD1  LEU  84          2HD1      LEU  84   5.827   1.992   0.348
  651   3HD1  LEU  84          3HD1      LEU  84   4.792   2.630  -0.925
  652   1HD2  LEU  84          1HD2      LEU  84   7.577   0.032  -2.011
  653   2HD2  LEU  84          2HD2      LEU  84   6.253  -0.010  -0.846
  654   3HD2  LEU  84          3HD2      LEU  84   7.832   0.613  -0.366
  655    H    ILE  85           H        ILE  85   4.130  -0.476  -1.135
  656    HA   ILE  85           HA       ILE  85   1.864   1.369  -0.686
  657    HB   ILE  85           HB       ILE  85   1.793  -1.654  -0.645
  658   1HG1  ILE  85          1HG1      ILE  85   0.129   0.209  -2.334
  659   2HG1  ILE  85          1HG1      ILE  85   1.740  -0.281  -2.844
  660   1HG2  ILE  85          1HG2      ILE  85  -0.747  -1.136  -0.348
  661   2HG2  ILE  85          2HG2      ILE  85  -0.180   0.400   0.307
  662   3HG2  ILE  85          3HG2      ILE  85   0.308  -1.115   1.065
  663   1HD1  ILE  85          1HD1      ILE  85   0.826  -2.684  -2.430
  664   2HD1  ILE  85          2HD1      ILE  85   0.425  -1.817  -3.913
  665   3HD1  ILE  85          3HD1      ILE  85  -0.744  -1.899  -2.595
  666    H    ALA  86           H        ALA  86   2.060   2.283   1.133
  667    HA   ALA  86           HA       ALA  86   3.054   0.896   3.583
  668   1HB   ALA  86          1HB       ALA  86   4.219   3.017   3.278
  669   2HB   ALA  86          2HB       ALA  86   3.131   3.142   4.660
  670   3HB   ALA  86          3HB       ALA  86   2.683   3.869   3.120
  671    H    GLY  87           H        GLY  87   1.410   0.047   4.756
  672   1HA   GLY  87          2HA       GLY  87  -0.912   1.560   5.473
  673   2HA   GLY  87          1HA       GLY  87  -1.306   0.337   4.284
  674    H    LYS  88           H        LYS  88  -1.997   0.753   7.235
  675    HA   LYS  88           HA       LYS  88  -0.936  -1.591   8.559
  676   1HB   LYS  88          1HB       LYS  88  -1.257   0.352   9.938
  677   2HB   LYS  88          1HB       LYS  88  -2.901   0.559   9.367
  678   1HG   LYS  88          1HG       LYS  88  -3.570  -1.484  10.527
  679   2HG   LYS  88          1HG       LYS  88  -1.925  -1.703  11.097
  680   1HD   LYS  88          1HD       LYS  88  -2.240  -0.303  12.794
  681   2HD   LYS  88          1HD       LYS  88  -2.876   0.946  11.719
  682   1HE   LYS  88          1HE       LYS  88  -5.058   0.275  12.004
  683   2HE   LYS  88          1HE       LYS  88  -4.608  -1.381  12.400
  684   1HZ   LYS  88          1HZ       LYS  88  -5.475   0.129  14.257
  685   2HZ   LYS  88          2HZ       LYS  88  -3.940   0.836  14.227
  686   3HZ   LYS  88          3HZ       LYS  88  -4.104  -0.811  14.572
  687    H    LEU  89           H        LEU  89  -2.543  -3.177   9.614
  688    HA   LEU  89           HA       LEU  89  -4.504  -4.011   7.620
  689   1HB   LEU  89          1HB       LEU  89  -2.898  -5.287   9.744
  690   2HB   LEU  89          1HB       LEU  89  -4.478  -5.981   9.452
  691    HG   LEU  89           HG       LEU  89  -2.176  -5.793   7.540
  692   1HD1  LEU  89          1HD1      LEU  89  -3.166  -7.778   9.331
  693   2HD1  LEU  89          2HD1      LEU  89  -1.784  -7.872   8.244
  694   3HD1  LEU  89          3HD1      LEU  89  -3.383  -8.345   7.677
  695   1HD2  LEU  89          1HD2      LEU  89  -5.021  -5.899   7.002
  696   2HD2  LEU  89          2HD2      LEU  89  -4.100  -7.191   6.238
  697   3HD2  LEU  89          3HD2      LEU  89  -3.678  -5.511   5.930
  698    H    GLN  90           H        GLN  90  -6.645  -4.552   8.107
  699    HA   GLN  90           HA       GLN  90  -7.676  -3.728  10.713
  700   1HB   GLN  90          1HB       GLN  90  -8.251  -2.338   8.556
  701   2HB   GLN  90          1HB       GLN  90  -9.363  -3.665   8.248
  702   1HG   GLN  90          1HG       GLN  90 -10.828  -2.591   9.508
  703   2HG   GLN  90          1HG       GLN  90  -9.815  -2.992  10.896
  704   1HE2  GLN  90          1HE2      GLN  90 -11.112  -0.525   9.013
  705   2HE2  GLN  90          2HE2      GLN  90 -10.235   0.800   9.690
  706    H    ASP  91           H        ASP  91  -8.141  -5.541  11.793
  707    HA   ASP  91           HA       ASP  91  -8.596  -7.782  12.159
  708   1HB   ASP  91          1HB       ASP  91 -10.916  -6.633  10.638
  709   2HB   ASP  91          1HB       ASP  91 -10.945  -8.316  11.158
  710    H    GLY  92           H        GLY  92  -6.948  -7.311   9.769
  711   1HA   GLY  92          2HA       GLY  92  -6.128  -9.430   8.683
  712   2HA   GLY  92          1HA       GLY  92  -7.792  -9.635   8.159
  713    H    LEU  93           H        LEU  93  -8.584  -7.343   7.137
  714    HA   LEU  93           HA       LEU  93  -7.208  -7.245   4.692
  715   1HB   LEU  93          1HB       LEU  93  -9.336  -5.344   5.653
  716   2HB   LEU  93          1HB       LEU  93  -8.922  -5.728   4.000
  717    HG   LEU  93           HG       LEU  93 -10.917  -6.875   4.373
  718   1HD1  LEU  93          1HD1      LEU  93 -10.376  -9.095   3.978
  719   2HD1  LEU  93          2HD1      LEU  93  -8.971  -9.043   5.043
  720   3HD1  LEU  93          3HD1      LEU  93  -8.925  -8.225   3.482
  721   1HD2  LEU  93          1HD2      LEU  93 -10.393  -8.527   6.640
  722   2HD2  LEU  93          2HD2      LEU  93 -11.681  -7.349   6.393
  723   3HD2  LEU  93          3HD2      LEU  93 -10.142  -6.838   7.076
  724    H    LEU  94           H        LEU  94  -6.129  -5.656   3.657
  725    HA   LEU  94           HA       LEU  94  -4.512  -3.916   5.240
  726   1HB   LEU  94          1HB       LEU  94  -3.627  -4.947   3.226
  727   2HB   LEU  94          1HB       LEU  94  -4.848  -4.160   2.247
  728    HG   LEU  94           HG       LEU  94  -3.834  -1.957   2.844
  729   1HD1  LEU  94          1HD1      LEU  94  -1.333  -3.251   3.712
  730   2HD1  LEU  94          2HD1      LEU  94  -2.644  -3.234   4.892
  731   3HD1  LEU  94          3HD1      LEU  94  -2.052  -1.719   4.206
  732   1HD2  LEU  94          1HD2      LEU  94  -1.512  -3.262   1.706
  733   2HD2  LEU  94          2HD2      LEU  94  -2.636  -2.119   0.972
  734   3HD2  LEU  94          3HD2      LEU  94  -3.011  -3.842   0.981
  735    H    HIS  95           H        HIS  95  -4.398  -1.614   4.991
  736    HA   HIS  95           HA       HIS  95  -6.802  -0.353   3.936
  737   1HB   HIS  95          1HB       HIS  95  -5.944  -0.164   6.801
  738   2HB   HIS  95          1HB       HIS  95  -6.798   1.172   6.035
  739    HD1  HIS  95          1HD       HIS  95  -9.174   1.071   6.718
  740    HD2  HIS  95          2HD       HIS  95  -7.611  -2.712   6.005
  741    HE1  HIS  95          1HE       HIS  95 -11.099  -0.522   7.011
  742    HE2  HIS  95          2HE       HIS  95 -10.147  -2.794   6.482
  743    H    ILE  96           H        ILE  96  -6.496   1.647   3.093
  744    HA   ILE  96           HA       ILE  96  -3.917   2.953   3.521
  745    HB   ILE  96           HB       ILE  96  -3.359   3.082   1.137
  746   1HG1  ILE  96          1HG1      ILE  96  -5.696   2.754   0.310
  747   2HG1  ILE  96          1HG1      ILE  96  -4.503   1.758  -0.518
  748   1HG2  ILE  96          1HG2      ILE  96  -3.428   0.549   2.621
  749   2HG2  ILE  96          2HG2      ILE  96  -2.067   1.414   1.920
  750   3HG2  ILE  96          3HG2      ILE  96  -3.105   0.419   0.901
  751   1HD1  ILE  96          1HD1      ILE  96  -5.564   0.341   1.732
  752   2HD1  ILE  96          2HD1      ILE  96  -5.590  -0.068   0.034
  753   3HD1  ILE  96          3HD1      ILE  96  -6.871   0.924   0.704
  754    H    THR  97           H        THR  97  -3.728   5.002   2.312
  755    HA   THR  97           HA       THR  97  -6.176   6.199   1.364
  756    HB   THR  97           HB       THR  97  -5.881   8.129   3.034
  757    HG1  THR  97          1HG       THR  97  -3.998   7.724   4.015
  758   1HG2  THR  97          1HG2      THR  97  -7.746   7.215   3.801
  759   2HG2  THR  97          2HG2      THR  97  -6.733   6.359   4.963
  760   3HG2  THR  97          3HG2      THR  97  -7.184   5.585   3.449
  761    H    THR  98           H        THR  98  -5.832   8.349   0.463
  762    HA   THR  98           HA       THR  98  -3.363   8.500  -0.923
  763    HB   THR  98           HB       THR  98  -4.417   9.873  -2.327
  764    HG1  THR  98          1HG       THR  98  -4.283  11.801  -1.501
  765   1HG2  THR  98          1HG2      THR  98  -6.688   9.724  -2.464
  766   2HG2  THR  98          2HG2      THR  98  -6.915   9.885  -0.725
  767   3HG2  THR  98          3HG2      THR  98  -6.319   8.372  -1.396
  768    H    CYS  99           H        CYS  99  -3.775   9.116   2.192
  769    HA   CYS  99           HA       CYS  99  -1.771  11.262   2.178
  770   1HB   CYS  99          1HB       CYS  99  -3.840  12.148   3.149
  771   2HB   CYS  99          1HB       CYS  99  -3.907  10.823   4.288
  772    H    SER 100           H        SER 100  -1.799   8.284   2.097
  773    HA   SER 100           HA       SER 100  -0.065   7.733   4.421
  774   1HB   SER 100          1HB       SER 100  -2.183   6.294   4.154
  775   2HB   SER 100          1HB       SER 100  -1.429   5.649   2.696
  776    HG   SER 100           HG       SER 100  -0.026   4.572   3.877
  777    H    PHE 101           H        PHE 101   1.980   6.531   3.818
  778    HA   PHE 101           HA       PHE 101   2.999   7.537   1.404
  779   1HB   PHE 101          1HB       PHE 101   4.300   6.914   3.470
  780   2HB   PHE 101          1HB       PHE 101   4.198   5.241   2.930
  781    HD1  PHE 101          1HD       PHE 101   6.296   7.904   3.089
  782    HD2  PHE 101          2HD       PHE 101   4.812   5.127   0.226
  783    HE1  PHE 101          1HE       PHE 101   8.289   8.277   1.699
  784    HE2  PHE 101          2HE       PHE 101   6.803   5.495  -1.168
  785    HZ   PHE 101           HZ       PHE 101   8.547   7.071  -0.431
  786    H    VAL 102           H        VAL 102   2.079   6.861  -0.525
  787    HA   VAL 102           HA       VAL 102   2.383   4.039  -1.191
  788    HB   VAL 102           HB       VAL 102  -0.294   5.297  -1.729
  789   1HG1  VAL 102          1HG1      VAL 102  -0.784   2.714  -1.665
  790   2HG1  VAL 102          2HG1      VAL 102   0.944   2.608  -1.993
  791   3HG1  VAL 102          3HG1      VAL 102  -0.109   3.483  -3.099
  792   1HG2  VAL 102          1HG2      VAL 102  -1.186   4.672   0.258
  793   2HG2  VAL 102          2HG2      VAL 102   0.461   4.905   0.825
  794   3HG2  VAL 102          3HG2      VAL 102  -0.110   3.288   0.431
  795    H    ALA 103           H        ALA 103   3.703   4.289  -2.934
  796    HA   ALA 103           HA       ALA 103   2.563   5.474  -5.331
  797   1HB   ALA 103          1HB       ALA 103   3.461   7.490  -5.019
  798   2HB   ALA 103          2HB       ALA 103   4.997   6.730  -5.435
  799   3HB   ALA 103          3HB       ALA 103   4.535   6.914  -3.743
  800    HA   PRO 104           HA       PRO 104   4.938   2.709  -7.870
  801   1HB   PRO 104          1HB       PRO 104   6.541   4.981  -8.910
  802   2HB   PRO 104          1HB       PRO 104   5.691   3.710  -9.792
  803   1HG   PRO 104          1HG       PRO 104   4.661   6.165  -9.640
  804   2HG   PRO 104          1HG       PRO 104   3.604   4.748  -9.500
  805   1HD   PRO 104          1HD       PRO 104   4.586   6.599  -7.367
  806   2HD   PRO 104          1HD       PRO 104   3.023   5.773  -7.510
  807    H    TRP 105           H        TRP 105   6.452   1.396  -7.064
  808    HA   TRP 105           HA       TRP 105   8.661   2.004  -5.527
  809   1HB   TRP 105          1HB       TRP 105   7.816  -0.284  -6.331
  810   2HB   TRP 105          1HB       TRP 105   8.650   0.030  -7.825
  811    HD1  TRP 105           HD       TRP 105  10.864  -1.141  -7.936
  812    HE1  TRP 105          1HE       TRP 105  12.661  -1.849  -6.258
  813    HE3  TRP 105          3HE       TRP 105   8.737   0.678  -3.669
  814    HZ2  TRP 105          2HZ       TRP 105  13.117  -1.680  -3.455
  815    HZ3  TRP 105          3HZ       TRP 105   9.921   0.373  -1.537
  816    HH2  TRP 105           HH       TRP 105  12.072  -0.776  -1.452
  817    H    ASN 106           H        ASN 106   8.342   1.583  -8.927
  818    HA   ASN 106           HA       ASN 106  10.714   2.189  -9.859
  819   1HB   ASN 106          1HB       ASN 106   8.050   2.561 -11.071
  820   2HB   ASN 106          1HB       ASN 106   9.473   3.110 -11.957
  821   1HD2  ASN 106          1HD2      ASN 106   7.458   0.743 -12.081
  822   2HD2  ASN 106          2HD2      ASN 106   8.488  -0.613 -12.372
  823    H    SER 107           H        SER 107   8.753   4.475  -8.349
  824    HA   SER 107           HA       SER 107  10.231   6.718  -9.494
  825   1HB   SER 107          1HB       SER 107   7.681   6.738  -9.169
  826   2HB   SER 107          1HB       SER 107   8.036   6.951  -7.456
  827    HG   SER 107           HG       SER 107   8.193   8.747  -9.509
  828    H    LEU 108           H        LEU 108  10.619   4.633  -7.112
  829    HA   LEU 108           HA       LEU 108  11.545   6.414  -5.054
  830   1HB   LEU 108          1HB       LEU 108  11.010   3.580  -5.389
  831   2HB   LEU 108          1HB       LEU 108  12.308   3.941  -4.271
  832    HG   LEU 108           HG       LEU 108  10.780   5.337  -2.950
  833   1HD1  LEU 108          1HD1      LEU 108   9.246   5.352  -5.291
  834   2HD1  LEU 108          2HD1      LEU 108   8.872   6.115  -3.748
  835   3HD1  LEU 108          3HD1      LEU 108   8.293   4.486  -4.089
  836   1HD2  LEU 108          1HD2      LEU 108   9.277   3.519  -2.164
  837   2HD2  LEU 108          2HD2      LEU 108  10.968   3.040  -2.311
  838   3HD2  LEU 108          3HD2      LEU 108   9.803   2.554  -3.542
  839    H    SER 109           H        SER 109  13.500   6.158  -4.047
  840    HA   SER 109           HA       SER 109  15.777   6.354  -5.794
  841   1HB   SER 109          1HB       SER 109  16.025   6.067  -2.814
  842   2HB   SER 109          1HB       SER 109  16.991   7.031  -3.919
  843    HG   SER 109           HG       SER 109  14.497   7.920  -4.031
  844    H    LEU 110           H        LEU 110  17.399   5.066  -5.934
  845    HA   LEU 110           HA       LEU 110  16.906   2.287  -5.973
  846   1HB   LEU 110          1HB       LEU 110  19.471   2.307  -6.404
  847   2HB   LEU 110          1HB       LEU 110  18.354   2.918  -7.575
  848    HG   LEU 110           HG       LEU 110  20.597   4.206  -6.593
  849   1HD1  LEU 110          1HD1      LEU 110  20.209   4.843  -8.687
  850   2HD1  LEU 110          2HD1      LEU 110  19.266   6.136  -7.945
  851   3HD1  LEU 110          3HD1      LEU 110  18.463   4.668  -8.509
  852   1HD2  LEU 110          1HD2      LEU 110  18.155   5.335  -5.382
  853   2HD2  LEU 110          2HD2      LEU 110  19.429   6.409  -5.930
  854   3HD2  LEU 110          3HD2      LEU 110  19.774   5.183  -4.713
  855    H    ALA 111           H        ALA 111  18.289   4.469  -3.767
  856    HA   ALA 111           HA       ALA 111  19.414   2.470  -2.039
  857   1HB   ALA 111          1HB       ALA 111  20.546   4.192  -1.111
  858   2HB   ALA 111          2HB       ALA 111  19.120   5.238  -1.101
  859   3HB   ALA 111          3HB       ALA 111  20.058   5.029  -2.588
  860    H    GLN 112           H        GLN 112  16.596   4.542  -2.307
  861    HA   GLN 112           HA       GLN 112  15.606   3.686   0.249
  862   1HB   GLN 112          1HB       GLN 112  15.342   6.025  -0.449
  863   2HB   GLN 112          1HB       GLN 112  14.487   5.508  -1.895
  864   1HG   GLN 112          1HG       GLN 112  12.617   4.822  -0.667
  865   2HG   GLN 112          1HG       GLN 112  13.502   4.875   0.859
  866   1HE2  GLN 112          1HE2      GLN 112  11.357   6.494  -1.091
  867   2HE2  GLN 112          2HE2      GLN 112  11.496   8.073  -0.404
  868    H    ARG 113           H        ARG 113  15.921   2.498  -2.705
  869    HA   ARG 113           HA       ARG 113  13.388   1.131  -2.850
  870   1HB   ARG 113          1HB       ARG 113  15.812   1.392  -4.569
  871   2HB   ARG 113          1HB       ARG 113  14.784  -0.025  -4.778
  872   1HG   ARG 113          1HG       ARG 113  12.898   1.843  -4.851
  873   2HG   ARG 113          1HG       ARG 113  14.254   2.819  -5.401
  874   1HD   ARG 113          1HD       ARG 113  14.707   0.792  -6.946
  875   2HD   ARG 113          1HD       ARG 113  12.988   0.463  -6.661
  876    HE   ARG 113           HE       ARG 113  13.505   3.173  -7.435
  877   1HH1  ARG 113          1HH1      ARG 113  12.986  -0.066  -8.606
  878   2HH1  ARG 113          2HH1      ARG 113  12.496   0.446 -10.186
  879   1HH2  ARG 113          1HH2      ARG 113  12.873   3.859  -9.513
  880   2HH2  ARG 113          2HH2      ARG 113  12.435   2.680 -10.703
  881    H    ARG 114           H        ARG 114  16.858   0.715  -2.117
  882    HA   ARG 114           HA       ARG 114  16.393  -2.011  -1.309
  883   1HB   ARG 114          1HB       ARG 114  18.600  -2.115  -0.512
  884   2HB   ARG 114          1HB       ARG 114  18.705  -1.099  -1.942
  885   1HG   ARG 114          1HG       ARG 114  20.045  -0.011  -0.434
  886   2HG   ARG 114          1HG       ARG 114  18.517   0.830  -0.213
  887   1HD   ARG 114          1HD       ARG 114  18.028  -0.829   1.649
  888   2HD   ARG 114          1HD       ARG 114  19.708  -1.324   1.496
  889    HE   ARG 114           HE       ARG 114  18.721   1.087   2.707
  890   1HH1  ARG 114          1HH1      ARG 114  21.469  -0.439   1.191
  891   2HH1  ARG 114          2HH1      ARG 114  22.623   0.627   1.919
  892   1HH2  ARG 114          1HH2      ARG 114  20.243   2.494   3.669
  893   2HH2  ARG 114          2HH2      ARG 114  21.928   2.292   3.325
  894    H    GLY 115           H        GLY 115  16.813   1.122   0.234
  895   1HA   GLY 115          2HA       GLY 115  16.687   0.533   2.863
  896   2HA   GLY 115          1HA       GLY 115  15.922   1.948   2.179
  897    H    PHE 116           H        PHE 116  13.873   0.676   0.673
  898    HA   PHE 116           HA       PHE 116  12.181   0.067   2.912
  899   1HB   PHE 116          1HB       PHE 116  11.713   0.426  -0.032
  900   2HB   PHE 116          1HB       PHE 116  10.498  -0.434   0.899
  901    HD1  PHE 116          1HD       PHE 116   9.131   0.729   2.529
  902    HD2  PHE 116          2HD       PHE 116  12.073   2.778   0.253
  903    HE1  PHE 116          1HE       PHE 116   8.110   2.880   3.147
  904    HE2  PHE 116          2HE       PHE 116  11.073   4.929   0.866
  905    HZ   PHE 116           HZ       PHE 116   9.083   4.986   2.315
  906    H    THR 117           H        THR 117  14.007  -1.693   0.705
  907    HA   THR 117           HA       THR 117  12.477  -4.127   1.021
  908    HB   THR 117           HB       THR 117  13.783  -3.390  -1.105
  909    HG1  THR 117          1HG       THR 117  13.484  -5.931  -0.011
  910   1HG2  THR 117          1HG2      THR 117  15.985  -4.630   0.514
  911   2HG2  THR 117          2HG2      THR 117  15.977  -3.093  -0.329
  912   3HG2  THR 117          3HG2      THR 117  15.987  -4.587  -1.247
  913    H    LYS 118           H        LYS 118  15.054  -2.508   2.563
  914    HA   LYS 118           HA       LYS 118  15.460  -4.871   4.249
  915   1HB   LYS 118          1HB       LYS 118  17.518  -5.143   3.444
  916   2HB   LYS 118          1HB       LYS 118  17.242  -3.821   2.326
  917   1HG   LYS 118          1HG       LYS 118  18.144  -2.252   3.918
  918   2HG   LYS 118          1HG       LYS 118  18.347  -3.538   5.111
  919   1HD   LYS 118          1HD       LYS 118  20.161  -4.417   4.054
  920   2HD   LYS 118          1HD       LYS 118  19.596  -3.938   2.452
  921   1HE   LYS 118          1HE       LYS 118  20.177  -1.610   2.973
  922   2HE   LYS 118          1HE       LYS 118  20.765  -2.111   4.547
  923   1HZ   LYS 118          1HZ       LYS 118  22.696  -2.128   3.378
  924   2HZ   LYS 118          2HZ       LYS 118  21.956  -2.507   1.906
  925   3HZ   LYS 118          3HZ       LYS 118  22.199  -3.714   3.065
  926    H    THR 119           H        THR 119  15.954  -1.445   3.906
  927    HA   THR 119           HA       THR 119  16.929  -1.177   6.608
  928    HB   THR 119           HB       THR 119  16.753   1.224   5.016
  929    HG1  THR 119          1HG       THR 119  16.769  -0.508   3.366
  930   1HG2  THR 119          1HG2      THR 119  18.633  -0.009   6.707
  931   2HG2  THR 119          2HG2      THR 119  18.818   1.515   5.832
  932   3HG2  THR 119          3HG2      THR 119  19.361  -0.002   5.096
  933    H    TYR 120           H        TYR 120  13.846  -0.220   5.148
  934    HA   TYR 120           HA       TYR 120  13.736   1.950   7.064
  935   1HB   TYR 120          1HB       TYR 120  12.061   1.244   4.687
  936   2HB   TYR 120          1HB       TYR 120  11.623   2.486   5.826
  937    HD1  TYR 120          1HD       TYR 120  11.750   4.433   4.586
  938    HD2  TYR 120          2HD       TYR 120  15.031   1.731   4.589
  939    HE1  TYR 120          1HE       TYR 120  13.115   6.099   3.405
  940    HE2  TYR 120          2HE       TYR 120  16.407   3.390   3.412
  941    HH   TYR 120           HH       TYR 120  15.184   6.633   2.703
  942    H    THR 121           H        THR 121  13.153  -1.034   7.821
  943    HA   THR 121           HA       THR 121  10.498  -0.551   8.965
  944    HB   THR 121           HB       THR 121   9.992  -2.645   8.473
  945    HG1  THR 121          1HG       THR 121  12.251  -3.280  10.033
  946   1HG2  THR 121          1HG2      THR 121  11.115  -3.735   6.858
  947   2HG2  THR 121          2HG2      THR 121  12.682  -3.498   7.635
  948   3HG2  THR 121          3HG2      THR 121  11.926  -2.173   6.752
  949    H    VAL 122           H        VAL 122  13.587  -0.629   9.602
  950    HA   VAL 122           HA       VAL 122  13.273  -0.663  12.544
  951    HB   VAL 122           HB       VAL 122  15.912  -1.425  11.318
  952   1HG1  VAL 122          1HG1      VAL 122  14.883  -1.043  13.974
  953   2HG1  VAL 122          2HG1      VAL 122  16.538  -1.356  13.451
  954   3HG1  VAL 122          3HG1      VAL 122  15.445  -2.702  13.775
  955   1HG2  VAL 122          1HG2      VAL 122  14.973  -3.801  12.154
  956   2HG2  VAL 122          2HG2      VAL 122  14.832  -3.235  10.489
  957   3HG2  VAL 122          3HG2      VAL 122  13.470  -3.065  11.597
  958    H    GLY 123           H        GLY 123  14.701   0.795   9.732
  959   1HA   GLY 123          2HA       GLY 123  15.594   3.054  11.401
  960   2HA   GLY 123          1HA       GLY 123  16.454   2.526   9.958
  961    H    CYS 124           H        CYS 124  13.024   2.464  10.103
  962    HA   CYS 124           HA       CYS 124  12.365   3.619   7.792
  963   1HB   CYS 124          1HB       CYS 124  10.211   4.201   8.793
  964   2HB   CYS 124          1HB       CYS 124  10.785   2.633   9.356
  965    H    GLU 125           H        GLU 125  13.215   5.359  10.699
  966    HA   GLU 125           HA       GLU 125  12.467   7.903  10.292
  967   1HB   GLU 125          1HB       GLU 125  14.829   8.484  11.271
  968   2HB   GLU 125          1HB       GLU 125  13.607   7.675  12.240
  969   1HG   GLU 125          1HG       GLU 125  14.709   5.494  11.456
  970   2HG   GLU 125          1HG       GLU 125  16.055   6.524  10.966
  971    H    GLU 126           H        GLU 126  12.288   8.348   8.121
  972    HA   GLU 126           HA       GLU 126  14.227   8.345   6.181
  973   1HB   GLU 126          1HB       GLU 126  12.927  10.244   5.158
  974   2HB   GLU 126          1HB       GLU 126  11.995   8.823   5.580
  975   1HG   GLU 126          1HG       GLU 126  10.594  10.169   6.646
  976   2HG   GLU 126          1HG       GLU 126  11.862  10.405   7.844
  Start of MODEL    2
    1   1H    CYS   1          1HT       CYS   1  -9.175  11.851   3.953
    2   2H    CYS   1          2HT       CYS   1  -8.993  12.074   5.640
    3   3H    CYS   1          3HT       CYS   1  -9.442  10.547   5.021
    4    HA   CYS   1           HA       CYS   1  -6.946  11.349   5.653
    5   1HB   CYS   1          1HB       CYS   1  -7.309   9.295   3.532
    6   2HB   CYS   1          1HB       CYS   1  -6.331   9.228   4.977
    7    H    THR   2           H        THR   2  -8.132  13.174   3.487
    8    HA   THR   2           HA       THR   2  -6.220  12.732   1.346
    9    HB   THR   2           HB       THR   2  -8.424  13.243   0.604
   10    HG1  THR   2          1HG       THR   2  -7.150  15.715   0.242
   11   1HG2  THR   2          1HG2      THR   2  -8.510  15.049   2.803
   12   2HG2  THR   2          2HG2      THR   2  -9.814  14.513   1.743
   13   3HG2  THR   2          3HG2      THR   2  -8.853  15.926   1.311
   14    H    CYS   3           H        CYS   3  -4.403  13.138   2.697
   15    HA   CYS   3           HA       CYS   3  -3.885  15.997   3.135
   16   1HB   CYS   3          1HB       CYS   3  -2.750  15.492   5.037
   17   2HB   CYS   3          1HB       CYS   3  -3.782  14.086   5.015
   18    H    VAL   4           H        VAL   4  -1.156  15.978   3.282
   19    HA   VAL   4           HA       VAL   4  -0.473  15.408   0.501
   20    HB   VAL   4           HB       VAL   4   1.252  17.014   0.657
   21   1HG1  VAL   4          1HG1      VAL   4  -1.193  17.901   2.162
   22   2HG1  VAL   4          2HG1      VAL   4  -0.840  18.094   0.445
   23   3HG1  VAL   4          3HG1      VAL   4   0.073  19.012   1.643
   24   1HG2  VAL   4          1HG2      VAL   4   2.277  16.375   2.729
   25   2HG2  VAL   4          2HG2      VAL   4   0.865  16.906   3.644
   26   3HG2  VAL   4          3HG2      VAL   4   1.874  18.089   2.811
   27    HA   PRO   5           HA       PRO   5   2.426  12.108   0.837
   28   1HB   PRO   5          1HB       PRO   5   4.557  14.168   0.380
   29   2HB   PRO   5          1HB       PRO   5   4.375  12.565  -0.345
   30   1HG   PRO   5          1HG       PRO   5   3.645  14.750  -1.684
   31   2HG   PRO   5          1HG       PRO   5   2.695  13.257  -1.784
   32   1HD   PRO   5          1HD       PRO   5   2.065  15.800  -0.410
   33   2HD   PRO   5          1HD       PRO   5   0.971  14.554  -1.034
   34    HA   PRO   6           HA       PRO   6   3.844  12.944   5.054
   35   1HB   PRO   6          1HB       PRO   6   3.012  10.643   6.126
   36   2HB   PRO   6          1HB       PRO   6   1.907  11.962   5.740
   37   1HG   PRO   6          1HG       PRO   6   2.277   9.364   4.390
   38   2HG   PRO   6          1HG       PRO   6   0.866  10.430   4.404
   39   1HD   PRO   6          1HD       PRO   6   2.880  10.179   2.373
   40   2HD   PRO   6          1HD       PRO   6   1.458  11.239   2.381
   41    H    HIS   7           H        HIS   7   5.945  12.745   5.642
   42    HA   HIS   7           HA       HIS   7   7.918  11.461   4.607
   43   1HB   HIS   7          1HB       HIS   7   7.364  11.732   7.547
   44   2HB   HIS   7          1HB       HIS   7   8.913  11.175   6.920
   45    HD1  HIS   7          1HD       HIS   7  10.040  13.300   7.946
   46    HD2  HIS   7          2HD       HIS   7   7.221  14.083   4.995
   47    HE1  HIS   7          1HE       HIS   7  10.393  15.704   7.298
   48    HE2  HIS   7          2HE       HIS   7   8.731  16.131   5.454
   49    HA   PRO   8           HA       PRO   8   7.212   7.049   4.516
   50   1HB   PRO   8          1HB       PRO   8   9.738   6.426   3.741
   51   2HB   PRO   8          1HB       PRO   8   8.532   7.067   2.618
   52   1HG   PRO   8          1HG       PRO   8  10.630   8.542   4.151
   53   2HG   PRO   8          1HG       PRO   8  10.289   8.621   2.410
   54   1HD   PRO   8          1HD       PRO   8   9.358  10.496   4.030
   55   2HD   PRO   8          1HD       PRO   8   8.300   9.822   2.768
   56    H    GLN   9           H        GLN   9   9.384   8.913   6.387
   57    HA   GLN   9           HA       GLN   9  10.630   6.830   7.866
   58   1HB   GLN   9          1HB       GLN   9  11.643   9.013   8.010
   59   2HB   GLN   9          1HB       GLN   9  10.114   9.764   8.428
   60   1HG   GLN   9          1HG       GLN   9  10.519   7.911  10.455
   61   2HG   GLN   9          1HG       GLN   9  12.117   8.575  10.155
   62   1HE2  GLN   9          1HE2      GLN   9   9.328   8.956  11.861
   63   2HE2  GLN   9          2HE2      GLN   9   9.488  10.620  12.293
   64    H    THR  10           H        THR  10   7.644   8.697   8.051
   65    HA   THR  10           HA       THR  10   6.846   7.389  10.495
   66    HB   THR  10           HB       THR  10   5.934   9.713   8.829
   67    HG1  THR  10          1HG       THR  10   6.100   9.502  11.636
   68   1HG2  THR  10          1HG2      THR  10   4.047   7.958   9.985
   69   2HG2  THR  10          2HG2      THR  10   3.783   9.543   9.254
   70   3HG2  THR  10          3HG2      THR  10   4.113   9.410  10.981
   71    H    ALA  11           H        ALA  11   6.007   7.740   7.014
   72    HA   ALA  11           HA       ALA  11   3.704   6.191   6.954
   73   1HB   ALA  11          1HB       ALA  11   3.850   6.391   4.713
   74   2HB   ALA  11          2HB       ALA  11   5.575   6.028   4.676
   75   3HB   ALA  11          3HB       ALA  11   5.020   7.633   5.156
   76    H    PHE  12           H        PHE  12   7.133   5.217   6.755
   77    HA   PHE  12           HA       PHE  12   6.486   2.474   6.231
   78   1HB   PHE  12          1HB       PHE  12   8.794   3.742   5.898
   79   2HB   PHE  12          1HB       PHE  12   9.054   3.243   7.563
   80    HD1  PHE  12          1HD       PHE  12   9.354   2.258   4.191
   81    HD2  PHE  12          2HD       PHE  12   8.649   0.742   8.101
   82    HE1  PHE  12          1HE       PHE  12  10.058   0.017   3.447
   83    HE2  PHE  12          2HE       PHE  12   9.355  -1.497   7.367
   84    HZ   PHE  12           HZ       PHE  12  10.061  -1.861   5.038
   85    H    CYS  13           H        CYS  13   8.088   3.902   9.102
   86    HA   CYS  13           HA       CYS  13   7.749   1.761  10.724
   87   1HB   CYS  13          1HB       CYS  13   8.394   4.642  11.099
   88   2HB   CYS  13          1HB       CYS  13   8.100   3.650  12.521
   89    H    ASN  14           H        ASN  14   5.197   4.182  10.058
   90    HA   ASN  14           HA       ASN  14   3.950   3.382  12.553
   91   1HB   ASN  14          1HB       ASN  14   3.428   5.524  10.507
   92   2HB   ASN  14          1HB       ASN  14   2.150   5.020  11.603
   93   1HD2  ASN  14          1HD2      ASN  14   5.522   6.098  11.587
   94   2HD2  ASN  14          2HD2      ASN  14   5.420   6.998  13.058
   95    H    SER  15           H        SER  15   3.649   3.060   9.022
   96    HA   SER  15           HA       SER  15   1.145   1.905   8.937
   97   1HB   SER  15          1HB       SER  15   3.334   2.438   7.173
   98   2HB   SER  15          1HB       SER  15   2.642   0.892   6.816
   99    HG   SER  15           HG       SER  15   0.606   2.480   7.138
  100    H    ASP  16           H        ASP  16   0.552   0.039   9.000
  101    HA   ASP  16           HA       ASP  16   2.203  -2.042  10.091
  102   1HB   ASP  16          1HB       ASP  16  -0.595  -1.300  10.198
  103   2HB   ASP  16          1HB       ASP  16  -0.276  -3.037  10.285
  104    H    LEU  17           H        LEU  17   1.729  -1.270   7.194
  105    HA   LEU  17           HA       LEU  17   2.213  -3.889   6.225
  106   1HB   LEU  17          1HB       LEU  17  -0.518  -2.917   5.988
  107   2HB   LEU  17          1HB       LEU  17   0.193  -3.299   4.429
  108    HG   LEU  17           HG       LEU  17   0.032  -5.175   6.784
  109   1HD1  LEU  17          1HD1      LEU  17  -2.134  -4.740   5.724
  110   2HD1  LEU  17          2HD1      LEU  17  -1.587  -6.392   5.444
  111   3HD1  LEU  17          3HD1      LEU  17  -1.454  -5.188   4.162
  112   1HD2  LEU  17          1HD2      LEU  17   2.030  -5.435   5.280
  113   2HD2  LEU  17          2HD2      LEU  17   0.908  -5.772   3.964
  114   3HD2  LEU  17          3HD2      LEU  17   0.969  -6.841   5.366
  115    H    VAL  18           H        VAL  18   3.847  -3.544   4.925
  116    HA   VAL  18           HA       VAL  18   3.660  -1.318   3.028
  117    HB   VAL  18           HB       VAL  18   6.232  -2.002   4.449
  118   1HG1  VAL  18          1HG1      VAL  18   6.598   0.490   3.692
  119   2HG1  VAL  18          2HG1      VAL  18   5.336   0.091   2.526
  120   3HG1  VAL  18          3HG1      VAL  18   6.828  -0.850   2.566
  121   1HG2  VAL  18          1HG2      VAL  18   5.330   0.520   5.340
  122   2HG2  VAL  18          2HG2      VAL  18   5.550  -0.949   6.285
  123   3HG2  VAL  18          3HG2      VAL  18   3.987  -0.600   5.556
  124    H    ILE  19           H        ILE  19   3.859  -2.174   1.043
  125    HA   ILE  19           HA       ILE  19   5.834  -4.249   0.564
  126    HB   ILE  19           HB       ILE  19   4.175  -5.777  -0.389
  127   1HG1  ILE  19          1HG1      ILE  19   1.788  -4.683   0.779
  128   2HG1  ILE  19          1HG1      ILE  19   2.509  -3.495  -0.300
  129   1HG2  ILE  19          1HG2      ILE  19   4.788  -5.736   2.109
  130   2HG2  ILE  19          2HG2      ILE  19   3.437  -6.706   1.561
  131   3HG2  ILE  19          3HG2      ILE  19   3.143  -5.155   2.334
  132   1HD1  ILE  19          1HD1      ILE  19   2.294  -6.257  -1.315
  133   2HD1  ILE  19          2HD1      ILE  19   2.082  -4.716  -2.147
  134   3HD1  ILE  19          3HD1      ILE  19   0.795  -5.348  -1.120
  135    H    ARG  20           H        ARG  20   6.106  -4.758  -1.615
  136    HA   ARG  20           HA       ARG  20   5.222  -2.639  -3.418
  137   1HB   ARG  20          1HB       ARG  20   7.113  -2.851  -4.687
  138   2HB   ARG  20          1HB       ARG  20   7.744  -3.300  -3.118
  139   1HG   ARG  20          1HG       ARG  20   8.281  -5.352  -3.806
  140   2HG   ARG  20          1HG       ARG  20   6.773  -5.561  -4.686
  141   1HD   ARG  20          1HD       ARG  20   7.631  -4.217  -6.517
  142   2HD   ARG  20          1HD       ARG  20   9.118  -3.921  -5.626
  143    HE   ARG  20           HE       ARG  20   8.296  -6.556  -6.660
  144   1HH1  ARG  20          1HH1      ARG  20  10.802  -4.275  -5.782
  145   2HH1  ARG  20          2HH1      ARG  20  12.078  -5.267  -6.399
  146   1HH2  ARG  20          1HH2      ARG  20   9.974  -7.840  -7.469
  147   2HH2  ARG  20          2HH2      ARG  20  11.611  -7.285  -7.355
  148    H    ALA  21           H        ALA  21   3.989  -2.995  -4.940
  149    HA   ALA  21           HA       ALA  21   3.243  -5.697  -5.863
  150   1HB   ALA  21          1HB       ALA  21   1.759  -5.515  -4.048
  151   2HB   ALA  21          2HB       ALA  21   0.800  -5.246  -5.503
  152   3HB   ALA  21          3HB       ALA  21   1.290  -3.882  -4.507
  153    H    LYS  22           H        LYS  22   1.329  -5.629  -7.269
  154    HA   LYS  22           HA       LYS  22   1.349  -3.427  -9.214
  155   1HB   LYS  22          1HB       LYS  22   1.855  -6.295  -9.624
  156   2HB   LYS  22          1HB       LYS  22   0.710  -5.598 -10.751
  157   1HG   LYS  22          1HG       LYS  22   2.460  -3.920 -11.292
  158   2HG   LYS  22          1HG       LYS  22   3.568  -4.811 -10.247
  159   1HD   LYS  22          1HD       LYS  22   2.096  -6.338 -12.312
  160   2HD   LYS  22          1HD       LYS  22   3.377  -5.269 -12.867
  161   1HE   LYS  22          1HE       LYS  22   3.654  -7.452 -10.813
  162   2HE   LYS  22          1HE       LYS  22   4.198  -7.527 -12.486
  163   1HZ   LYS  22          1HZ       LYS  22   5.720  -6.747 -10.425
  164   2HZ   LYS  22          2HZ       LYS  22   5.188  -5.259 -11.026
  165   3HZ   LYS  22          3HZ       LYS  22   6.007  -6.334 -12.041
  166    H    PHE  23           H        PHE  23  -0.743  -2.945 -10.066
  167    HA   PHE  23           HA       PHE  23  -2.933  -4.177  -8.533
  168   1HB   PHE  23          1HB       PHE  23  -2.664  -1.596 -10.045
  169   2HB   PHE  23          1HB       PHE  23  -4.263  -2.280  -9.773
  170    HD1  PHE  23          1HD       PHE  23  -1.171  -1.292  -7.970
  171    HD2  PHE  23          2HD       PHE  23  -5.387  -1.837  -7.801
  172    HE1  PHE  23          1HE       PHE  23  -1.204  -0.299  -5.721
  173    HE2  PHE  23          2HE       PHE  23  -5.430  -0.843  -5.550
  174    HZ   PHE  23           HZ       PHE  23  -3.336  -0.073  -4.507
  175    H    VAL  24           H        VAL  24  -3.998  -5.679  -9.244
  176    HA   VAL  24           HA       VAL  24  -4.374  -5.986 -12.119
  177    HB   VAL  24           HB       VAL  24  -4.056  -8.389 -11.738
  178   1HG1  VAL  24          1HG1      VAL  24  -1.605  -6.965 -10.868
  179   2HG1  VAL  24          2HG1      VAL  24  -2.295  -6.672 -12.456
  180   3HG1  VAL  24          3HG1      VAL  24  -1.764  -8.293 -12.017
  181   1HG2  VAL  24          1HG2      VAL  24  -2.614  -8.838  -9.598
  182   2HG2  VAL  24          2HG2      VAL  24  -4.372  -8.927  -9.549
  183   3HG2  VAL  24          3HG2      VAL  24  -3.549  -7.479  -8.977
  184    H    GLY  25           H        GLY  25  -6.280  -4.843 -10.448
  185   1HA   GLY  25          2HA       GLY  25  -8.553  -6.429 -11.025
  186   2HA   GLY  25          1HA       GLY  25  -8.240  -6.440  -9.299
  187    H    THR  26           H        THR  26 -10.587  -5.308 -10.277
  188    HA   THR  26           HA       THR  26 -10.104  -2.432 -10.301
  189    HB   THR  26           HB       THR  26 -11.448  -3.458 -12.091
  190    HG1  THR  26          1HG       THR  26 -12.194  -1.492 -11.967
  191   1HG2  THR  26          1HG2      THR  26 -13.674  -4.281 -11.669
  192   2HG2  THR  26          2HG2      THR  26 -13.451  -4.059  -9.935
  193   3HG2  THR  26          3HG2      THR  26 -12.490  -5.257 -10.801
  194    HA   PRO  27           HA       PRO  27 -11.562  -1.681  -6.209
  195   1HB   PRO  27          1HB       PRO  27 -12.693   0.782  -6.575
  196   2HB   PRO  27          1HB       PRO  27 -10.965   0.494  -6.408
  197   1HG   PRO  27          1HG       PRO  27 -12.585   0.931  -8.875
  198   2HG   PRO  27          1HG       PRO  27 -10.964   1.529  -8.479
  199   1HD   PRO  27          1HD       PRO  27 -11.379  -0.566 -10.134
  200   2HD   PRO  27          1HD       PRO  27  -9.951  -0.444  -9.090
  201    H    GLU  28           H        GLU  28 -13.200  -2.777  -5.403
  202    HA   GLU  28           HA       GLU  28 -15.810  -2.794  -6.625
  203   1HB   GLU  28          1HB       GLU  28 -14.500  -4.161  -4.393
  204   2HB   GLU  28          1HB       GLU  28 -16.172  -3.731  -4.045
  205   1HG   GLU  28          1HG       GLU  28 -17.012  -5.146  -5.604
  206   2HG   GLU  28          1HG       GLU  28 -15.610  -4.984  -6.662
  207    H    VAL  29           H        VAL  29 -17.777  -2.068  -5.316
  208    HA   VAL  29           HA       VAL  29 -17.140   0.024  -3.414
  209    HB   VAL  29           HB       VAL  29 -18.933   1.004  -5.569
  210   1HG1  VAL  29          1HG1      VAL  29 -18.993   2.320  -3.633
  211   2HG1  VAL  29          2HG1      VAL  29 -17.936   3.190  -4.745
  212   3HG1  VAL  29          3HG1      VAL  29 -17.243   2.246  -3.427
  213   1HG2  VAL  29          1HG2      VAL  29 -16.171   0.431  -5.996
  214   2HG2  VAL  29          2HG2      VAL  29 -16.382   2.174  -5.945
  215   3HG2  VAL  29          3HG2      VAL  29 -17.316   1.204  -7.083
  216    H    ASN  30           H        ASN  30 -18.402  -1.129  -1.846
  217    HA   ASN  30           HA       ASN  30 -21.162  -1.650  -2.433
  218   1HB   ASN  30          1HB       ASN  30 -19.587  -2.632  -0.490
  219   2HB   ASN  30          1HB       ASN  30 -20.384  -1.345   0.410
  220   1HD2  ASN  30          1HD2      ASN  30 -22.211  -1.851   1.372
  221   2HD2  ASN  30          2HD2      ASN  30 -23.284  -3.117   0.901
  222    H    GLN  31           H        GLN  31 -22.955  -0.575  -1.564
  223    HA   GLN  31           HA       GLN  31 -22.649   2.310  -1.482
  224   1HB   GLN  31          1HB       GLN  31 -25.162   0.674  -1.128
  225   2HB   GLN  31          1HB       GLN  31 -25.083   2.394  -1.504
  226   1HG   GLN  31          1HG       GLN  31 -24.044   0.234  -3.310
  227   2HG   GLN  31          1HG       GLN  31 -25.677   0.890  -3.410
  228   1HE2  GLN  31          1HE2      GLN  31 -22.344   1.399  -4.091
  229   2HE2  GLN  31          2HE2      GLN  31 -22.518   2.889  -4.950
  230    H    THR  32           H        THR  32 -22.525  -0.205   0.696
  231    HA   THR  32           HA       THR  32 -23.112   1.609   2.918
  232    HB   THR  32           HB       THR  32 -24.454  -0.907   2.076
  233    HG1  THR  32          1HG       THR  32 -26.200   0.241   3.174
  234   1HG2  THR  32          1HG2      THR  32 -23.452  -1.487   4.335
  235   2HG2  THR  32          2HG2      THR  32 -25.197  -1.624   4.172
  236   3HG2  THR  32          3HG2      THR  32 -24.499  -0.234   5.000
  237    H    THR  33           H        THR  33 -20.564   0.851   1.919
  238    HA   THR  33           HA       THR  33 -19.634  -1.061   3.915
  239    HB   THR  33           HB       THR  33 -18.592  -1.733   2.014
  240    HG1  THR  33          1HG       THR  33 -16.579  -1.226   2.167
  241   1HG2  THR  33          1HG2      THR  33 -18.284  -0.634   0.011
  242   2HG2  THR  33          2HG2      THR  33 -18.101   0.925   0.810
  243   3HG2  THR  33          3HG2      THR  33 -19.694   0.203   0.648
  244    H    LEU  34           H        LEU  34 -18.924   1.979   2.282
  245    HA   LEU  34           HA       LEU  34 -18.219   3.973   3.335
  246   1HB   LEU  34          1HB       LEU  34 -17.929   2.118   5.615
  247   2HB   LEU  34          1HB       LEU  34 -16.762   3.377   5.507
  248    HG   LEU  34           HG       LEU  34 -19.744   3.743   5.628
  249   1HD1  LEU  34          1HD1      LEU  34 -18.163   4.876   7.779
  250   2HD1  LEU  34          2HD1      LEU  34 -17.990   3.124   7.670
  251   3HD1  LEU  34          3HD1      LEU  34 -19.591   3.842   7.848
  252   1HD2  LEU  34          1HD2      LEU  34 -17.997   5.440   4.445
  253   2HD2  LEU  34          2HD2      LEU  34 -17.934   6.012   6.118
  254   3HD2  LEU  34          3HD2      LEU  34 -19.477   5.953   5.265
  255    H    TYR  35           H        TYR  35 -16.878   1.056   2.568
  256    HA   TYR  35           HA       TYR  35 -14.377   2.213   1.677
  257   1HB   TYR  35          1HB       TYR  35 -13.310  -0.076   2.385
  258   2HB   TYR  35          1HB       TYR  35 -13.397   1.276   3.489
  259    HD1  TYR  35          1HD       TYR  35 -14.320  -2.118   2.911
  260    HD2  TYR  35          2HD       TYR  35 -15.212   1.370   5.153
  261    HE1  TYR  35          1HE       TYR  35 -15.497  -3.498   4.592
  262    HE2  TYR  35          2HE       TYR  35 -16.373   0.038   6.821
  263    HH   TYR  35           HH       TYR  35 -17.584  -2.692   6.505
  264    H    GLN  36           H        GLN  36 -13.137   0.779   0.282
  265    HA   GLN  36           HA       GLN  36 -14.935  -0.835  -1.385
  266   1HB   GLN  36          1HB       GLN  36 -12.898   1.244  -2.127
  267   2HB   GLN  36          1HB       GLN  36 -13.571   0.113  -3.300
  268   1HG   GLN  36          1HG       GLN  36 -15.620   1.123  -3.274
  269   2HG   GLN  36          1HG       GLN  36 -15.425   1.694  -1.618
  270   1HE2  GLN  36          1HE2      GLN  36 -13.846   2.126  -4.777
  271   2HE2  GLN  36          2HE2      GLN  36 -13.697   3.843  -4.655
  272    H    ARG  37           H        ARG  37 -13.193  -1.874  -3.185
  273    HA   ARG  37           HA       ARG  37 -10.954  -2.996  -1.662
  274   1HB   ARG  37          1HB       ARG  37 -13.391  -4.431  -2.491
  275   2HB   ARG  37          1HB       ARG  37 -11.873  -5.258  -2.816
  276   1HG   ARG  37          1HG       ARG  37 -11.440  -4.494  -0.282
  277   2HG   ARG  37          1HG       ARG  37 -13.197  -4.658  -0.258
  278   1HD   ARG  37          1HD       ARG  37 -11.752  -6.836  -1.597
  279   2HD   ARG  37          1HD       ARG  37 -11.458  -6.697   0.127
  280    HE   ARG  37           HE       ARG  37 -13.811  -6.990   0.500
  281   1HH1  ARG  37          1HH1      ARG  37 -12.728  -7.651  -2.760
  282   2HH1  ARG  37          2HH1      ARG  37 -14.104  -8.626  -3.144
  283   1HH2  ARG  37          1HH2      ARG  37 -15.616  -8.267  -0.017
  284   2HH2  ARG  37          2HH2      ARG  37 -15.741  -8.974  -1.593
  285    H    TYR  38           H        TYR  38  -9.193  -3.181  -2.832
  286    HA   TYR  38           HA       TYR  38  -9.378  -3.208  -5.785
  287   1HB   TYR  38          1HB       TYR  38  -7.329  -2.071  -3.894
  288   2HB   TYR  38          1HB       TYR  38  -6.903  -2.422  -5.554
  289    HD1  TYR  38          1HD       TYR  38  -8.172  -0.047  -3.268
  290    HD2  TYR  38          2HD       TYR  38  -8.299  -1.136  -7.372
  291    HE1  TYR  38          1HE       TYR  38  -8.860   2.223  -3.836
  292    HE2  TYR  38          2HE       TYR  38  -9.006   1.133  -7.957
  293    HH   TYR  38           HH       TYR  38  -9.145   3.699  -5.552
  294    H    GLU  39           H        GLU  39  -8.146  -4.794  -6.877
  295    HA   GLU  39           HA       GLU  39  -6.916  -6.857  -5.178
  296   1HB   GLU  39          1HB       GLU  39  -8.776  -7.375  -6.934
  297   2HB   GLU  39          1HB       GLU  39  -7.498  -7.152  -8.116
  298   1HG   GLU  39          1HG       GLU  39  -6.395  -8.888  -6.268
  299   2HG   GLU  39          1HG       GLU  39  -8.069  -9.415  -6.422
  300    H    ILE  40           H        ILE  40  -4.706  -7.310  -5.424
  301    HA   ILE  40           HA       ILE  40  -3.393  -5.825  -7.596
  302    HB   ILE  40           HB       ILE  40  -1.586  -5.279  -5.827
  303   1HG1  ILE  40          1HG1      ILE  40  -3.904  -5.325  -3.927
  304   2HG1  ILE  40          1HG1      ILE  40  -2.889  -6.750  -4.128
  305   1HG2  ILE  40          1HG2      ILE  40  -3.867  -3.913  -6.781
  306   2HG2  ILE  40          2HG2      ILE  40  -2.353  -3.229  -6.192
  307   3HG2  ILE  40          3HG2      ILE  40  -3.688  -3.502  -5.075
  308   1HD1  ILE  40          1HD1      ILE  40  -2.340  -5.112  -2.239
  309   2HD1  ILE  40          2HD1      ILE  40  -1.690  -4.081  -3.515
  310   3HD1  ILE  40          3HD1      ILE  40  -1.018  -5.692  -3.254
  311    H    LYS  41           H        LYS  41  -1.750  -6.780  -8.532
  312    HA   LYS  41           HA       LYS  41  -1.017  -9.434  -7.826
  313   1HB   LYS  41          1HB       LYS  41  -0.947  -8.316 -10.160
  314   2HB   LYS  41          1HB       LYS  41   0.621  -7.718  -9.665
  315   1HG   LYS  41          1HG       LYS  41   0.118 -10.613  -9.353
  316   2HG   LYS  41          1HG       LYS  41   0.282  -9.992 -10.996
  317   1HD   LYS  41          1HD       LYS  41   2.449  -9.063 -10.475
  318   2HD   LYS  41          1HD       LYS  41   2.277  -9.530  -8.781
  319   1HE   LYS  41          1HE       LYS  41   2.913 -11.637  -9.185
  320   2HE   LYS  41          1HE       LYS  41   1.905 -11.756 -10.627
  321   1HZ   LYS  41          1HZ       LYS  41   4.689 -11.396 -10.456
  322   2HZ   LYS  41          2HZ       LYS  41   4.020 -10.050 -11.233
  323   3HZ   LYS  41          3HZ       LYS  41   3.734 -11.604 -11.837
  324    H    MET  42           H        MET  42  -0.387  -9.122  -5.695
  325    HA   MET  42           HA       MET  42   1.512  -7.438  -4.656
  326   1HB   MET  42          1HB       MET  42   0.339  -8.706  -3.103
  327   2HB   MET  42          1HB       MET  42   0.580 -10.201  -3.988
  328   1HG   MET  42          1HG       MET  42   3.095  -9.141  -3.068
  329   2HG   MET  42          1HG       MET  42   1.948  -9.312  -1.740
  330   1HE   MET  42          1HE       MET  42   0.781 -11.721  -1.087
  331   2HE   MET  42          2HE       MET  42   0.864 -13.073  -2.217
  332   3HE   MET  42          3HE       MET  42   0.136 -11.548  -2.713
  333    H    THR  43           H        THR  43   3.737  -7.268  -4.807
  334    HA   THR  43           HA       THR  43   4.941  -9.274  -6.510
  335    HB   THR  43           HB       THR  43   6.882  -7.340  -6.109
  336    HG1  THR  43          1HG       THR  43   5.835  -5.413  -6.483
  337   1HG2  THR  43          1HG2      THR  43   4.879  -7.571  -8.336
  338   2HG2  THR  43          2HG2      THR  43   6.417  -8.425  -8.223
  339   3HG2  THR  43          3HG2      THR  43   6.393  -6.671  -8.405
  340    H    LYS  44           H        LYS  44   5.979  -7.383  -3.647
  341    HA   LYS  44           HA       LYS  44   6.951  -9.747  -2.290
  342   1HB   LYS  44          1HB       LYS  44   8.755  -7.407  -2.984
  343   2HB   LYS  44          1HB       LYS  44   9.173  -8.701  -1.875
  344   1HG   LYS  44          1HG       LYS  44   8.675 -10.206  -3.980
  345   2HG   LYS  44          1HG       LYS  44   9.033  -8.707  -4.840
  346   1HD   LYS  44          1HD       LYS  44  10.881  -9.637  -2.686
  347   2HD   LYS  44          1HD       LYS  44  10.951 -10.403  -4.274
  348   1HE   LYS  44          1HE       LYS  44  12.422  -8.735  -4.683
  349   2HE   LYS  44          1HE       LYS  44  10.950  -7.831  -5.025
  350   1HZ   LYS  44          1HZ       LYS  44  11.120  -6.644  -3.107
  351   2HZ   LYS  44          2HZ       LYS  44  12.764  -6.912  -3.394
  352   3HZ   LYS  44          3HZ       LYS  44  11.938  -7.866  -2.268
  353    H    MET  45           H        MET  45   7.006  -9.345   0.014
  354    HA   MET  45           HA       MET  45   5.600  -6.914   0.826
  355   1HB   MET  45          1HB       MET  45   6.156  -9.568   2.110
  356   2HB   MET  45          1HB       MET  45   5.686  -8.199   3.102
  357   1HG   MET  45          1HG       MET  45   3.924  -9.904   2.211
  358   2HG   MET  45          1HG       MET  45   3.562  -8.194   2.337
  359   1HE   MET  45          1HE       MET  45   4.138 -11.103  -0.710
  360   2HE   MET  45          2HE       MET  45   5.534 -10.450   0.138
  361   3HE   MET  45          3HE       MET  45   5.184  -9.934  -1.510
  362    H    TYR  46           H        TYR  46   6.505  -5.355   2.287
  363    HA   TYR  46           HA       TYR  46   9.327  -5.773   2.985
  364   1HB   TYR  46          1HB       TYR  46   7.968  -3.168   2.296
  365   2HB   TYR  46          1HB       TYR  46   9.657  -3.372   2.722
  366    HD1  TYR  46          1HD       TYR  46  11.085  -3.179   0.919
  367    HD2  TYR  46          2HD       TYR  46   7.293  -4.940   0.285
  368    HE1  TYR  46          1HE       TYR  46  11.650  -3.474  -1.436
  369    HE2  TYR  46          2HE       TYR  46   7.837  -5.252  -2.077
  370    HH   TYR  46           HH       TYR  46  10.547  -3.763  -3.553
  371    H    LYS  47           H        LYS  47   6.538  -5.993   4.428
  372    HA   LYS  47           HA       LYS  47   7.336  -5.653   6.997
  373   1HB   LYS  47          1HB       LYS  47   7.234  -3.129   6.129
  374   2HB   LYS  47          1HB       LYS  47   5.531  -3.327   6.521
  375   1HG   LYS  47          1HG       LYS  47   6.600  -4.317   8.760
  376   2HG   LYS  47          1HG       LYS  47   7.888  -3.204   8.298
  377   1HD   LYS  47          1HD       LYS  47   6.511  -1.901   9.641
  378   2HD   LYS  47          1HD       LYS  47   5.988  -1.483   8.010
  379   1HE   LYS  47          1HE       LYS  47   3.917  -2.090   8.530
  380   2HE   LYS  47          1HE       LYS  47   4.481  -3.732   8.832
  381   1HZ   LYS  47          1HZ       LYS  47   5.161  -2.797  11.108
  382   2HZ   LYS  47          2HZ       LYS  47   3.527  -3.123  10.831
  383   3HZ   LYS  47          3HZ       LYS  47   4.096  -1.531  10.756
  384    H    GLY  48           H        GLY  48   6.025  -7.172   7.815
  385   1HA   GLY  48          2HA       GLY  48   3.347  -7.033   8.274
  386   2HA   GLY  48          1HA       GLY  48   3.442  -7.700   6.649
  387    H    PHE  49           H        PHE  49   6.174  -8.869   8.078
  388    HA   PHE  49           HA       PHE  49   4.906 -11.411   8.638
  389   1HB   PHE  49          1HB       PHE  49   7.804 -10.797   9.156
  390   2HB   PHE  49          1HB       PHE  49   7.055 -12.340   8.763
  391    HD1  PHE  49          1HD       PHE  49   9.178  -9.986   7.518
  392    HD2  PHE  49          2HD       PHE  49   5.678 -12.124   6.398
  393    HE1  PHE  49          1HE       PHE  49   9.737  -9.651   5.145
  394    HE2  PHE  49          2HE       PHE  49   6.239 -11.797   4.033
  395    HZ   PHE  49           HZ       PHE  49   8.262 -10.560   3.396
  396    H    GLN  50           H        GLN  50   4.979  -8.695  10.196
  397    HA   GLN  50           HA       GLN  50   5.622  -9.748  12.851
  398   1HB   GLN  50          1HB       GLN  50   4.729  -7.310  13.456
  399   2HB   GLN  50          1HB       GLN  50   6.392  -7.568  12.959
  400   1HG   GLN  50          1HG       GLN  50   6.105  -6.061  11.370
  401   2HG   GLN  50          1HG       GLN  50   4.939  -7.126  10.596
  402   1HE2  GLN  50          1HE2      GLN  50   3.083  -6.202  10.176
  403   2HE2  GLN  50          2HE2      GLN  50   2.336  -4.940  11.091
  404    H    ALA  51           H        ALA  51   3.061  -7.910  11.174
  405    HA   ALA  51           HA       ALA  51   0.924  -8.534  12.776
  406   1HB   ALA  51          1HB       ALA  51  -0.387  -7.703  11.107
  407   2HB   ALA  51          2HB       ALA  51   0.453  -8.615   9.853
  408   3HB   ALA  51          3HB       ALA  51   1.177  -7.147  10.510
  409    H    LEU  52           H        LEU  52   2.167 -10.338   9.962
  410    HA   LEU  52           HA       LEU  52   0.963 -12.764  11.081
  411   1HB   LEU  52          1HB       LEU  52   0.865 -13.245   8.382
  412   2HB   LEU  52          1HB       LEU  52  -0.485 -12.790   9.397
  413    HG   LEU  52           HG       LEU  52   0.501 -10.336   8.756
  414   1HD1  LEU  52          1HD1      LEU  52   2.133 -10.850   7.214
  415   2HD1  LEU  52          2HD1      LEU  52   0.731 -10.589   6.181
  416   3HD1  LEU  52          3HD1      LEU  52   1.245 -12.230   6.574
  417   1HD2  LEU  52          1HD2      LEU  52  -1.270 -10.633   6.786
  418   2HD2  LEU  52          2HD2      LEU  52  -1.739 -10.498   8.480
  419   3HD2  LEU  52          3HD2      LEU  52  -1.642 -12.084   7.715
  420    H    GLY  53           H        GLY  53   2.589 -12.937   7.962
  421   1HA   GLY  53          2HA       GLY  53   5.205 -13.268   8.719
  422   2HA   GLY  53          1HA       GLY  53   4.431 -14.793   9.096
  423    H    ASP  54           H        ASP  54   2.616 -14.825   6.970
  424    HA   ASP  54           HA       ASP  54   4.329 -15.787   4.888
  425   1HB   ASP  54          1HB       ASP  54   1.893 -16.583   5.838
  426   2HB   ASP  54          1HB       ASP  54   1.426 -15.699   4.388
  427    H    ALA  55           H        ALA  55   5.233 -14.209   3.824
  428    HA   ALA  55           HA       ALA  55   4.573 -11.681   3.240
  429   1HB   ALA  55          1HB       ALA  55   5.590 -12.891   0.822
  430   2HB   ALA  55          2HB       ALA  55   6.418 -13.508   2.251
  431   3HB   ALA  55          3HB       ALA  55   6.372 -11.773   1.940
  432    H    ALA  56           H        ALA  56   2.778 -14.384   2.056
  433    HA   ALA  56           HA       ALA  56   1.558 -12.669   0.031
  434   1HB   ALA  56          1HB       ALA  56   0.407 -15.049  -0.436
  435   2HB   ALA  56          2HB       ALA  56   1.940 -15.568   0.265
  436   3HB   ALA  56          3HB       ALA  56   1.928 -14.531  -1.161
  437    H    ASP  57           H        ASP  57   1.023 -12.373   2.860
  438    HA   ASP  57           HA       ASP  57  -1.757 -13.258   3.069
  439   1HB   ASP  57          1HB       ASP  57   0.257 -13.174   4.938
  440   2HB   ASP  57          1HB       ASP  57  -0.612 -11.680   5.278
  441    H    ILE  58           H        ILE  58  -0.656 -10.981   1.313
  442    HA   ILE  58           HA       ILE  58  -2.680  -9.001   2.097
  443    HB   ILE  58           HB       ILE  58   0.017  -8.032   1.229
  444   1HG1  ILE  58          1HG1      ILE  58  -0.332  -7.669   4.056
  445   2HG1  ILE  58          1HG1      ILE  58  -0.404  -9.381   3.671
  446   1HG2  ILE  58          1HG2      ILE  58  -1.893  -6.612   3.018
  447   2HG2  ILE  58          2HG2      ILE  58  -2.200  -6.696   1.281
  448   3HG2  ILE  58          3HG2      ILE  58  -0.714  -5.956   1.884
  449   1HD1  ILE  58          1HD1      ILE  58   1.745  -9.406   2.801
  450   2HD1  ILE  58          2HD1      ILE  58   1.858  -8.379   4.234
  451   3HD1  ILE  58          3HD1      ILE  58   1.786  -7.650   2.630
  452    H    ARG  59           H        ARG  59  -3.820  -9.817   0.094
  453    HA   ARG  59           HA       ARG  59  -2.401  -8.943  -2.331
  454   1HB   ARG  59          1HB       ARG  59  -4.560 -11.030  -2.073
  455   2HB   ARG  59          1HB       ARG  59  -3.692 -10.602  -3.541
  456   1HG   ARG  59          1HG       ARG  59  -1.586 -11.236  -2.232
  457   2HG   ARG  59          1HG       ARG  59  -2.688 -12.032  -1.114
  458   1HD   ARG  59          1HD       ARG  59  -1.685 -13.450  -2.994
  459   2HD   ARG  59          1HD       ARG  59  -3.423 -13.551  -2.729
  460    HE   ARG  59           HE       ARG  59  -3.788 -12.451  -4.745
  461   1HH1  ARG  59          1HH1      ARG  59  -0.371 -12.710  -4.076
  462   2HH1  ARG  59          2HH1      ARG  59   0.104 -12.203  -5.658
  463   1HH2  ARG  59          1HH2      ARG  59  -3.159 -11.799  -6.833
  464   2HH2  ARG  59          2HH2      ARG  59  -1.474 -11.691  -7.224
  465    H    PHE  60           H        PHE  60  -4.799  -7.781  -0.429
  466    HA   PHE  60           HA       PHE  60  -5.992  -6.257  -2.579
  467   1HB   PHE  60          1HB       PHE  60  -7.522  -7.762  -0.440
  468   2HB   PHE  60          1HB       PHE  60  -8.228  -6.613  -1.566
  469    HD1  PHE  60          1HD       PHE  60  -6.345  -9.831  -1.490
  470    HD2  PHE  60          2HD       PHE  60  -9.159  -7.365  -3.516
  471    HE1  PHE  60          1HE       PHE  60  -6.820 -11.667  -3.059
  472    HE2  PHE  60          2HE       PHE  60  -9.638  -9.192  -5.086
  473    HZ   PHE  60           HZ       PHE  60  -8.469 -11.348  -4.861
  474    H    VAL  61           H        VAL  61  -6.679  -4.371  -2.030
  475    HA   VAL  61           HA       VAL  61  -5.888  -3.380   0.620
  476    HB   VAL  61           HB       VAL  61  -5.842  -1.186  -0.887
  477   1HG1  VAL  61          1HG1      VAL  61  -3.695  -3.170  -0.386
  478   2HG1  VAL  61          2HG1      VAL  61  -4.023  -1.662   0.468
  479   3HG1  VAL  61          3HG1      VAL  61  -3.372  -1.625  -1.170
  480   1HG2  VAL  61          1HG2      VAL  61  -4.442  -2.808  -2.820
  481   2HG2  VAL  61          2HG2      VAL  61  -5.492  -1.411  -3.047
  482   3HG2  VAL  61          3HG2      VAL  61  -6.188  -3.013  -2.835
  483    H    TYR  62           H        TYR  62  -7.525  -2.738   1.838
  484    HA   TYR  62           HA       TYR  62 -10.058  -1.963   0.658
  485   1HB   TYR  62          1HB       TYR  62  -9.324  -2.520   3.537
  486   2HB   TYR  62          1HB       TYR  62 -10.948  -2.259   2.922
  487    HD1  TYR  62          1HD       TYR  62 -12.120  -4.213   3.183
  488    HD2  TYR  62          2HD       TYR  62  -8.146  -4.438   1.664
  489    HE1  TYR  62          1HE       TYR  62 -12.381  -6.632   2.850
  490    HE2  TYR  62          2HE       TYR  62  -8.401  -6.841   1.331
  491    HH   TYR  62           HH       TYR  62  -9.716  -8.628   1.621
  492    H    THR  63           H        THR  63 -10.301   0.098   0.277
  493    HA   THR  63           HA       THR  63  -9.396   2.110   2.236
  494    HB   THR  63           HB       THR  63  -8.187   2.548   0.278
  495    HG1  THR  63          1HG       THR  63  -8.830   4.503   0.713
  496   1HG2  THR  63          1HG2      THR  63 -10.660   2.507  -1.410
  497   2HG2  THR  63          2HG2      THR  63  -9.613   1.100  -1.220
  498   3HG2  THR  63          3HG2      THR  63  -8.978   2.581  -1.932
  499    HA   PRO  64           HA       PRO  64 -13.654   2.971   3.161
  500   1HB   PRO  64          1HB       PRO  64 -12.742   5.753   3.437
  501   2HB   PRO  64          1HB       PRO  64 -13.583   4.726   4.593
  502   1HG   PRO  64          1HG       PRO  64 -10.933   5.349   4.761
  503   2HG   PRO  64          1HG       PRO  64 -11.644   3.872   5.429
  504   1HD   PRO  64          1HD       PRO  64  -9.886   4.218   3.108
  505   2HD   PRO  64          1HD       PRO  64 -10.251   2.755   4.039
  506    H    ALA  65           H        ALA  65 -15.368   3.618   2.086
  507    HA   ALA  65           HA       ALA  65 -15.127   5.190  -0.291
  508   1HB   ALA  65          1HB       ALA  65 -17.126   3.097   0.448
  509   2HB   ALA  65          2HB       ALA  65 -15.888   3.000  -0.800
  510   3HB   ALA  65          3HB       ALA  65 -17.247   4.099  -0.999
  511    H    MET  66           H        MET  66 -15.220   6.805   1.816
  512    HA   MET  66           HA       MET  66 -18.007   7.762   1.844
  513   1HB   MET  66          1HB       MET  66 -16.988   8.820   4.145
  514   2HB   MET  66          1HB       MET  66 -17.977   7.375   4.051
  515   1HG   MET  66          1HG       MET  66 -16.159   5.959   4.309
  516   2HG   MET  66          1HG       MET  66 -15.005   7.196   3.817
  517   1HE   MET  66          1HE       MET  66 -15.101   5.847   7.790
  518   2HE   MET  66          2HE       MET  66 -13.891   5.870   6.508
  519   3HE   MET  66          3HE       MET  66 -15.440   5.069   6.244
  520    H    GLU  67           H        GLU  67 -18.109  10.137   2.563
  521    HA   GLU  67           HA       GLU  67 -16.468  11.636   0.738
  522   1HB   GLU  67          1HB       GLU  67 -18.721  12.342   2.599
  523   2HB   GLU  67          1HB       GLU  67 -17.803  13.590   1.771
  524   1HG   GLU  67          1HG       GLU  67 -19.632  13.264   0.396
  525   2HG   GLU  67          1HG       GLU  67 -18.372  12.301  -0.374
  526    H    SER  68           H        SER  68 -14.865  13.067   1.195
  527    HA   SER  68           HA       SER  68 -13.219  14.150   2.307
  528   1HB   SER  68          1HB       SER  68 -13.646  15.136   4.382
  529   2HB   SER  68          1HB       SER  68 -15.251  14.947   3.677
  530    HG   SER  68           HG       SER  68 -15.751  13.675   5.261
  531    H    VAL  69           H        VAL  69 -13.861  10.995   2.683
  532    HA   VAL  69           HA       VAL  69 -12.064  10.274   4.801
  533    HB   VAL  69           HB       VAL  69 -14.073   8.958   3.863
  534   1HG1  VAL  69          1HG1      VAL  69 -12.092   8.487   1.705
  535   2HG1  VAL  69          2HG1      VAL  69 -13.833   8.651   1.634
  536   3HG1  VAL  69          3HG1      VAL  69 -13.121   7.152   2.206
  537   1HG2  VAL  69          1HG2      VAL  69 -13.338   7.078   4.899
  538   2HG2  VAL  69          2HG2      VAL  69 -12.150   8.235   5.496
  539   3HG2  VAL  69          3HG2      VAL  69 -11.739   7.151   4.172
  540    H    CYS  70           H        CYS  70 -10.850   8.146   3.067
  541    HA   CYS  70           HA       CYS  70  -8.653   9.714   2.000
  542   1HB   CYS  70          1HB       CYS  70  -8.469   6.819   1.729
  543   2HB   CYS  70          1HB       CYS  70  -7.339   7.918   2.495
  544    H    GLY  71           H        GLY  71 -10.352   6.844   1.203
  545   1HA   GLY  71          2HA       GLY  71 -11.295   6.106  -0.795
  546   2HA   GLY  71          1HA       GLY  71 -11.563   7.811  -1.183
  547    H    TYR  72           H        TYR  72  -9.135   5.331  -1.032
  548    HA   TYR  72           HA       TYR  72  -7.122   6.700  -2.450
  549   1HB   TYR  72          1HB       TYR  72  -6.747   4.756  -0.946
  550   2HB   TYR  72          1HB       TYR  72  -7.476   3.728  -2.175
  551    HD1  TYR  72          1HD       TYR  72  -6.271   3.088  -4.130
  552    HD2  TYR  72          2HD       TYR  72  -4.572   5.846  -1.374
  553    HE1  TYR  72          1HE       TYR  72  -4.090   2.831  -5.231
  554    HE2  TYR  72          2HE       TYR  72  -2.382   5.597  -2.466
  555    HH   TYR  72           HH       TYR  72  -2.002   3.985  -5.477
  556    H    PHE  73           H        PHE  73  -7.815   7.559  -4.249
  557    HA   PHE  73           HA       PHE  73  -9.241   6.135  -6.249
  558   1HB   PHE  73          1HB       PHE  73  -8.171   8.852  -5.944
  559   2HB   PHE  73          1HB       PHE  73  -8.161   8.249  -7.598
  560    HD1  PHE  73          1HD       PHE  73 -10.460   8.442  -4.653
  561    HD2  PHE  73          2HD       PHE  73 -10.004   8.554  -8.881
  562    HE1  PHE  73          1HE       PHE  73 -12.856   8.953  -4.897
  563    HE2  PHE  73          2HE       PHE  73 -12.387   9.066  -9.136
  564    HZ   PHE  73           HZ       PHE  73 -13.825   9.267  -7.141
  565    H    HIS  74           H        HIS  74  -8.429   4.529  -7.245
  566    HA   HIS  74           HA       HIS  74  -5.677   4.842  -8.221
  567   1HB   HIS  74          1HB       HIS  74  -5.464   3.146  -6.724
  568   2HB   HIS  74          1HB       HIS  74  -7.062   2.504  -7.032
  569    HD1  HIS  74          1HD       HIS  74  -3.537   2.432  -8.238
  570    HD2  HIS  74          2HD       HIS  74  -7.168   0.641  -9.171
  571    HE1  HIS  74          1HE       HIS  74  -2.975   0.569  -9.826
  572    HE2  HIS  74          2HE       HIS  74  -5.195  -0.450 -10.444
  573    H    ARG  75           H        ARG  75  -5.250   4.744 -10.168
  574    HA   ARG  75           HA       ARG  75  -7.085   3.581 -12.139
  575   1HB   ARG  75          1HB       ARG  75  -6.815   5.658 -13.577
  576   2HB   ARG  75          1HB       ARG  75  -7.873   5.793 -12.178
  577   1HG   ARG  75          1HG       ARG  75  -5.384   6.543 -11.223
  578   2HG   ARG  75          1HG       ARG  75  -5.472   7.259 -12.832
  579   1HD   ARG  75          1HD       ARG  75  -7.333   7.651 -10.505
  580   2HD   ARG  75          1HD       ARG  75  -6.374   8.862 -11.355
  581    HE   ARG  75           HE       ARG  75  -8.982   8.002 -12.023
  582   1HH1  ARG  75          1HH1      ARG  75  -5.961   8.938 -13.502
  583   2HH1  ARG  75          2HH1      ARG  75  -6.707   9.492 -14.963
  584   1HH2  ARG  75          1HH2      ARG  75  -9.961   8.744 -13.938
  585   2HH2  ARG  75          2HH2      ARG  75  -8.976   9.386 -15.209
  586    H    SER  76           H        SER  76  -4.224   3.220 -11.062
  587    HA   SER  76           HA       SER  76  -2.693   3.578 -13.498
  588   1HB   SER  76          1HB       SER  76  -2.010   2.570 -10.737
  589   2HB   SER  76          1HB       SER  76  -0.894   2.362 -12.087
  590    HG   SER  76           HG       SER  76  -1.984   4.899 -11.554
  591    H    HIS  77           H        HIS  77  -4.299   2.229 -14.596
  592    HA   HIS  77           HA       HIS  77  -4.800  -0.444 -14.140
  593   1HB   HIS  77          1HB       HIS  77  -5.468  -0.539 -16.513
  594   2HB   HIS  77          1HB       HIS  77  -6.107   0.874 -15.682
  595    HD1  HIS  77          1HD       HIS  77  -4.361   3.092 -16.054
  596    HD2  HIS  77          2HD       HIS  77  -4.493   0.102 -18.935
  597    HE1  HIS  77          1HE       HIS  77  -3.435   4.133 -18.142
  598    HE2  HIS  77          2HE       HIS  77  -3.675   2.354 -19.908
  599    H    ASN  78           H        ASN  78  -1.735   0.632 -14.655
  600    HA   ASN  78           HA       ASN  78  -0.785  -1.174 -16.610
  601   1HB   ASN  78          1HB       ASN  78   0.316   0.939 -15.392
  602   2HB   ASN  78          1HB       ASN  78   1.033  -0.340 -14.415
  603   1HD2  ASN  78          1HD2      ASN  78   1.814   1.600 -16.754
  604   2HD2  ASN  78          2HD2      ASN  78   2.797   0.586 -17.749
  605    H    ARG  79           H        ARG  79  -1.048  -3.310 -16.426
  606    HA   ARG  79           HA       ARG  79  -1.159  -4.650 -13.909
  607   1HB   ARG  79          1HB       ARG  79  -2.363  -5.167 -16.164
  608   2HB   ARG  79          1HB       ARG  79  -0.908  -6.084 -16.524
  609   1HG   ARG  79          1HG       ARG  79  -1.275  -7.565 -14.733
  610   2HG   ARG  79          1HG       ARG  79  -2.486  -6.506 -14.014
  611   1HD   ARG  79          1HD       ARG  79  -3.149  -7.284 -16.734
  612   2HD   ARG  79          1HD       ARG  79  -2.984  -8.664 -15.652
  613    HE   ARG  79           HE       ARG  79  -4.859  -6.424 -15.278
  614   1HH1  ARG  79          1HH1      ARG  79  -3.901  -9.728 -14.630
  615   2HH1  ARG  79          2HH1      ARG  79  -5.363 -10.108 -13.785
  616   1HH2  ARG  79          1HH2      ARG  79  -6.769  -6.935 -14.161
  617   2HH2  ARG  79          2HH2      ARG  79  -6.985  -8.529 -13.518
  618    H    SER  80           H        SER  80   1.431  -3.887 -16.014
  619    HA   SER  80           HA       SER  80   3.127  -5.937 -14.734
  620   1HB   SER  80          1HB       SER  80   2.906  -5.919 -17.286
  621   2HB   SER  80          1HB       SER  80   3.814  -4.409 -17.248
  622    HG   SER  80           HG       SER  80   5.363  -5.900 -17.446
  623    H    GLU  81           H        GLU  81   2.273  -2.855 -14.242
  624    HA   GLU  81           HA       GLU  81   5.002  -1.886 -13.811
  625   1HB   GLU  81          1HB       GLU  81   2.980  -0.463 -14.724
  626   2HB   GLU  81          1HB       GLU  81   2.644  -0.245 -13.015
  627   1HG   GLU  81          1HG       GLU  81   3.953   1.596 -13.671
  628   2HG   GLU  81          1HG       GLU  81   5.026   0.531 -12.765
  629    H    GLU  82           H        GLU  82   5.985  -2.220 -11.929
  630    HA   GLU  82           HA       GLU  82   4.718  -3.344  -9.681
  631   1HB   GLU  82          1HB       GLU  82   7.420  -1.976  -9.809
  632   2HB   GLU  82          1HB       GLU  82   6.875  -3.099  -8.571
  633   1HG   GLU  82          1HG       GLU  82   6.719  -4.852 -10.306
  634   2HG   GLU  82          1HG       GLU  82   7.405  -3.721 -11.466
  635    H    PHE  83           H        PHE  83   5.007  -2.224  -7.420
  636    HA   PHE  83           HA       PHE  83   4.769   0.636  -7.519
  637   1HB   PHE  83          1HB       PHE  83   2.400  -1.092  -7.165
  638   2HB   PHE  83          1HB       PHE  83   2.545   0.268  -6.058
  639    HD1  PHE  83          1HD       PHE  83   2.297   2.511  -6.806
  640    HD2  PHE  83          2HD       PHE  83   2.205  -0.709  -9.586
  641    HE1  PHE  83          1HE       PHE  83   1.443   4.036  -8.535
  642    HE2  PHE  83          2HE       PHE  83   1.349   0.812 -11.322
  643    HZ   PHE  83           HZ       PHE  83   0.969   3.188 -10.797
  644    H    LEU  84           H        LEU  84   4.200   1.456  -5.272
  645    HA   LEU  84           HA       LEU  84   5.546  -0.201  -3.222
  646   1HB   LEU  84          1HB       LEU  84   7.035   1.637  -3.915
  647   2HB   LEU  84          1HB       LEU  84   5.786   2.804  -3.544
  648    HG   LEU  84           HG       LEU  84   7.667   2.515  -1.844
  649   1HD1  LEU  84          1HD1      LEU  84   5.206   3.445  -1.580
  650   2HD1  LEU  84          2HD1      LEU  84   6.299   3.290  -0.204
  651   3HD1  LEU  84          3HD1      LEU  84   5.068   2.060  -0.496
  652   1HD2  LEU  84          1HD2      LEU  84   7.748   0.090  -1.796
  653   2HD2  LEU  84          2HD2      LEU  84   6.081   0.024  -1.237
  654   3HD2  LEU  84          3HD2      LEU  84   7.330   0.716  -0.205
  655    H    ILE  85           H        ILE  85   4.297  -0.594  -1.496
  656    HA   ILE  85           HA       ILE  85   2.032   1.256  -1.067
  657    HB   ILE  85           HB       ILE  85   2.046  -1.750  -0.823
  658   1HG1  ILE  85          1HG1      ILE  85   0.381  -0.080  -2.695
  659   2HG1  ILE  85          1HG1      ILE  85   2.020  -0.561  -3.123
  660   1HG2  ILE  85          1HG2      ILE  85   0.110   0.325   0.059
  661   2HG2  ILE  85          2HG2      ILE  85   0.454  -1.266   0.738
  662   3HG2  ILE  85          3HG2      ILE  85  -0.550  -1.122  -0.704
  663   1HD1  ILE  85          1HD1      ILE  85  -0.402  -2.260  -2.735
  664   2HD1  ILE  85          2HD1      ILE  85   1.216  -2.947  -2.594
  665   3HD1  ILE  85          3HD1      ILE  85   0.709  -2.184  -4.101
  666    H    ALA  86           H        ALA  86   2.403   2.327   0.664
  667    HA   ALA  86           HA       ALA  86   3.322   1.040   3.178
  668   1HB   ALA  86          1HB       ALA  86   3.984   3.104   4.001
  669   2HB   ALA  86          2HB       ALA  86   2.842   3.991   2.991
  670   3HB   ALA  86          3HB       ALA  86   4.314   3.324   2.283
  671    H    GLY  87           H        GLY  87   1.684   0.237   4.202
  672   1HA   GLY  87          2HA       GLY  87  -0.787   1.748   4.614
  673   2HA   GLY  87          1HA       GLY  87  -0.906   0.121   3.965
  674    H    LYS  88           H        LYS  88  -2.225  -0.059   5.980
  675    HA   LYS  88           HA       LYS  88  -0.708  -1.183   8.180
  676   1HB   LYS  88          1HB       LYS  88  -1.171   0.977   9.064
  677   2HB   LYS  88          1HB       LYS  88  -2.739   1.044   8.304
  678   1HG   LYS  88          1HG       LYS  88  -3.759   0.195  10.093
  679   2HG   LYS  88          1HG       LYS  88  -2.555  -1.057  10.292
  680   1HD   LYS  88          1HD       LYS  88  -1.043   0.541  11.354
  681   2HD   LYS  88          1HD       LYS  88  -2.282   1.788  11.196
  682   1HE   LYS  88          1HE       LYS  88  -2.108   0.640  13.452
  683   2HE   LYS  88          1HE       LYS  88  -3.712   0.706  12.726
  684   1HZ   LYS  88          1HZ       LYS  88  -1.878  -1.632  12.764
  685   2HZ   LYS  88          2HZ       LYS  88  -3.349  -1.588  11.929
  686   3HZ   LYS  88          3HZ       LYS  88  -3.331  -1.470  13.614
  687    H    LEU  89           H        LEU  89  -2.528  -2.497   9.614
  688    HA   LEU  89           HA       LEU  89  -4.265  -3.813   7.665
  689   1HB   LEU  89          1HB       LEU  89  -2.725  -4.710  10.043
  690   2HB   LEU  89          1HB       LEU  89  -4.282  -5.470   9.791
  691    HG   LEU  89           HG       LEU  89  -1.978  -5.461   7.842
  692   1HD1  LEU  89          1HD1      LEU  89  -2.744  -8.063   8.538
  693   2HD1  LEU  89          2HD1      LEU  89  -2.672  -7.166  10.055
  694   3HD1  LEU  89          3HD1      LEU  89  -1.264  -7.223   8.996
  695   1HD2  LEU  89          1HD2      LEU  89  -3.751  -7.342   6.985
  696   2HD2  LEU  89          2HD2      LEU  89  -3.624  -5.709   6.334
  697   3HD2  LEU  89          3HD2      LEU  89  -4.831  -6.075   7.565
  698    H    GLN  90           H        GLN  90  -6.444  -4.181   8.194
  699    HA   GLN  90           HA       GLN  90  -7.455  -2.965  10.668
  700   1HB   GLN  90          1HB       GLN  90  -8.522  -2.617   7.872
  701   2HB   GLN  90          1HB       GLN  90  -9.527  -2.355   9.286
  702   1HG   GLN  90          1HG       GLN  90  -7.077  -0.917   9.587
  703   2HG   GLN  90          1HG       GLN  90  -7.797  -0.537   8.023
  704   1HE2  GLN  90          1HE2      GLN  90  -8.420   1.518   8.512
  705   2HE2  GLN  90          2HE2      GLN  90  -9.645   1.897   9.670
  706    H    ASP  91           H        ASP  91  -8.181  -4.584  11.808
  707    HA   ASP  91           HA       ASP  91  -8.959  -6.657  12.360
  708   1HB   ASP  91          1HB       ASP  91 -10.967  -5.358  10.569
  709   2HB   ASP  91          1HB       ASP  91 -11.284  -6.976  11.189
  710    H    GLY  92           H        GLY  92  -7.031  -6.864  10.154
  711   1HA   GLY  92          2HA       GLY  92  -6.396  -9.074   9.394
  712   2HA   GLY  92          1HA       GLY  92  -8.083  -9.396   9.071
  713    H    LEU  93           H        LEU  93  -7.762  -6.408   7.778
  714    HA   LEU  93           HA       LEU  93  -6.796  -7.501   5.205
  715   1HB   LEU  93          1HB       LEU  93  -9.003  -5.475   5.539
  716   2HB   LEU  93          1HB       LEU  93  -8.449  -6.182   4.037
  717    HG   LEU  93           HG       LEU  93 -10.496  -7.232   4.564
  718   1HD1  LEU  93          1HD1      LEU  93  -8.465  -9.210   5.541
  719   2HD1  LEU  93          2HD1      LEU  93  -8.544  -8.688   3.859
  720   3HD1  LEU  93          3HD1      LEU  93  -9.923  -9.503   4.595
  721   1HD2  LEU  93          1HD2      LEU  93  -9.907  -8.484   7.085
  722   2HD2  LEU  93          2HD2      LEU  93 -11.275  -7.471   6.623
  723   3HD2  LEU  93          3HD2      LEU  93  -9.790  -6.728   7.216
  724    H    LEU  94           H        LEU  94  -5.876  -6.005   3.677
  725    HA   LEU  94           HA       LEU  94  -4.288  -3.988   4.918
  726   1HB   LEU  94          1HB       LEU  94  -3.380  -5.342   3.079
  727   2HB   LEU  94          1HB       LEU  94  -4.584  -4.677   1.997
  728    HG   LEU  94           HG       LEU  94  -3.583  -2.492   2.098
  729   1HD1  LEU  94          1HD1      LEU  94  -1.197  -3.072   3.579
  730   2HD1  LEU  94          2HD1      LEU  94  -2.621  -3.296   4.586
  731   3HD1  LEU  94          3HD1      LEU  94  -2.345  -1.755   3.779
  732   1HD2  LEU  94          1HD2      LEU  94  -1.035  -3.812   1.804
  733   2HD2  LEU  94          2HD2      LEU  94  -2.048  -3.044   0.586
  734   3HD2  LEU  94          3HD2      LEU  94  -2.321  -4.729   1.019
  735    H    HIS  95           H        HIS  95  -4.220  -1.782   4.167
  736    HA   HIS  95           HA       HIS  95  -6.621  -0.750   2.918
  737   1HB   HIS  95          1HB       HIS  95  -5.894  -0.117   5.785
  738   2HB   HIS  95          1HB       HIS  95  -6.853   0.992   4.811
  739    HD1  HIS  95          1HD       HIS  95  -9.264   0.721   5.217
  740    HD2  HIS  95          2HD       HIS  95  -7.226  -2.867   5.651
  741    HE1  HIS  95          1HE       HIS  95 -11.016  -0.978   5.821
  742    HE2  HIS  95          2HE       HIS  95  -9.735  -3.113   6.204
  743    H    ILE  96           H        ILE  96  -6.457   1.345   2.169
  744    HA   ILE  96           HA       ILE  96  -3.761   2.528   2.371
  745    HB   ILE  96           HB       ILE  96  -4.754   3.153  -0.225
  746   1HG1  ILE  96          1HG1      ILE  96  -4.554   0.856  -1.233
  747   2HG1  ILE  96          1HG1      ILE  96  -4.700   0.201   0.395
  748   1HG2  ILE  96          1HG2      ILE  96  -2.528   1.372  -0.321
  749   2HG2  ILE  96          2HG2      ILE  96  -2.336   2.460   1.054
  750   3HG2  ILE  96          3HG2      ILE  96  -2.570   3.117  -0.567
  751   1HD1  ILE  96          1HD1      ILE  96  -6.786   0.299  -1.054
  752   2HD1  ILE  96          2HD1      ILE  96  -6.753   2.034  -0.764
  753   3HD1  ILE  96          3HD1      ILE  96  -6.910   0.912   0.595
  754    H    THR  97           H        THR  97  -3.647   4.744   2.262
  755    HA   THR  97           HA       THR  97  -6.180   6.191   2.041
  756    HB   THR  97           HB       THR  97  -5.864   7.398   4.065
  757    HG1  THR  97          1HG       THR  97  -3.604   7.646   3.962
  758   1HG2  THR  97          1HG2      THR  97  -5.394   5.530   5.795
  759   2HG2  THR  97          2HG2      THR  97  -5.426   4.468   4.387
  760   3HG2  THR  97          3HG2      THR  97  -6.836   5.445   4.786
  761    H    THR  98           H        THR  98  -6.037   8.173   1.150
  762    HA   THR  98           HA       THR  98  -3.855   8.781  -0.484
  763    HB   THR  98           HB       THR  98  -5.808   9.702  -1.266
  764    HG1  THR  98          1HG       THR  98  -4.532  11.821   0.111
  765   1HG2  THR  98          1HG2      THR  98  -7.567  10.549  -0.127
  766   2HG2  THR  98          2HG2      THR  98  -6.560  11.263   1.118
  767   3HG2  THR  98          3HG2      THR  98  -6.883   9.542   1.141
  768    H    CYS  99           H        CYS  99  -4.088   9.111   2.797
  769    HA   CYS  99           HA       CYS  99  -2.010  11.198   2.847
  770   1HB   CYS  99          1HB       CYS  99  -3.970  11.857   4.174
  771   2HB   CYS  99          1HB       CYS  99  -3.819  10.407   5.142
  772    H    SER 100           H        SER 100  -1.742   8.403   2.224
  773    HA   SER 100           HA       SER 100   0.157   7.628   4.327
  774   1HB   SER 100          1HB       SER 100  -2.008   6.159   3.959
  775   2HB   SER 100          1HB       SER 100  -1.115   5.562   2.562
  776    HG   SER 100           HG       SER 100  -0.204   4.294   3.966
  777    H    PHE 101           H        PHE 101   2.010   6.414   3.472
  778    HA   PHE 101           HA       PHE 101   2.920   7.625   1.049
  779   1HB   PHE 101          1HB       PHE 101   4.449   7.065   2.937
  780   2HB   PHE 101          1HB       PHE 101   4.271   5.368   2.516
  781    HD1  PHE 101          1HD       PHE 101   4.162   7.403  -0.384
  782    HD2  PHE 101          2HD       PHE 101   6.844   5.656   2.425
  783    HE1  PHE 101          1HE       PHE 101   5.995   7.631  -2.001
  784    HE2  PHE 101          2HE       PHE 101   8.681   5.884   0.805
  785    HZ   PHE 101           HZ       PHE 101   8.259   6.871  -1.408
  786    H    VAL 102           H        VAL 102   2.106   6.979  -0.876
  787    HA   VAL 102           HA       VAL 102   2.217   4.136  -1.525
  788    HB   VAL 102           HB       VAL 102  -0.343   5.589  -2.113
  789   1HG1  VAL 102          1HG1      VAL 102   0.447   2.690  -1.919
  790   2HG1  VAL 102          2HG1      VAL 102  -0.014   3.587  -3.367
  791   3HG1  VAL 102          3HG1      VAL 102  -1.214   3.249  -2.118
  792   1HG2  VAL 102          1HG2      VAL 102  -1.363   4.718  -0.124
  793   2HG2  VAL 102          2HG2      VAL 102   0.052   5.657   0.346
  794   3HG2  VAL 102          3HG2      VAL 102   0.126   3.895   0.337
  795    H    ALA 103           H        ALA 103   3.568   4.289  -3.259
  796    HA   ALA 103           HA       ALA 103   2.515   5.448  -5.672
  797   1HB   ALA 103          1HB       ALA 103   3.496   7.427  -5.627
  798   2HB   ALA 103          2HB       ALA 103   5.073   6.639  -5.582
  799   3HB   ALA 103          3HB       ALA 103   4.247   7.048  -4.079
  800    HA   PRO 104           HA       PRO 104   4.912   2.589  -7.997
  801   1HB   PRO 104          1HB       PRO 104   6.606   4.760  -9.125
  802   2HB   PRO 104          1HB       PRO 104   5.731   3.469  -9.955
  803   1HG   PRO 104          1HG       PRO 104   4.740   5.941  -9.956
  804   2HG   PRO 104          1HG       PRO 104   3.653   4.560  -9.707
  805   1HD   PRO 104          1HD       PRO 104   4.754   6.492  -7.694
  806   2HD   PRO 104          1HD       PRO 104   3.130   5.781  -7.800
  807    H    TRP 105           H        TRP 105   6.292   1.285  -7.069
  808    HA   TRP 105           HA       TRP 105   8.407   1.807  -5.395
  809   1HB   TRP 105          1HB       TRP 105   7.612  -0.462  -5.984
  810   2HB   TRP 105          1HB       TRP 105   8.296  -0.294  -7.570
  811    HD1  TRP 105           HD       TRP 105  10.641  -1.255  -7.837
  812    HE1  TRP 105          1HE       TRP 105  12.500  -2.006  -6.229
  813    HE3  TRP 105          3HE       TRP 105   8.561   0.241  -3.429
  814    HZ2  TRP 105          2HZ       TRP 105  13.002  -1.959  -3.460
  815    HZ3  TRP 105          3HZ       TRP 105   9.790  -0.155  -1.337
  816    HH2  TRP 105           HH       TRP 105  11.977  -1.235  -1.363
  817    H    ASN 106           H        ASN 106   8.210   1.372  -8.781
  818    HA   ASN 106           HA       ASN 106  10.653   1.689  -9.679
  819   1HB   ASN 106          1HB       ASN 106   8.116   2.675 -10.883
  820   2HB   ASN 106          1HB       ASN 106   9.650   2.828 -11.732
  821   1HD2  ASN 106          1HD2      ASN 106   6.995   0.980 -11.455
  822   2HD2  ASN 106          2HD2      ASN 106   7.625  -0.540 -11.981
  823    H    SER 107           H        SER 107   8.794   4.264  -8.270
  824    HA   SER 107           HA       SER 107  10.614   6.278  -9.273
  825   1HB   SER 107          1HB       SER 107   8.071   6.614  -8.973
  826   2HB   SER 107          1HB       SER 107   8.442   6.785  -7.257
  827    HG   SER 107           HG       SER 107   8.619   8.811  -7.950
  828    H    LEU 108           H        LEU 108  10.779   4.110  -6.921
  829    HA   LEU 108           HA       LEU 108  11.715   5.644  -4.722
  830   1HB   LEU 108          1HB       LEU 108  11.570   2.818  -5.472
  831   2HB   LEU 108          1HB       LEU 108  12.812   3.207  -4.311
  832    HG   LEU 108           HG       LEU 108  11.094   2.561  -2.950
  833   1HD1  LEU 108          1HD1      LEU 108  11.544   5.333  -3.036
  834   2HD1  LEU 108          2HD1      LEU 108  11.033   4.338  -1.680
  835   3HD1  LEU 108          3HD1      LEU 108   9.827   5.086  -2.723
  836   1HD2  LEU 108          1HD2      LEU 108   8.695   3.530  -3.472
  837   2HD2  LEU 108          2HD2      LEU 108   9.310   2.041  -4.190
  838   3HD2  LEU 108          3HD2      LEU 108   9.348   3.545  -5.110
  839    H    SER 109           H        SER 109  13.728   5.657  -3.856
  840    HA   SER 109           HA       SER 109  15.975   6.079  -5.653
  841   1HB   SER 109          1HB       SER 109  16.149   5.775  -2.659
  842   2HB   SER 109          1HB       SER 109  17.194   6.706  -3.729
  843    HG   SER 109           HG       SER 109  15.442   8.136  -4.064
  844    H    LEU 110           H        LEU 110  17.824   4.950  -5.620
  845    HA   LEU 110           HA       LEU 110  17.444   2.171  -5.831
  846   1HB   LEU 110          1HB       LEU 110  20.025   2.274  -5.993
  847   2HB   LEU 110          1HB       LEU 110  19.022   2.946  -7.235
  848    HG   LEU 110           HG       LEU 110  21.099   4.201  -6.264
  849   1HD1  LEU 110          1HD1      LEU 110  19.786   6.365  -6.916
  850   2HD1  LEU 110          2HD1      LEU 110  18.619   5.170  -7.481
  851   3HD1  LEU 110          3HD1      LEU 110  20.265   5.164  -8.114
  852   1HD2  LEU 110          1HD2      LEU 110  20.243   4.388  -4.006
  853   2HD2  LEU 110          2HD2      LEU 110  18.936   5.403  -4.633
  854   3HD2  LEU 110          3HD2      LEU 110  20.604   5.940  -4.752
  855    H    ALA 111           H        ALA 111  18.549   4.262  -3.369
  856    HA   ALA 111           HA       ALA 111  19.545   2.137  -1.761
  857   1HB   ALA 111          1HB       ALA 111  20.598   3.734  -0.548
  858   2HB   ALA 111          2HB       ALA 111  19.201   4.814  -0.587
  859   3HB   ALA 111          3HB       ALA 111  20.278   4.708  -1.986
  860    H    GLN 112           H        GLN 112  16.741   4.203  -2.110
  861    HA   GLN 112           HA       GLN 112  15.527   3.214   0.293
  862   1HB   GLN 112          1HB       GLN 112  15.350   5.579  -0.532
  863   2HB   GLN 112          1HB       GLN 112  14.435   4.973  -1.906
  864   1HG   GLN 112          1HG       GLN 112  12.628   4.357  -0.584
  865   2HG   GLN 112          1HG       GLN 112  13.582   4.430   0.902
  866   1HE2  GLN 112          1HE2      GLN 112  11.149   5.892  -0.521
  867   2HE2  GLN 112          2HE2      GLN 112  11.400   7.531  -0.039
  868    H    ARG 113           H        ARG 113  16.120   2.031  -2.623
  869    HA   ARG 113           HA       ARG 113  13.619   0.618  -3.043
  870   1HB   ARG 113          1HB       ARG 113  15.657   1.367  -4.792
  871   2HB   ARG 113          1HB       ARG 113  16.005  -0.325  -4.481
  872   1HG   ARG 113          1HG       ARG 113  14.589  -0.703  -6.161
  873   2HG   ARG 113          1HG       ARG 113  13.353  -0.405  -4.951
  874   1HD   ARG 113          1HD       ARG 113  12.646   1.423  -5.960
  875   2HD   ARG 113          1HD       ARG 113  14.304   2.065  -6.098
  876    HE   ARG 113           HE       ARG 113  12.770   0.941  -8.170
  877   1HH1  ARG 113          1HH1      ARG 113  16.029   0.833  -6.915
  878   2HH1  ARG 113          2HH1      ARG 113  16.728   0.375  -8.432
  879   1HH2  ARG 113          1HH2      ARG 113  13.688   0.328 -10.156
  880   2HH2  ARG 113          2HH2      ARG 113  15.400   0.089 -10.271
  881    H    ARG 114           H        ARG 114  16.955   0.321  -1.874
  882    HA   ARG 114           HA       ARG 114  16.507  -2.435  -1.151
  883   1HB   ARG 114          1HB       ARG 114  18.695  -2.560  -0.399
  884   2HB   ARG 114          1HB       ARG 114  18.810  -1.403  -1.713
  885   1HG   ARG 114          1HG       ARG 114  20.138  -0.501  -0.071
  886   2HG   ARG 114          1HG       ARG 114  18.624   0.351   0.175
  887   1HD   ARG 114          1HD       ARG 114  18.038  -1.108   2.003
  888   2HD   ARG 114          1HD       ARG 114  19.408  -2.137   1.660
  889    HE   ARG 114           HE       ARG 114  19.467   0.454   2.980
  890   1HH1  ARG 114          1HH1      ARG 114  21.245  -2.229   1.628
  891   2HH1  ARG 114          2HH1      ARG 114  22.694  -1.871   2.504
  892   1HH2  ARG 114          1HH2      ARG 114  21.374   0.927   4.129
  893   2HH2  ARG 114          2HH2      ARG 114  22.767  -0.080   3.922
  894    H    GLY 115           H        GLY 115  16.974   0.608   0.622
  895   1HA   GLY 115          2HA       GLY 115  16.717  -0.264   3.163
  896   2HA   GLY 115          1HA       GLY 115  16.091   1.288   2.637
  897    H    PHE 116           H        PHE 116  14.007   0.251   0.928
  898    HA   PHE 116           HA       PHE 116  12.201  -0.312   3.056
  899   1HB   PHE 116          1HB       PHE 116  11.881  -0.004   0.081
  900   2HB   PHE 116          1HB       PHE 116  10.575  -0.736   0.999
  901    HD1  PHE 116          1HD       PHE 116  12.799   2.256   1.286
  902    HD2  PHE 116          2HD       PHE 116   8.860   0.651   1.527
  903    HE1  PHE 116          1HE       PHE 116  11.905   4.494   1.811
  904    HE2  PHE 116          2HE       PHE 116   7.971   2.884   2.046
  905    HZ   PHE 116           HZ       PHE 116   9.498   4.808   2.190
  906    H    THR 117           H        THR 117  14.120  -2.192   1.066
  907    HA   THR 117           HA       THR 117  12.445  -4.544   1.377
  908    HB   THR 117           HB       THR 117  13.751  -3.929  -0.783
  909    HG1  THR 117          1HG       THR 117  12.698  -6.028  -0.091
  910   1HG2  THR 117          1HG2      THR 117  15.965  -4.606   0.978
  911   2HG2  THR 117          2HG2      THR 117  15.956  -3.836  -0.603
  912   3HG2  THR 117          3HG2      THR 117  15.912  -5.590  -0.483
  913    H    LYS 118           H        LYS 118  15.123  -2.993   2.835
  914    HA   LYS 118           HA       LYS 118  15.383  -5.283   4.635
  915   1HB   LYS 118          1HB       LYS 118  17.500  -5.693   4.044
  916   2HB   LYS 118          1HB       LYS 118  17.231  -4.638   2.673
  917   1HG   LYS 118          1HG       LYS 118  18.296  -2.845   3.721
  918   2HG   LYS 118          1HG       LYS 118  18.233  -3.609   5.308
  919   1HD   LYS 118          1HD       LYS 118  20.476  -3.777   4.521
  920   2HD   LYS 118          1HD       LYS 118  19.760  -5.384   4.412
  921   1HE   LYS 118          1HE       LYS 118  19.623  -3.600   2.038
  922   2HE   LYS 118          1HE       LYS 118  21.163  -4.359   2.426
  923   1HZ   LYS 118          1HZ       LYS 118  19.338  -6.381   2.610
  924   2HZ   LYS 118          2HZ       LYS 118  20.393  -6.105   1.318
  925   3HZ   LYS 118          3HZ       LYS 118  18.816  -5.497   1.265
  926    H    THR 119           H        THR 119  16.004  -1.899   4.115
  927    HA   THR 119           HA       THR 119  16.933  -1.523   6.823
  928    HB   THR 119           HB       THR 119  16.757   0.820   5.178
  929    HG1  THR 119          1HG       THR 119  18.303  -1.249   4.031
  930   1HG2  THR 119          1HG2      THR 119  18.787   1.112   6.088
  931   2HG2  THR 119          2HG2      THR 119  19.379  -0.337   5.262
  932   3HG2  THR 119          3HG2      THR 119  18.647  -0.468   6.866
  933    H    TYR 120           H        TYR 120  13.869  -0.610   5.298
  934    HA   TYR 120           HA       TYR 120  13.796   1.698   6.992
  935   1HB   TYR 120          1HB       TYR 120  12.111   0.710   4.766
  936   2HB   TYR 120          1HB       TYR 120  11.479   1.867   5.897
  937    HD1  TYR 120          1HD       TYR 120  14.854   1.534   4.396
  938    HD2  TYR 120          2HD       TYR 120  11.397   3.950   4.941
  939    HE1  TYR 120          1HE       TYR 120  15.971   3.389   3.228
  940    HE2  TYR 120          2HE       TYR 120  12.501   5.809   3.775
  941    HH   TYR 120           HH       TYR 120  14.270   6.382   2.471
  942    H    THR 121           H        THR 121  13.454  -1.149   8.170
  943    HA   THR 121           HA       THR 121  10.814  -0.860   9.346
  944    HB   THR 121           HB       THR 121  11.070  -2.931  10.235
  945    HG1  THR 121          1HG       THR 121  12.485  -2.672  11.816
  946   1HG2  THR 121          1HG2      THR 121  13.525  -3.615   8.885
  947   2HG2  THR 121          2HG2      THR 121  12.380  -2.760   7.847
  948   3HG2  THR 121          3HG2      THR 121  11.891  -4.243   8.671
  949    H    VAL 122           H        VAL 122  14.020  -1.001  10.377
  950    HA   VAL 122           HA       VAL 122  13.604   0.692  12.729
  951    HB   VAL 122           HB       VAL 122  16.252  -0.507  11.963
  952   1HG1  VAL 122          1HG1      VAL 122  15.029   0.136  14.644
  953   2HG1  VAL 122          2HG1      VAL 122  16.177   1.157  13.777
  954   3HG1  VAL 122          3HG1      VAL 122  16.671  -0.437  14.348
  955   1HG2  VAL 122          1HG2      VAL 122  15.207  -2.509  12.006
  956   2HG2  VAL 122          2HG2      VAL 122  13.827  -1.890  12.913
  957   3HG2  VAL 122          3HG2      VAL 122  15.325  -2.289  13.751
  958    H    GLY 123           H        GLY 123  14.979   0.850   9.554
  959   1HA   GLY 123          2HA       GLY 123  16.235   3.443  10.179
  960   2HA   GLY 123          1HA       GLY 123  16.642   2.430   8.802
  961    H    CYS 124           H        CYS 124  13.341   2.547   9.348
  962    HA   CYS 124           HA       CYS 124  12.457   3.444   6.977
  963   1HB   CYS 124          1HB       CYS 124  10.397   4.177   8.075
  964   2HB   CYS 124          1HB       CYS 124  10.998   2.672   8.757
  965    H    GLU 125           H        GLU 125  13.622   5.479   9.567
  966    HA   GLU 125           HA       GLU 125  12.825   7.965   8.778
  967   1HB   GLU 125          1HB       GLU 125  15.206   8.658   9.636
  968   2HB   GLU 125          1HB       GLU 125  14.012   8.008  10.754
  969   1HG   GLU 125          1HG       GLU 125  15.040   5.755  10.411
  970   2HG   GLU 125          1HG       GLU 125  16.320   6.554   9.495
  971    H    GLU 126           H        GLU 126  12.633   8.146   6.617
  972    HA   GLU 126           HA       GLU 126  14.287   7.563   4.589
  973   1HB   GLU 126          1HB       GLU 126  13.323   9.342   3.317
  974   2HB   GLU 126          1HB       GLU 126  12.101   8.738   4.419
  975   1HG   GLU 126          1HG       GLU 126  13.482  10.852   5.711
  976   2HG   GLU 126          1HG       GLU 126  13.028  11.386   4.094
  Start of MODEL    3
    1   1H    CYS   1          1HT       CYS   1  -9.775  11.782   1.867
    2   2H    CYS   1          2HT       CYS   1 -10.208  13.426   2.070
    3   3H    CYS   1          3HT       CYS   1 -10.170  12.376   3.423
    4    HA   CYS   1           HA       CYS   1  -8.267  13.884   3.250
    5   1HB   CYS   1          1HB       CYS   1  -6.936  11.321   2.905
    6   2HB   CYS   1          1HB       CYS   1  -7.056  12.331   4.328
    7    H    THR   2           H        THR   2  -7.411  15.054   1.649
    8    HA   THR   2           HA       THR   2  -6.213  13.552  -0.556
    9    HB   THR   2           HB       THR   2  -6.826  15.409  -2.103
   10    HG1  THR   2          1HG       THR   2  -8.091  16.369   0.224
   11   1HG2  THR   2          1HG2      THR   2  -8.299  13.413  -1.891
   12   2HG2  THR   2          2HG2      THR   2  -9.122  14.883  -2.416
   13   3HG2  THR   2          3HG2      THR   2  -9.280  14.330  -0.748
   14    H    CYS   3           H        CYS   3  -4.380  13.727   0.825
   15    HA   CYS   3           HA       CYS   3  -3.021  16.329   0.690
   16   1HB   CYS   3          1HB       CYS   3  -1.786  15.639   2.695
   17   2HB   CYS   3          1HB       CYS   3  -3.507  15.551   3.004
   18    H    VAL   4           H        VAL   4  -0.484  15.846   0.867
   19    HA   VAL   4           HA       VAL   4   0.052  14.008  -1.341
   20    HB   VAL   4           HB       VAL   4   2.072  15.158  -1.744
   21   1HG1  VAL   4          1HG1      VAL   4   0.690  17.605  -0.977
   22   2HG1  VAL   4          2HG1      VAL   4  -0.348  16.446  -1.808
   23   3HG1  VAL   4          3HG1      VAL   4   1.139  17.005  -2.574
   24   1HG2  VAL   4          1HG2      VAL   4   1.713  16.457   0.952
   25   2HG2  VAL   4          2HG2      VAL   4   2.946  16.911  -0.224
   26   3HG2  VAL   4          3HG2      VAL   4   2.957  15.295   0.486
   27    HA   PRO   5           HA       PRO   5   2.122  10.677   0.587
   28   1HB   PRO   5          1HB       PRO   5   4.644  11.847  -0.535
   29   2HB   PRO   5          1HB       PRO   5   4.105  10.164  -0.506
   30   1HG   PRO   5          1HG       PRO   5   3.827  11.624  -2.709
   31   2HG   PRO   5          1HG       PRO   5   2.559  10.489  -2.208
   32   1HD   PRO   5          1HD       PRO   5   2.584  13.447  -2.120
   33   2HD   PRO   5          1HD       PRO   5   1.210  12.335  -2.231
   34    HA   PRO   6           HA       PRO   6   3.796  12.753   4.285
   35   1HB   PRO   6          1HB       PRO   6   2.771  10.696   5.907
   36   2HB   PRO   6          1HB       PRO   6   2.038  12.274   5.626
   37   1HG   PRO   6          1HG       PRO   6   1.012   9.796   4.807
   38   2HG   PRO   6          1HG       PRO   6   0.461  11.391   4.272
   39   1HD   PRO   6          1HD       PRO   6   2.249   9.443   2.908
   40   2HD   PRO   6          1HD       PRO   6   1.115  10.621   2.215
   41    H    HIS   7           H        HIS   7   5.730  12.473   5.153
   42    HA   HIS   7           HA       HIS   7   7.662  10.998   4.353
   43   1HB   HIS   7          1HB       HIS   7   8.262  10.775   7.001
   44   2HB   HIS   7          1HB       HIS   7   8.502  12.223   6.036
   45    HD1  HIS   7          1HD       HIS   7   6.844  11.026   9.023
   46    HD2  HIS   7          2HD       HIS   7   6.254  14.120   6.316
   47    HE1  HIS   7          1HE       HIS   7   5.297  12.639  10.176
   48    HE2  HIS   7          2HE       HIS   7   4.937  14.495   8.510
   49    HA   PRO   8           HA       PRO   8   6.797   6.653   4.835
   50   1HB   PRO   8          1HB       PRO   8   9.176   5.771   3.991
   51   2HB   PRO   8          1HB       PRO   8   8.038   6.517   2.860
   52   1HG   PRO   8          1HG       PRO   8  10.311   7.784   4.336
   53   2HG   PRO   8          1HG       PRO   8   9.988   7.828   2.592
   54   1HD   PRO   8          1HD       PRO   8   9.257   9.865   4.178
   55   2HD   PRO   8          1HD       PRO   8   8.202   9.319   2.856
   56    H    GLN   9           H        GLN   9   8.874   8.649   6.475
   57    HA   GLN   9           HA       GLN   9  10.250   6.748   8.106
   58   1HB   GLN   9          1HB       GLN   9  11.327   8.789   8.258
   59   2HB   GLN   9          1HB       GLN   9   9.856   9.708   8.070
   60   1HG   GLN   9          1HG       GLN   9   9.761   8.400  10.592
   61   2HG   GLN   9          1HG       GLN   9  11.337   9.164  10.424
   62   1HE2  GLN   9          1HE2      GLN   9   7.985   9.639  10.904
   63   2HE2  GLN   9          2HE2      GLN   9   8.017  11.361  11.043
   64    H    THR  10           H        THR  10   7.258   8.582   8.175
   65    HA   THR  10           HA       THR  10   6.430   7.405  10.673
   66    HB   THR  10           HB       THR  10   5.762   9.720   8.982
   67    HG1  THR  10          1HG       THR  10   5.004  10.175  11.402
   68   1HG2  THR  10          1HG2      THR  10   3.459   9.535  10.555
   69   2HG2  THR  10          2HG2      THR  10   3.573   8.021   9.663
   70   3HG2  THR  10          3HG2      THR  10   3.586   9.562   8.793
   71    H    ALA  11           H        ALA  11   5.600   7.553   7.182
   72    HA   ALA  11           HA       ALA  11   3.310   5.957   7.264
   73   1HB   ALA  11          1HB       ALA  11   3.393   5.914   5.007
   74   2HB   ALA  11          2HB       ALA  11   5.152   5.814   4.955
   75   3HB   ALA  11          3HB       ALA  11   4.366   7.344   5.356
   76    H    PHE  12           H        PHE  12   6.749   5.029   6.916
   77    HA   PHE  12           HA       PHE  12   6.146   2.299   6.437
   78   1HB   PHE  12          1HB       PHE  12   8.425   3.665   6.190
   79   2HB   PHE  12          1HB       PHE  12   8.706   3.024   7.804
   80    HD1  PHE  12          1HD       PHE  12   9.400   0.819   8.103
   81    HD2  PHE  12          2HD       PHE  12   7.926   2.037   4.312
   82    HE1  PHE  12          1HE       PHE  12  10.189  -1.290   7.134
   83    HE2  PHE  12          2HE       PHE  12   8.687  -0.092   3.335
   84    HZ   PHE  12           HZ       PHE  12   9.825  -1.756   4.742
   85    H    CYS  13           H        CYS  13   7.600   3.742   9.348
   86    HA   CYS  13           HA       CYS  13   7.187   1.513  10.919
   87   1HB   CYS  13          1HB       CYS  13   7.956   4.335  11.435
   88   2HB   CYS  13          1HB       CYS  13   7.606   3.274  12.793
   89    H    ASN  14           H        ASN  14   4.746   4.001  10.211
   90    HA   ASN  14           HA       ASN  14   3.444   3.365  12.702
   91   1HB   ASN  14          1HB       ASN  14   3.455   5.599  11.017
   92   2HB   ASN  14          1HB       ASN  14   1.888   4.854  10.740
   93   1HD2  ASN  14          1HD2      ASN  14   3.173   7.244  12.316
   94   2HD2  ASN  14          2HD2      ASN  14   2.274   7.227  13.790
   95    H    SER  15           H        SER  15   3.215   2.764   9.177
   96    HA   SER  15           HA       SER  15   0.791   1.381   9.321
   97   1HB   SER  15          1HB       SER  15   2.405   2.392   7.315
   98   2HB   SER  15          1HB       SER  15   2.397   0.661   7.059
   99    HG   SER  15           HG       SER  15   0.583   2.264   6.266
  100    H    ASP  16           H        ASP  16   0.442  -0.557   9.238
  101    HA   ASP  16           HA       ASP  16   2.379  -2.487  10.151
  102   1HB   ASP  16          1HB       ASP  16  -0.484  -2.063  10.482
  103   2HB   ASP  16          1HB       ASP  16   0.034  -3.746  10.476
  104    H    LEU  17           H        LEU  17   1.845  -1.711   7.328
  105    HA   LEU  17           HA       LEU  17   2.353  -4.255   6.278
  106   1HB   LEU  17          1HB       LEU  17  -0.427  -3.424   6.101
  107   2HB   LEU  17          1HB       LEU  17   0.279  -3.764   4.532
  108    HG   LEU  17           HG       LEU  17   0.084  -5.625   6.890
  109   1HD1  LEU  17          1HD1      LEU  17  -1.485  -6.812   5.638
  110   2HD1  LEU  17          2HD1      LEU  17  -0.987  -6.062   4.121
  111   3HD1  LEU  17          3HD1      LEU  17  -1.898  -5.130   5.308
  112   1HD2  LEU  17          1HD2      LEU  17   2.143  -5.602   5.046
  113   2HD2  LEU  17          2HD2      LEU  17   1.015  -6.779   4.388
  114   3HD2  LEU  17          3HD2      LEU  17   1.635  -6.976   6.025
  115    H    VAL  18           H        VAL  18   3.917  -3.827   4.927
  116    HA   VAL  18           HA       VAL  18   3.612  -1.583   3.069
  117    HB   VAL  18           HB       VAL  18   6.271  -2.212   4.336
  118   1HG1  VAL  18          1HG1      VAL  18   6.462   0.339   3.666
  119   2HG1  VAL  18          2HG1      VAL  18   5.180  -0.110   2.542
  120   3HG1  VAL  18          3HG1      VAL  18   6.729  -0.950   2.493
  121   1HG2  VAL  18          1HG2      VAL  18   4.128  -1.137   5.764
  122   2HG2  VAL  18          2HG2      VAL  18   5.118   0.250   5.318
  123   3HG2  VAL  18          3HG2      VAL  18   5.831  -1.092   6.211
  124    H    ILE  19           H        ILE  19   3.807  -2.385   1.041
  125    HA   ILE  19           HA       ILE  19   5.784  -4.438   0.493
  126    HB   ILE  19           HB       ILE  19   4.174  -6.003  -0.413
  127   1HG1  ILE  19          1HG1      ILE  19   1.696  -5.071   0.595
  128   2HG1  ILE  19          1HG1      ILE  19   2.422  -3.731  -0.282
  129   1HG2  ILE  19          1HG2      ILE  19   4.670  -5.790   2.166
  130   2HG2  ILE  19          2HG2      ILE  19   3.504  -6.951   1.547
  131   3HG2  ILE  19          3HG2      ILE  19   2.949  -5.424   2.231
  132   1HD1  ILE  19          1HD1      ILE  19   2.806  -5.517  -2.133
  133   2HD1  ILE  19          2HD1      ILE  19   1.221  -4.772  -1.926
  134   3HD1  ILE  19          3HD1      ILE  19   1.528  -6.384  -1.281
  135    H    ARG  20           H        ARG  20   6.013  -4.888  -1.692
  136    HA   ARG  20           HA       ARG  20   5.120  -2.731  -3.437
  137   1HB   ARG  20          1HB       ARG  20   7.003  -2.980  -4.746
  138   2HB   ARG  20          1HB       ARG  20   7.622  -3.394  -3.158
  139   1HG   ARG  20          1HG       ARG  20   8.363  -5.290  -3.960
  140   2HG   ARG  20          1HG       ARG  20   6.714  -5.776  -4.339
  141   1HD   ARG  20          1HD       ARG  20   6.893  -5.157  -6.541
  142   2HD   ARG  20          1HD       ARG  20   8.088  -3.909  -6.199
  143    HE   ARG  20           HE       ARG  20   8.591  -6.686  -6.790
  144   1HH1  ARG  20          1HH1      ARG  20   9.891  -3.773  -5.379
  145   2HH1  ARG  20          2HH1      ARG  20  11.538  -4.237  -5.643
  146   1HH2  ARG  20          1HH2      ARG  20  10.746  -7.288  -7.150
  147   2HH2  ARG  20          2HH2      ARG  20  12.024  -6.234  -6.648
  148    H    ALA  21           H        ALA  21   3.871  -3.028  -4.994
  149    HA   ALA  21           HA       ALA  21   3.093  -5.699  -5.976
  150   1HB   ALA  21          1HB       ALA  21   1.215  -3.941  -4.448
  151   2HB   ALA  21          2HB       ALA  21   1.650  -5.620  -4.150
  152   3HB   ALA  21          3HB       ALA  21   0.645  -5.205  -5.536
  153    H    LYS  22           H        LYS  22   1.215  -5.667  -7.361
  154    HA   LYS  22           HA       LYS  22   1.139  -3.440  -9.291
  155   1HB   LYS  22          1HB       LYS  22   1.644  -6.318  -9.696
  156   2HB   LYS  22          1HB       LYS  22   0.509  -5.604 -10.822
  157   1HG   LYS  22          1HG       LYS  22   2.192  -4.013 -11.503
  158   2HG   LYS  22          1HG       LYS  22   3.310  -4.633 -10.287
  159   1HD   LYS  22          1HD       LYS  22   2.204  -6.651 -12.111
  160   2HD   LYS  22          1HD       LYS  22   3.224  -5.440 -12.876
  161   1HE   LYS  22          1HE       LYS  22   4.928  -6.742 -12.263
  162   2HE   LYS  22          1HE       LYS  22   4.671  -6.068 -10.653
  163   1HZ   LYS  22          1HZ       LYS  22   4.724  -8.410 -10.444
  164   2HZ   LYS  22          2HZ       LYS  22   3.634  -8.632 -11.718
  165   3HZ   LYS  22          3HZ       LYS  22   3.106  -7.950 -10.263
  166    H    PHE  23           H        PHE  23  -0.955  -3.029 -10.194
  167    HA   PHE  23           HA       PHE  23  -3.168  -4.232  -8.656
  168   1HB   PHE  23          1HB       PHE  23  -2.990  -1.737 -10.348
  169   2HB   PHE  23          1HB       PHE  23  -4.527  -2.381  -9.774
  170    HD1  PHE  23          1HD       PHE  23  -5.347  -1.662  -7.745
  171    HD2  PHE  23          2HD       PHE  23  -1.172  -1.398  -8.519
  172    HE1  PHE  23          1HE       PHE  23  -5.021  -0.522  -5.588
  173    HE2  PHE  23          2HE       PHE  23  -0.839  -0.256  -6.370
  174    HZ   PHE  23           HZ       PHE  23  -2.761   0.170  -4.906
  175    H    VAL  24           H        VAL  24  -4.301  -5.705  -9.350
  176    HA   VAL  24           HA       VAL  24  -4.648  -6.084 -12.225
  177    HB   VAL  24           HB       VAL  24  -4.446  -8.508 -11.728
  178   1HG1  VAL  24          1HG1      VAL  24  -2.633  -7.638 -12.848
  179   2HG1  VAL  24          2HG1      VAL  24  -1.907  -8.386 -11.431
  180   3HG1  VAL  24          3HG1      VAL  24  -2.163  -6.642 -11.472
  181   1HG2  VAL  24          1HG2      VAL  24  -4.349  -7.620  -9.068
  182   2HG2  VAL  24          2HG2      VAL  24  -2.816  -8.402  -9.454
  183   3HG2  VAL  24          3HG2      VAL  24  -4.326  -9.274  -9.679
  184    H    GLY  25           H        GLY  25  -6.568  -4.855 -10.557
  185   1HA   GLY  25          2HA       GLY  25  -8.857  -6.402 -11.160
  186   2HA   GLY  25          1HA       GLY  25  -8.553  -6.475  -9.437
  187    H    THR  26           H        THR  26 -10.901  -5.352 -10.348
  188    HA   THR  26           HA       THR  26 -10.547  -2.458 -10.319
  189    HB   THR  26           HB       THR  26 -11.991  -3.570 -12.009
  190    HG1  THR  26          1HG       THR  26 -12.494  -1.474 -11.619
  191   1HG2  THR  26          1HG2      THR  26 -14.344  -4.125 -11.133
  192   2HG2  THR  26          2HG2      THR  26 -13.531  -4.404  -9.593
  193   3HG2  THR  26          3HG2      THR  26 -13.075  -5.345 -11.014
  194    HA   PRO  27           HA       PRO  27 -11.900  -2.032  -6.148
  195   1HB   PRO  27          1HB       PRO  27 -12.537   0.553  -6.084
  196   2HB   PRO  27          1HB       PRO  27 -10.882   0.005  -6.366
  197   1HG   PRO  27          1HG       PRO  27 -12.901   1.024  -8.309
  198   2HG   PRO  27          1HG       PRO  27 -11.151   1.284  -8.273
  199   1HD   PRO  27          1HD       PRO  27 -12.487  -0.569  -9.869
  200   2HD   PRO  27          1HD       PRO  27 -10.757  -0.585  -9.506
  201    H    GLU  28           H        GLU  28 -13.570  -2.574  -4.987
  202    HA   GLU  28           HA       GLU  28 -16.267  -2.099  -6.057
  203   1HB   GLU  28          1HB       GLU  28 -15.071  -4.217  -4.549
  204   2HB   GLU  28          1HB       GLU  28 -16.399  -3.541  -3.614
  205   1HG   GLU  28          1HG       GLU  28 -17.730  -3.738  -5.823
  206   2HG   GLU  28          1HG       GLU  28 -16.453  -4.861  -6.289
  207    H    VAL  29           H        VAL  29 -17.162  -0.197  -5.486
  208    HA   VAL  29           HA       VAL  29 -16.563   0.794  -2.779
  209    HB   VAL  29           HB       VAL  29 -17.566   2.499  -4.952
  210   1HG1  VAL  29          1HG1      VAL  29 -17.566   3.204  -2.507
  211   2HG1  VAL  29          2HG1      VAL  29 -16.872   4.318  -3.683
  212   3HG1  VAL  29          3HG1      VAL  29 -15.821   3.327  -2.685
  213   1HG2  VAL  29          1HG2      VAL  29 -14.931   1.307  -4.692
  214   2HG2  VAL  29          2HG2      VAL  29 -14.894   3.066  -4.821
  215   3HG2  VAL  29          3HG2      VAL  29 -15.673   2.105  -6.079
  216    H    ASN  30           H        ASN  30 -18.278   0.437  -1.388
  217    HA   ASN  30           HA       ASN  30 -20.932   0.790  -2.494
  218   1HB   ASN  30          1HB       ASN  30 -20.174  -1.028  -0.819
  219   2HB   ASN  30          1HB       ASN  30 -20.472   0.217   0.389
  220   1HD2  ASN  30          1HD2      ASN  30 -22.210  -0.809   1.312
  221   2HD2  ASN  30          2HD2      ASN  30 -23.727  -1.003   0.509
  222    H    GLN  31           H        GLN  31 -22.497   1.787  -1.102
  223    HA   GLN  31           HA       GLN  31 -21.676   4.553  -0.531
  224   1HB   GLN  31          1HB       GLN  31 -24.489   3.420  -0.642
  225   2HB   GLN  31          1HB       GLN  31 -24.054   5.115  -0.456
  226   1HG   GLN  31          1HG       GLN  31 -23.539   3.388  -2.854
  227   2HG   GLN  31          1HG       GLN  31 -24.746   4.666  -2.717
  228   1HE2  GLN  31          1HE2      GLN  31 -21.402   3.922  -3.194
  229   2HE2  GLN  31          2HE2      GLN  31 -20.873   5.528  -3.549
  230    H    THR  32           H        THR  32 -22.041   1.571   0.806
  231    HA   THR  32           HA       THR  32 -22.551   2.584   3.505
  232    HB   THR  32           HB       THR  32 -23.896   0.629   1.814
  233    HG1  THR  32          1HG       THR  32 -24.646   2.603   3.153
  234   1HG2  THR  32          1HG2      THR  32 -22.698  -0.883   3.437
  235   2HG2  THR  32          2HG2      THR  32 -24.458  -1.026   3.351
  236   3HG2  THR  32          3HG2      THR  32 -23.710  -0.162   4.695
  237    H    THR  33           H        THR  33 -20.107   1.282   1.747
  238    HA   THR  33           HA       THR  33 -19.395  -0.890   3.481
  239    HB   THR  33           HB       THR  33 -17.217  -0.635   2.304
  240    HG1  THR  33          1HG       THR  33 -17.042   1.402   1.667
  241   1HG2  THR  33          1HG2      THR  33 -18.054  -2.061   0.864
  242   2HG2  THR  33          2HG2      THR  33 -18.479  -0.670  -0.136
  243   3HG2  THR  33          3HG2      THR  33 -19.657  -1.344   1.007
  244    H    LEU  34           H        LEU  34 -18.403   2.380   2.749
  245    HA   LEU  34           HA       LEU  34 -17.518   4.020   4.093
  246   1HB   LEU  34          1HB       LEU  34 -17.545   1.843   6.134
  247   2HB   LEU  34          1HB       LEU  34 -16.363   3.124   6.317
  248    HG   LEU  34           HG       LEU  34 -19.113   3.129   6.995
  249   1HD1  LEU  34          1HD1      LEU  34 -18.009   4.257   8.571
  250   2HD1  LEU  34          2HD1      LEU  34 -18.159   5.650   7.500
  251   3HD1  LEU  34          3HD1      LEU  34 -16.693   4.668   7.471
  252   1HD2  LEU  34          1HD2      LEU  34 -19.696   3.937   4.839
  253   2HD2  LEU  34          2HD2      LEU  34 -18.340   5.072   4.817
  254   3HD2  LEU  34          3HD2      LEU  34 -19.702   5.339   5.914
  255    H    TYR  35           H        TYR  35 -16.397   0.970   3.290
  256    HA   TYR  35           HA       TYR  35 -13.843   2.055   2.410
  257   1HB   TYR  35          1HB       TYR  35 -12.846  -0.271   3.081
  258   2HB   TYR  35          1HB       TYR  35 -12.893   1.060   4.227
  259    HD1  TYR  35          1HD       TYR  35 -13.758  -2.302   3.639
  260    HD2  TYR  35          2HD       TYR  35 -14.923   1.181   5.762
  261    HE1  TYR  35          1HE       TYR  35 -15.023  -3.699   5.229
  262    HE2  TYR  35          2HE       TYR  35 -16.175  -0.173   7.346
  263    HH   TYR  35           HH       TYR  35 -17.209  -3.092   6.884
  264    H    GLN  36           H        GLN  36 -12.686   0.695   0.921
  265    HA   GLN  36           HA       GLN  36 -14.580  -0.785  -0.778
  266   1HB   GLN  36          1HB       GLN  36 -12.348   1.081  -1.509
  267   2HB   GLN  36          1HB       GLN  36 -13.263   0.125  -2.670
  268   1HG   GLN  36          1HG       GLN  36 -14.936   1.570  -2.674
  269   2HG   GLN  36          1HG       GLN  36 -14.925   1.707  -0.916
  270   1HE2  GLN  36          1HE2      GLN  36 -13.319   3.134   0.035
  271   2HE2  GLN  36          2HE2      GLN  36 -12.802   4.527  -0.845
  272    H    ARG  37           H        ARG  37 -13.005  -1.745  -2.670
  273    HA   ARG  37           HA       ARG  37 -10.717  -3.048  -1.454
  274   1HB   ARG  37          1HB       ARG  37 -13.118  -4.353  -1.414
  275   2HB   ARG  37          1HB       ARG  37 -12.405  -4.951  -2.910
  276   1HG   ARG  37          1HG       ARG  37 -10.376  -5.555  -1.660
  277   2HG   ARG  37          1HG       ARG  37 -11.171  -5.040  -0.173
  278   1HD   ARG  37          1HD       ARG  37 -11.656  -7.265  -0.087
  279   2HD   ARG  37          1HD       ARG  37 -13.034  -6.719  -1.033
  280    HE   ARG  37           HE       ARG  37 -10.634  -8.040  -2.116
  281   1HH1  ARG  37          1HH1      ARG  37 -13.998  -7.124  -2.405
  282   2HH1  ARG  37          2HH1      ARG  37 -14.258  -8.077  -3.824
  283   1HH2  ARG  37          1HH2      ARG  37 -10.987  -9.290  -3.980
  284   2HH2  ARG  37          2HH2      ARG  37 -12.552  -9.304  -4.719
  285    H    TYR  38           H        TYR  38  -9.144  -3.340  -2.770
  286    HA   TYR  38           HA       TYR  38  -9.561  -3.136  -5.705
  287   1HB   TYR  38          1HB       TYR  38  -7.607  -1.758  -3.942
  288   2HB   TYR  38          1HB       TYR  38  -6.914  -2.456  -5.395
  289    HD1  TYR  38          1HD       TYR  38  -8.700  -1.857  -7.521
  290    HD2  TYR  38          2HD       TYR  38  -7.827   0.545  -4.110
  291    HE1  TYR  38          1HE       TYR  38  -9.277   0.171  -8.780
  292    HE2  TYR  38          2HE       TYR  38  -8.422   2.554  -5.351
  293    HH   TYR  38           HH       TYR  38  -8.414   3.101  -8.072
  294    H    GLU  39           H        GLU  39  -8.355  -4.711  -6.947
  295    HA   GLU  39           HA       GLU  39  -7.133  -6.830  -5.325
  296   1HB   GLU  39          1HB       GLU  39  -7.935  -6.943  -8.234
  297   2HB   GLU  39          1HB       GLU  39  -7.463  -8.292  -7.228
  298   1HG   GLU  39          1HG       GLU  39  -9.775  -8.467  -7.385
  299   2HG   GLU  39          1HG       GLU  39  -9.502  -7.734  -5.809
  300    H    ILE  40           H        ILE  40  -4.959  -7.324  -5.587
  301    HA   ILE  40           HA       ILE  40  -3.605  -5.865  -7.745
  302    HB   ILE  40           HB       ILE  40  -1.831  -5.287  -5.947
  303   1HG1  ILE  40          1HG1      ILE  40  -4.102  -5.117  -4.042
  304   2HG1  ILE  40          1HG1      ILE  40  -3.383  -6.706  -4.290
  305   1HG2  ILE  40          1HG2      ILE  40  -2.652  -3.343  -6.687
  306   2HG2  ILE  40          2HG2      ILE  40  -3.632  -3.355  -5.222
  307   3HG2  ILE  40          3HG2      ILE  40  -4.304  -3.954  -6.737
  308   1HD1  ILE  40          1HD1      ILE  40  -1.174  -5.728  -3.734
  309   2HD1  ILE  40          2HD1      ILE  40  -2.338  -5.667  -2.411
  310   3HD1  ILE  40          3HD1      ILE  40  -1.990  -4.213  -3.347
  311    H    LYS  41           H        LYS  41  -1.935  -6.804  -8.602
  312    HA   LYS  41           HA       LYS  41  -1.156  -9.435  -7.875
  313   1HB   LYS  41          1HB       LYS  41  -0.966  -8.044 -10.174
  314   2HB   LYS  41          1HB       LYS  41   0.670  -7.855  -9.590
  315   1HG   LYS  41          1HG       LYS  41  -0.577 -10.567  -9.712
  316   2HG   LYS  41          1HG       LYS  41   0.121  -9.826 -11.154
  317   1HD   LYS  41          1HD       LYS  41   2.266  -9.617 -10.059
  318   2HD   LYS  41          1HD       LYS  41   1.589 -10.214  -8.544
  319   1HE   LYS  41          1HE       LYS  41   1.217 -12.382  -9.497
  320   2HE   LYS  41          1HE       LYS  41   1.652 -11.804 -11.103
  321   1HZ   LYS  41          1HZ       LYS  41   3.349 -12.654  -8.937
  322   2HZ   LYS  41          2HZ       LYS  41   3.841 -11.198  -9.644
  323   3HZ   LYS  41          3HZ       LYS  41   3.667 -12.585 -10.597
  324    H    MET  42           H        MET  42  -0.516  -9.102  -5.666
  325    HA   MET  42           HA       MET  42   1.395  -7.286  -4.783
  326   1HB   MET  42          1HB       MET  42  -0.044  -8.573  -3.263
  327   2HB   MET  42          1HB       MET  42   0.806 -10.045  -3.705
  328   1HG   MET  42          1HG       MET  42   2.433  -7.808  -2.657
  329   2HG   MET  42          1HG       MET  42   1.377  -8.643  -1.519
  330   1HE   MET  42          1HE       MET  42   2.571 -12.295  -1.725
  331   2HE   MET  42          2HE       MET  42   1.860 -11.817  -3.266
  332   3HE   MET  42          3HE       MET  42   1.148 -11.254  -1.754
  333    H    THR  43           H        THR  43   3.605  -7.181  -4.958
  334    HA   THR  43           HA       THR  43   4.783  -9.310  -6.495
  335    HB   THR  43           HB       THR  43   6.369  -6.948  -5.623
  336    HG1  THR  43          1HG       THR  43   5.425  -6.004  -7.671
  337   1HG2  THR  43          1HG2      THR  43   6.251  -8.697  -8.049
  338   2HG2  THR  43          2HG2      THR  43   7.606  -8.406  -6.958
  339   3HG2  THR  43          3HG2      THR  43   7.074  -7.138  -8.062
  340    H    LYS  44           H        LYS  44   5.834  -7.443  -3.612
  341    HA   LYS  44           HA       LYS  44   6.483  -9.826  -2.165
  342   1HB   LYS  44          1HB       LYS  44   8.688  -7.870  -2.866
  343   2HB   LYS  44          1HB       LYS  44   8.836  -9.250  -1.787
  344   1HG   LYS  44          1HG       LYS  44   8.375 -10.753  -3.676
  345   2HG   LYS  44          1HG       LYS  44   8.296  -9.353  -4.747
  346   1HD   LYS  44          1HD       LYS  44  10.697  -9.023  -3.414
  347   2HD   LYS  44          1HD       LYS  44  10.610 -10.764  -3.691
  348   1HE   LYS  44          1HE       LYS  44   9.901 -10.024  -6.105
  349   2HE   LYS  44          1HE       LYS  44  10.715  -8.526  -5.657
  350   1HZ   LYS  44          1HZ       LYS  44  11.857 -10.941  -6.509
  351   2HZ   LYS  44          2HZ       LYS  44  12.370 -10.652  -4.923
  352   3HZ   LYS  44          3HZ       LYS  44  12.636  -9.489  -6.122
  353    H    MET  45           H        MET  45   6.593  -9.375   0.049
  354    HA   MET  45           HA       MET  45   5.546  -6.794   0.840
  355   1HB   MET  45          1HB       MET  45   5.213  -7.871   3.069
  356   2HB   MET  45          1HB       MET  45   4.406  -8.725   1.754
  357   1HG   MET  45          1HG       MET  45   7.148  -9.551   2.584
  358   2HG   MET  45          1HG       MET  45   5.759 -10.033   3.555
  359   1HE   MET  45          1HE       MET  45   7.385 -12.296   0.141
  360   2HE   MET  45          2HE       MET  45   8.094 -11.602   1.592
  361   3HE   MET  45          3HE       MET  45   7.750 -10.575   0.208
  362    H    TYR  46           H        TYR  46   6.568  -5.329   2.203
  363    HA   TYR  46           HA       TYR  46   9.362  -5.936   2.910
  364   1HB   TYR  46          1HB       TYR  46   8.057  -3.332   2.114
  365   2HB   TYR  46          1HB       TYR  46   9.673  -3.435   2.801
  366    HD1  TYR  46          1HD       TYR  46  11.247  -2.983   1.201
  367    HD2  TYR  46          2HD       TYR  46   7.897  -5.371   0.124
  368    HE1  TYR  46          1HE       TYR  46  12.192  -3.281  -1.047
  369    HE2  TYR  46          2HE       TYR  46   8.834  -5.679  -2.126
  370    HH   TYR  46           HH       TYR  46  11.638  -3.906  -3.213
  371    H    LYS  47           H        LYS  47   6.586  -6.013   4.443
  372    HA   LYS  47           HA       LYS  47   7.479  -5.701   6.969
  373   1HB   LYS  47          1HB       LYS  47   7.459  -3.147   5.983
  374   2HB   LYS  47          1HB       LYS  47   5.903  -3.238   6.803
  375   1HG   LYS  47          1HG       LYS  47   7.041  -4.019   8.837
  376   2HG   LYS  47          1HG       LYS  47   8.593  -3.847   8.016
  377   1HD   LYS  47          1HD       LYS  47   8.599  -1.794   8.916
  378   2HD   LYS  47          1HD       LYS  47   7.481  -1.394   7.609
  379   1HE   LYS  47          1HE       LYS  47   5.710  -1.247   8.997
  380   2HE   LYS  47          1HE       LYS  47   6.251  -2.597   9.995
  381   1HZ   LYS  47          1HZ       LYS  47   7.456  -1.242  11.339
  382   2HZ   LYS  47          2HZ       LYS  47   6.255  -0.142  10.883
  383   3HZ   LYS  47          3HZ       LYS  47   7.769  -0.102  10.127
  384    H    GLY  48           H        GLY  48   6.064  -6.824   8.137
  385   1HA   GLY  48          2HA       GLY  48   3.646  -6.618   9.012
  386   2HA   GLY  48          1HA       GLY  48   3.236  -6.861   7.318
  387    H    PHE  49           H        PHE  49   5.984  -8.598   7.815
  388    HA   PHE  49           HA       PHE  49   4.835 -11.051   7.445
  389   1HB   PHE  49          1HB       PHE  49   7.447 -10.257   8.644
  390   2HB   PHE  49          1HB       PHE  49   6.947 -11.944   8.612
  391    HD1  PHE  49          1HD       PHE  49   8.062  -9.108   6.611
  392    HD2  PHE  49          2HD       PHE  49   6.701 -13.139   6.521
  393    HE1  PHE  49          1HE       PHE  49   8.872  -9.327   4.297
  394    HE2  PHE  49          2HE       PHE  49   7.509 -13.365   4.209
  395    HZ   PHE  49           HZ       PHE  49   8.600 -11.457   3.101
  396    H    GLN  50           H        GLN  50   5.491  -9.470  10.646
  397    HA   GLN  50           HA       GLN  50   4.875 -11.707  12.165
  398   1HB   GLN  50          1HB       GLN  50   4.639 -10.201  14.016
  399   2HB   GLN  50          1HB       GLN  50   5.952  -9.626  13.003
  400   1HG   GLN  50          1HG       GLN  50   4.995  -7.647  12.867
  401   2HG   GLN  50          1HG       GLN  50   3.570  -8.370  12.123
  402   1HE2  GLN  50          1HE2      GLN  50   4.943  -8.604  15.380
  403   2HE2  GLN  50          2HE2      GLN  50   3.524  -8.069  16.207
  404    H    ALA  51           H        ALA  51   2.864  -9.329  10.603
  405    HA   ALA  51           HA       ALA  51   0.404 -10.285  11.762
  406   1HB   ALA  51          1HB       ALA  51   0.986  -7.953  10.653
  407   2HB   ALA  51          2HB       ALA  51  -0.630  -8.643  10.512
  408   3HB   ALA  51          3HB       ALA  51   0.521  -8.809   9.182
  409    H    LEU  52           H        LEU  52   2.111 -10.376   8.668
  410    HA   LEU  52           HA       LEU  52   0.323 -12.187   7.524
  411   1HB   LEU  52          1HB       LEU  52   3.087 -11.596   6.547
  412   2HB   LEU  52          1HB       LEU  52   1.709 -12.141   5.609
  413    HG   LEU  52           HG       LEU  52   1.815  -9.480   7.020
  414   1HD1  LEU  52          1HD1      LEU  52   2.050  -8.706   4.553
  415   2HD1  LEU  52          2HD1      LEU  52   2.752 -10.307   4.321
  416   3HD1  LEU  52          3HD1      LEU  52   3.476  -9.184   5.473
  417   1HD2  LEU  52          1HD2      LEU  52   0.085 -10.077   4.687
  418   2HD2  LEU  52          2HD2      LEU  52  -0.173  -8.972   6.034
  419   3HD2  LEU  52          3HD2      LEU  52  -0.385 -10.706   6.266
  420    H    GLY  53           H        GLY  53   3.674 -13.034   7.334
  421   1HA   GLY  53          2HA       GLY  53   4.678 -14.917   8.503
  422   2HA   GLY  53          1HA       GLY  53   3.054 -15.596   8.662
  423    H    ASP  54           H        ASP  54   2.026 -15.177   6.244
  424    HA   ASP  54           HA       ASP  54   3.596 -16.904   4.481
  425   1HB   ASP  54          1HB       ASP  54   1.196 -17.548   5.230
  426   2HB   ASP  54          1HB       ASP  54   0.663 -16.259   4.155
  427    H    ALA  55           H        ALA  55   4.742 -15.685   3.208
  428    HA   ALA  55           HA       ALA  55   4.655 -13.063   2.642
  429   1HB   ALA  55          1HB       ALA  55   6.434 -14.655   2.012
  430   2HB   ALA  55          2HB       ALA  55   6.045 -13.503   0.739
  431   3HB   ALA  55          3HB       ALA  55   5.453 -15.155   0.637
  432    H    ALA  56           H        ALA  56   2.089 -15.004   1.737
  433    HA   ALA  56           HA       ALA  56   1.389 -13.173  -0.472
  434   1HB   ALA  56          1HB       ALA  56   0.408 -14.864  -1.674
  435   2HB   ALA  56          2HB       ALA  56   0.125 -15.860  -0.247
  436   3HB   ALA  56          3HB       ALA  56   1.750 -15.720  -0.915
  437    H    ASP  57           H        ASP  57   0.847 -12.782   2.388
  438    HA   ASP  57           HA       ASP  57  -2.031 -13.208   2.525
  439   1HB   ASP  57          1HB       ASP  57  -0.289 -13.588   4.440
  440   2HB   ASP  57          1HB       ASP  57  -0.471 -11.861   4.688
  441    H    ILE  58           H        ILE  58  -0.747 -11.152   0.703
  442    HA   ILE  58           HA       ILE  58  -2.487  -8.928   1.537
  443    HB   ILE  58           HB       ILE  58   0.178  -8.308   0.316
  444   1HG1  ILE  58          1HG1      ILE  58   0.258  -7.728   3.105
  445   2HG1  ILE  58          1HG1      ILE  58  -0.121  -9.431   2.902
  446   1HG2  ILE  58          1HG2      ILE  58  -1.286  -6.547   2.211
  447   2HG2  ILE  58          2HG2      ILE  58  -1.899  -6.742   0.566
  448   3HG2  ILE  58          3HG2      ILE  58  -0.264  -6.132   0.835
  449   1HD1  ILE  58          1HD1      ILE  58   2.022  -9.823   2.573
  450   2HD1  ILE  58          2HD1      ILE  58   2.379  -8.096   2.606
  451   3HD1  ILE  58          3HD1      ILE  58   1.936  -8.876   1.088
  452    H    ARG  59           H        ARG  59  -3.838  -9.930  -0.283
  453    HA   ARG  59           HA       ARG  59  -2.641  -9.289  -2.870
  454   1HB   ARG  59          1HB       ARG  59  -4.965 -11.124  -2.367
  455   2HB   ARG  59          1HB       ARG  59  -3.948 -11.023  -3.799
  456   1HG   ARG  59          1HG       ARG  59  -2.047 -11.844  -2.484
  457   2HG   ARG  59          1HG       ARG  59  -3.101 -11.993  -1.078
  458   1HD   ARG  59          1HD       ARG  59  -4.372 -13.315  -3.225
  459   2HD   ARG  59          1HD       ARG  59  -2.688 -13.829  -3.219
  460    HE   ARG  59           HE       ARG  59  -4.435 -14.012  -0.851
  461   1HH1  ARG  59          1HH1      ARG  59  -1.999 -15.373  -2.962
  462   2HH1  ARG  59          2HH1      ARG  59  -1.809 -16.806  -2.012
  463   1HH2  ARG  59          1HH2      ARG  59  -4.177 -15.899   0.388
  464   2HH2  ARG  59          2HH2      ARG  59  -3.041 -17.105  -0.116
  465    H    PHE  60           H        PHE  60  -4.975  -8.141  -0.789
  466    HA   PHE  60           HA       PHE  60  -6.109  -6.426  -2.812
  467   1HB   PHE  60          1HB       PHE  60  -7.800  -7.825  -0.730
  468   2HB   PHE  60          1HB       PHE  60  -8.362  -6.800  -2.045
  469    HD1  PHE  60          1HD       PHE  60  -7.219 -10.135  -1.103
  470    HD2  PHE  60          2HD       PHE  60  -8.463  -7.633  -4.304
  471    HE1  PHE  60          1HE       PHE  60  -7.552 -12.121  -2.519
  472    HE2  PHE  60          2HE       PHE  60  -8.795  -9.608  -5.730
  473    HZ   PHE  60           HZ       PHE  60  -8.342 -11.859  -4.838
  474    H    VAL  61           H        VAL  61  -6.649  -4.524  -2.141
  475    HA   VAL  61           HA       VAL  61  -5.605  -3.779   0.492
  476    HB   VAL  61           HB       VAL  61  -4.778  -1.886  -0.457
  477   1HG1  VAL  61          1HG1      VAL  61  -3.942  -4.013  -1.558
  478   2HG1  VAL  61          2HG1      VAL  61  -3.503  -2.454  -2.260
  479   3HG1  VAL  61          3HG1      VAL  61  -4.794  -3.414  -2.981
  480   1HG2  VAL  61          1HG2      VAL  61  -6.391  -0.598  -1.396
  481   2HG2  VAL  61          2HG2      VAL  61  -7.126  -1.970  -2.215
  482   3HG2  VAL  61          3HG2      VAL  61  -5.681  -1.220  -2.885
  483    H    TYR  62           H        TYR  62  -7.019  -3.116   1.971
  484    HA   TYR  62           HA       TYR  62  -9.650  -2.221   1.110
  485   1HB   TYR  62          1HB       TYR  62  -8.828  -3.250   3.819
  486   2HB   TYR  62          1HB       TYR  62 -10.464  -2.907   3.284
  487    HD1  TYR  62          1HD       TYR  62  -7.582  -4.893   1.871
  488    HD2  TYR  62          2HD       TYR  62 -11.701  -4.794   2.963
  489    HE1  TYR  62          1HE       TYR  62  -7.831  -7.205   1.122
  490    HE2  TYR  62          2HE       TYR  62 -11.954  -7.115   2.201
  491    HH   TYR  62           HH       TYR  62  -9.382  -9.150   1.609
  492    H    THR  63           H        THR  63  -9.800  -0.161   0.970
  493    HA   THR  63           HA       THR  63  -8.905   1.561   3.203
  494    HB   THR  63           HB       THR  63  -7.647   2.135   1.246
  495    HG1  THR  63          1HG       THR  63  -8.287   3.940   2.297
  496   1HG2  THR  63          1HG2      THR  63 -10.262   1.908  -0.143
  497   2HG2  THR  63          2HG2      THR  63  -8.673   1.320  -0.629
  498   3HG2  THR  63          3HG2      THR  63  -9.056   3.032  -0.756
  499    HA   PRO  64           HA       PRO  64 -13.128   2.721   3.893
  500   1HB   PRO  64          1HB       PRO  64 -12.248   5.506   4.294
  501   2HB   PRO  64          1HB       PRO  64 -13.078   4.402   5.398
  502   1HG   PRO  64          1HG       PRO  64 -10.494   5.020   5.737
  503   2HG   PRO  64          1HG       PRO  64 -11.110   3.393   6.080
  504   1HD   PRO  64          1HD       PRO  64  -9.580   4.377   3.698
  505   2HD   PRO  64          1HD       PRO  64  -9.418   2.849   4.589
  506    H    ALA  65           H        ALA  65 -14.826   3.473   2.865
  507    HA   ALA  65           HA       ALA  65 -14.623   5.033   0.465
  508   1HB   ALA  65          1HB       ALA  65 -16.587   2.913   1.171
  509   2HB   ALA  65          2HB       ALA  65 -15.256   2.761   0.037
  510   3HB   ALA  65          3HB       ALA  65 -16.596   3.841  -0.324
  511    H    MET  66           H        MET  66 -14.834   6.701   2.509
  512    HA   MET  66           HA       MET  66 -17.688   7.234   2.901
  513   1HB   MET  66          1HB       MET  66 -15.513   8.806   4.240
  514   2HB   MET  66          1HB       MET  66 -17.157   8.509   4.779
  515   1HG   MET  66          1HG       MET  66 -16.556   6.133   5.140
  516   2HG   MET  66          1HG       MET  66 -14.888   6.536   4.737
  517   1HE   MET  66          1HE       MET  66 -13.692   5.948   6.381
  518   2HE   MET  66          2HE       MET  66 -13.836   6.258   8.110
  519   3HE   MET  66          3HE       MET  66 -13.144   7.485   7.048
  520    H    GLU  67           H        GLU  67 -18.245   9.668   2.933
  521    HA   GLU  67           HA       GLU  67 -17.990  10.643   0.347
  522   1HB   GLU  67          1HB       GLU  67 -18.873  12.814   1.299
  523   2HB   GLU  67          1HB       GLU  67 -19.849  11.382   1.583
  524   1HG   GLU  67          1HG       GLU  67 -17.894  12.198   3.666
  525   2HG   GLU  67          1HG       GLU  67 -19.373  13.129   3.482
  526    H    SER  68           H        SER  68 -16.464  12.124   3.243
  527    HA   SER  68           HA       SER  68 -14.579  13.454   1.441
  528   1HB   SER  68          1HB       SER  68 -13.990  14.794   3.501
  529   2HB   SER  68          1HB       SER  68 -15.650  14.989   2.939
  530    HG   SER  68           HG       SER  68 -14.682  13.838   5.260
  531    H    VAL  69           H        VAL  69 -14.209  10.722   1.785
  532    HA   VAL  69           HA       VAL  69 -12.018  10.463   3.700
  533    HB   VAL  69           HB       VAL  69 -13.944   8.748   3.388
  534   1HG1  VAL  69          1HG1      VAL  69 -14.077   8.022   1.258
  535   2HG1  VAL  69          2HG1      VAL  69 -12.842   6.894   1.795
  536   3HG1  VAL  69          3HG1      VAL  69 -12.381   8.345   0.918
  537   1HG2  VAL  69          1HG2      VAL  69 -11.418   8.616   4.445
  538   2HG2  VAL  69          2HG2      VAL  69 -11.486   7.196   3.402
  539   3HG2  VAL  69          3HG2      VAL  69 -12.694   7.420   4.667
  540    H    CYS  70           H        CYS  70 -10.297   8.814   2.796
  541    HA   CYS  70           HA       CYS  70  -9.153  10.070   0.418
  542   1HB   CYS  70          1HB       CYS  70  -7.300   8.238   1.427
  543   2HB   CYS  70          1HB       CYS  70  -7.264   9.980   1.637
  544    H    GLY  71           H        GLY  71  -9.653   6.806   1.753
  545   1HA   GLY  71          2HA       GLY  71 -10.212   4.874   0.652
  546   2HA   GLY  71          1HA       GLY  71 -10.604   5.862  -0.750
  547    H    TYR  72           H        TYR  72  -9.319   5.732  -2.448
  548    HA   TYR  72           HA       TYR  72  -6.511   5.457  -2.208
  549   1HB   TYR  72          1HB       TYR  72  -7.346   3.128  -1.671
  550   2HB   TYR  72          1HB       TYR  72  -7.843   3.024  -3.357
  551    HD1  TYR  72          1HD       TYR  72  -6.156   0.977  -2.785
  552    HD2  TYR  72          2HD       TYR  72  -5.033   5.034  -3.404
  553    HE1  TYR  72          1HE       TYR  72  -3.890   0.257  -3.391
  554    HE2  TYR  72          2HE       TYR  72  -2.772   4.326  -4.015
  555    HH   TYR  72           HH       TYR  72  -1.480   1.521  -3.303
  556    H    PHE  73           H        PHE  73  -6.806   7.300  -3.548
  557    HA   PHE  73           HA       PHE  73  -7.950   7.027  -6.111
  558   1HB   PHE  73          1HB       PHE  73  -6.404   9.117  -4.708
  559   2HB   PHE  73          1HB       PHE  73  -6.401   9.176  -6.470
  560    HD1  PHE  73          1HD       PHE  73  -8.482   9.505  -7.711
  561    HD2  PHE  73          2HD       PHE  73  -8.405   9.550  -3.455
  562    HE1  PHE  73          1HE       PHE  73 -10.723  10.520  -7.684
  563    HE2  PHE  73          2HE       PHE  73 -10.644  10.569  -3.422
  564    HZ   PHE  73           HZ       PHE  73 -11.807  11.053  -5.539
  565    H    HIS  74           H        HIS  74  -7.054   5.099  -6.820
  566    HA   HIS  74           HA       HIS  74  -4.225   5.189  -7.522
  567   1HB   HIS  74          1HB       HIS  74  -4.994   3.122  -6.597
  568   2HB   HIS  74          1HB       HIS  74  -6.272   2.993  -7.797
  569    HD1  HIS  74          1HD       HIS  74  -5.583   0.972  -9.116
  570    HD2  HIS  74          2HD       HIS  74  -2.432   3.611  -8.514
  571    HE1  HIS  74          1HE       HIS  74  -3.666   0.049 -10.455
  572    HE2  HIS  74          2HE       HIS  74  -1.732   1.581  -9.955
  573    H    ARG  75           H        ARG  75  -3.582   6.149  -9.268
  574    HA   ARG  75           HA       ARG  75  -5.352   6.295 -11.599
  575   1HB   ARG  75          1HB       ARG  75  -2.988   7.935 -10.706
  576   2HB   ARG  75          1HB       ARG  75  -3.618   8.042 -12.343
  577   1HG   ARG  75          1HG       ARG  75  -4.461   9.813 -10.865
  578   2HG   ARG  75          1HG       ARG  75  -5.747   8.804 -11.525
  579   1HD   ARG  75          1HD       ARG  75  -6.435   8.278  -9.487
  580   2HD   ARG  75          1HD       ARG  75  -4.833   7.686  -9.063
  581    HE   ARG  75           HE       ARG  75  -5.976  10.243  -8.382
  582   1HH1  ARG  75          1HH1      ARG  75  -3.030   8.407  -8.753
  583   2HH1  ARG  75          2HH1      ARG  75  -2.121   9.414  -7.677
  584   1HH2  ARG  75          1HH2      ARG  75  -4.778  11.567  -6.965
  585   2HH2  ARG  75          2HH2      ARG  75  -3.111  11.206  -6.664
  586    H    SER  76           H        SER  76  -4.544   3.861 -11.728
  587    HA   SER  76           HA       SER  76  -2.730   3.846 -13.934
  588   1HB   SER  76          1HB       SER  76  -1.764   3.077 -11.258
  589   2HB   SER  76          1HB       SER  76  -1.389   1.931 -12.545
  590    HG   SER  76           HG       SER  76   0.143   3.730 -12.151
  591    H    HIS  77           H        HIS  77  -3.359   2.357 -15.336
  592    HA   HIS  77           HA       HIS  77  -5.057   0.141 -14.398
  593   1HB   HIS  77          1HB       HIS  77  -5.700   0.011 -16.862
  594   2HB   HIS  77          1HB       HIS  77  -6.234   1.448 -15.996
  595    HD1  HIS  77          1HD       HIS  77  -5.429   3.684 -16.852
  596    HD2  HIS  77          2HD       HIS  77  -3.517   0.475 -18.671
  597    HE1  HIS  77          1HE       HIS  77  -4.108   4.676 -18.748
  598    HE2  HIS  77          2HE       HIS  77  -3.045   2.703 -19.897
  599    H    ASN  78           H        ASN  78  -1.990   0.709 -15.038
  600    HA   ASN  78           HA       ASN  78  -1.267  -1.398 -16.827
  601   1HB   ASN  78          1HB       ASN  78   0.068   0.760 -16.028
  602   2HB   ASN  78          1HB       ASN  78   0.750  -0.398 -14.889
  603   1HD2  ASN  78          1HD2      ASN  78  -0.182  -0.453 -18.315
  604   2HD2  ASN  78          2HD2      ASN  78   1.310  -1.114 -18.884
  605    H    ARG  79           H        ARG  79  -1.470  -3.472 -16.414
  606    HA   ARG  79           HA       ARG  79  -1.557  -4.510 -13.741
  607   1HB   ARG  79          1HB       ARG  79  -1.902  -6.694 -14.858
  608   2HB   ARG  79          1HB       ARG  79  -3.022  -5.456 -15.409
  609   1HG   ARG  79          1HG       ARG  79  -2.467  -6.222 -17.440
  610   2HG   ARG  79          1HG       ARG  79  -1.059  -5.178 -17.237
  611   1HD   ARG  79          1HD       ARG  79  -0.002  -7.118 -17.794
  612   2HD   ARG  79          1HD       ARG  79  -0.089  -7.330 -16.046
  613    HE   ARG  79           HE       ARG  79  -2.391  -8.457 -17.007
  614   1HH1  ARG  79          1HH1      ARG  79   1.021  -8.926 -17.572
  615   2HH1  ARG  79          2HH1      ARG  79   0.856 -10.611 -17.938
  616   1HH2  ARG  79          1HH2      ARG  79  -2.609 -10.673 -17.488
  617   2HH2  ARG  79          2HH2      ARG  79  -1.204 -11.602 -17.891
  618    H    SER  80           H        SER  80   0.980  -3.863 -15.896
  619    HA   SER  80           HA       SER  80   2.708  -5.866 -14.602
  620   1HB   SER  80          1HB       SER  80   2.579  -5.967 -17.098
  621   2HB   SER  80          1HB       SER  80   3.215  -4.323 -17.162
  622    HG   SER  80           HG       SER  80   5.090  -5.258 -17.118
  623    H    GLU  81           H        GLU  81   1.778  -2.780 -14.112
  624    HA   GLU  81           HA       GLU  81   4.476  -1.727 -13.683
  625   1HB   GLU  81          1HB       GLU  81   2.771  -0.227 -14.668
  626   2HB   GLU  81          1HB       GLU  81   1.818  -0.372 -13.196
  627   1HG   GLU  81          1HG       GLU  81   2.899   1.591 -12.788
  628   2HG   GLU  81          1HG       GLU  81   4.033   0.454 -12.060
  629    H    GLU  82           H        GLU  82   5.469  -2.080 -11.877
  630    HA   GLU  82           HA       GLU  82   4.310  -3.215  -9.563
  631   1HB   GLU  82          1HB       GLU  82   7.051  -2.110 -10.152
  632   2HB   GLU  82          1HB       GLU  82   6.620  -2.808  -8.596
  633   1HG   GLU  82          1HG       GLU  82   6.584  -4.925  -9.393
  634   2HG   GLU  82          1HG       GLU  82   6.020  -4.431 -10.987
  635    H    PHE  83           H        PHE  83   4.841  -2.174  -7.305
  636    HA   PHE  83           HA       PHE  83   4.687   0.677  -7.239
  637   1HB   PHE  83          1HB       PHE  83   2.233  -0.950  -6.991
  638   2HB   PHE  83          1HB       PHE  83   2.438   0.324  -5.797
  639    HD1  PHE  83          1HD       PHE  83   1.516  -0.454  -9.181
  640    HD2  PHE  83          2HD       PHE  83   2.802   2.672  -6.598
  641    HE1  PHE  83          1HE       PHE  83   0.695   1.212 -10.793
  642    HE2  PHE  83          2HE       PHE  83   1.981   4.342  -8.203
  643    HZ   PHE  83           HZ       PHE  83   0.925   3.615 -10.304
  644    H    LEU  84           H        LEU  84   4.072   1.377  -4.975
  645    HA   LEU  84           HA       LEU  84   5.393  -0.361  -2.965
  646   1HB   LEU  84          1HB       LEU  84   6.828   1.571  -3.656
  647   2HB   LEU  84          1HB       LEU  84   5.588   2.662  -3.074
  648    HG   LEU  84           HG       LEU  84   7.591   2.261  -1.559
  649   1HD1  LEU  84          1HD1      LEU  84   4.825   2.607  -0.991
  650   2HD1  LEU  84          2HD1      LEU  84   6.223   3.208  -0.104
  651   3HD1  LEU  84          3HD1      LEU  84   5.546   1.628   0.286
  652   1HD2  LEU  84          1HD2      LEU  84   7.733   0.301  -0.283
  653   2HD2  LEU  84          2HD2      LEU  84   7.493  -0.255  -1.941
  654   3HD2  LEU  84          3HD2      LEU  84   6.143  -0.260  -0.805
  655    H    ILE  85           H        ILE  85   4.155  -0.772  -1.202
  656    HA   ILE  85           HA       ILE  85   1.848   1.034  -0.768
  657    HB   ILE  85           HB       ILE  85   1.889  -1.982  -0.545
  658   1HG1  ILE  85          1HG1      ILE  85   2.040  -1.172  -2.862
  659   2HG1  ILE  85          1HG1      ILE  85   0.491  -1.949  -2.553
  660   1HG2  ILE  85          1HG2      ILE  85  -0.043  -1.847   0.562
  661   2HG2  ILE  85          2HG2      ILE  85  -0.743  -0.852  -0.714
  662   3HG2  ILE  85          3HG2      ILE  85   0.127  -0.092   0.618
  663   1HD1  ILE  85          1HD1      ILE  85   0.511   0.949  -2.136
  664   2HD1  ILE  85          2HD1      ILE  85  -0.661  -0.083  -2.954
  665   3HD1  ILE  85          3HD1      ILE  85   0.803   0.425  -3.794
  666    H    ALA  86           H        ALA  86   2.142   2.040   1.039
  667    HA   ALA  86           HA       ALA  86   3.002   0.646   3.529
  668   1HB   ALA  86          1HB       ALA  86   4.298   2.546   3.611
  669   2HB   ALA  86          2HB       ALA  86   2.847   3.157   4.403
  670   3HB   ALA  86          3HB       ALA  86   3.136   3.507   2.703
  671    H    GLY  87           H        GLY  87   1.298  -0.159   4.573
  672   1HA   GLY  87          2HA       GLY  87  -0.992   1.439   5.273
  673   2HA   GLY  87          1HA       GLY  87  -1.382   0.171   4.122
  674    H    LYS  88           H        LYS  88  -2.053   0.653   7.058
  675    HA   LYS  88           HA       LYS  88  -0.912  -1.459   8.600
  676   1HB   LYS  88          1HB       LYS  88  -2.699   0.769   9.001
  677   2HB   LYS  88          1HB       LYS  88  -3.328  -0.656   9.796
  678   1HG   LYS  88          1HG       LYS  88  -0.522  -0.284  10.353
  679   2HG   LYS  88          1HG       LYS  88  -1.449   1.150  10.759
  680   1HD   LYS  88          1HD       LYS  88  -2.553  -1.468  11.605
  681   2HD   LYS  88          1HD       LYS  88  -1.123  -0.878  12.455
  682   1HE   LYS  88          1HE       LYS  88  -2.363   0.538  13.633
  683   2HE   LYS  88          1HE       LYS  88  -2.985   1.268  12.153
  684   1HZ   LYS  88          1HZ       LYS  88  -4.130  -1.289  12.983
  685   2HZ   LYS  88          2HZ       LYS  88  -4.866   0.028  12.220
  686   3HZ   LYS  88          3HZ       LYS  88  -4.553   0.081  13.881
  687    H    LEU  89           H        LEU  89  -2.611  -2.973   9.809
  688    HA   LEU  89           HA       LEU  89  -4.282  -4.273   7.746
  689   1HB   LEU  89          1HB       LEU  89  -2.420  -5.334   9.784
  690   2HB   LEU  89          1HB       LEU  89  -3.904  -6.237   9.558
  691    HG   LEU  89           HG       LEU  89  -1.836  -5.650   7.440
  692   1HD1  LEU  89          1HD1      LEU  89  -0.962  -7.663   7.892
  693   2HD1  LEU  89          2HD1      LEU  89  -2.554  -8.410   8.056
  694   3HD1  LEU  89          3HD1      LEU  89  -1.834  -7.560   9.421
  695   1HD2  LEU  89          1HD2      LEU  89  -3.443  -6.038   5.945
  696   2HD2  LEU  89          2HD2      LEU  89  -4.615  -6.268   7.236
  697   3HD2  LEU  89          3HD2      LEU  89  -3.679  -7.634   6.648
  698    H    GLN  90           H        GLN  90  -6.422  -4.402   8.138
  699    HA   GLN  90           HA       GLN  90  -7.383  -3.998  10.893
  700   1HB   GLN  90          1HB       GLN  90  -8.095  -2.485   8.850
  701   2HB   GLN  90          1HB       GLN  90  -9.192  -3.819   8.518
  702   1HG   GLN  90          1HG       GLN  90 -10.284  -2.082   9.813
  703   2HG   GLN  90          1HG       GLN  90 -10.176  -3.586  10.727
  704   1HE2  GLN  90          1HE2      GLN  90  -9.011  -0.324  10.418
  705   2HE2  GLN  90          2HE2      GLN  90  -8.272  -0.224  11.976
  706    H    ASP  91           H        ASP  91  -7.853  -5.815  11.865
  707    HA   ASP  91           HA       ASP  91  -8.331  -8.027  12.222
  708   1HB   ASP  91          1HB       ASP  91 -10.653  -6.714  10.926
  709   2HB   ASP  91          1HB       ASP  91 -10.743  -8.454  11.188
  710    H    GLY  92           H        GLY  92  -6.650  -7.858   9.866
  711   1HA   GLY  92          2HA       GLY  92  -5.991  -9.964   8.826
  712   2HA   GLY  92          1HA       GLY  92  -7.679 -10.291   8.544
  713    H    LEU  93           H        LEU  93  -7.442  -7.161   7.781
  714    HA   LEU  93           HA       LEU  93  -6.824  -7.763   4.961
  715   1HB   LEU  93          1HB       LEU  93  -8.914  -5.882   6.052
  716   2HB   LEU  93          1HB       LEU  93  -8.537  -6.092   4.355
  717    HG   LEU  93           HG       LEU  93 -10.521  -7.305   4.747
  718   1HD1  LEU  93          1HD1      LEU  93  -9.067  -9.752   4.952
  719   2HD1  LEU  93          2HD1      LEU  93  -8.160  -8.614   3.957
  720   3HD1  LEU  93          3HD1      LEU  93  -9.823  -9.018   3.539
  721   1HD2  LEU  93          1HD2      LEU  93 -11.049  -8.523   6.595
  722   2HD2  LEU  93          2HD2      LEU  93  -9.904  -7.392   7.316
  723   3HD2  LEU  93          3HD2      LEU  93  -9.381  -9.021   6.885
  724    H    LEU  94           H        LEU  94  -5.788  -6.234   3.726
  725    HA   LEU  94           HA       LEU  94  -4.064  -4.466   5.118
  726   1HB   LEU  94          1HB       LEU  94  -3.382  -5.508   3.028
  727   2HB   LEU  94          1HB       LEU  94  -4.699  -4.724   2.178
  728    HG   LEU  94           HG       LEU  94  -3.665  -2.542   2.530
  729   1HD1  LEU  94          1HD1      LEU  94  -1.248  -3.871   3.670
  730   2HD1  LEU  94          2HD1      LEU  94  -2.564  -3.363   4.724
  731   3HD1  LEU  94          3HD1      LEU  94  -1.721  -2.176   3.729
  732   1HD2  LEU  94          1HD2      LEU  94  -1.269  -3.547   1.492
  733   2HD2  LEU  94          2HD2      LEU  94  -2.677  -2.991   0.589
  734   3HD2  LEU  94          3HD2      LEU  94  -2.516  -4.697   1.007
  735    H    HIS  95           H        HIS  95  -4.012  -2.158   4.919
  736    HA   HIS  95           HA       HIS  95  -6.458  -0.910   3.996
  737   1HB   HIS  95          1HB       HIS  95  -5.546  -0.841   6.846
  738   2HB   HIS  95          1HB       HIS  95  -6.399   0.537   6.159
  739    HD1  HIS  95          1HD       HIS  95  -8.800   0.448   6.709
  740    HD2  HIS  95          2HD       HIS  95  -7.219  -3.347   6.130
  741    HE1  HIS  95          1HE       HIS  95 -10.726  -1.140   7.025
  742    HE2  HIS  95          2HE       HIS  95  -9.751  -3.429   6.636
  743    H    ILE  96           H        ILE  96  -6.223   1.085   3.234
  744    HA   ILE  96           HA       ILE  96  -3.744   2.550   3.651
  745    HB   ILE  96           HB       ILE  96  -3.276   2.700   1.181
  746   1HG1  ILE  96          1HG1      ILE  96  -5.491   1.756   0.493
  747   2HG1  ILE  96          1HG1      ILE  96  -4.110   1.002  -0.293
  748   1HG2  ILE  96          1HG2      ILE  96  -2.890   0.048   2.556
  749   2HG2  ILE  96          2HG2      ILE  96  -1.818   1.446   2.621
  750   3HG2  ILE  96          3HG2      ILE  96  -2.032   0.567   1.109
  751   1HD1  ILE  96          1HD1      ILE  96  -5.725  -0.130   1.976
  752   2HD1  ILE  96          2HD1      ILE  96  -4.274  -0.869   1.311
  753   3HD1  ILE  96          3HD1      ILE  96  -5.708  -0.670   0.312
  754    H    THR  97           H        THR  97  -3.688   4.527   2.159
  755    HA   THR  97           HA       THR  97  -6.244   5.471   1.233
  756    HB   THR  97           HB       THR  97  -6.214   7.469   2.713
  757    HG1  THR  97          1HG       THR  97  -4.090   6.052   3.889
  758   1HG2  THR  97          1HG2      THR  97  -6.309   5.496   4.809
  759   2HG2  THR  97          2HG2      THR  97  -7.160   4.957   3.367
  760   3HG2  THR  97          3HG2      THR  97  -7.605   6.472   4.127
  761    H    THR  98           H        THR  98  -6.078   7.611   0.193
  762    HA   THR  98           HA       THR  98  -3.623   7.851  -1.253
  763    HB   THR  98           HB       THR  98  -5.581   8.383  -2.473
  764    HG1  THR  98          1HG       THR  98  -3.844   9.775  -2.914
  765   1HG2  THR  98          1HG2      THR  98  -6.274  10.158  -0.180
  766   2HG2  THR  98          2HG2      THR  98  -7.259   8.946  -1.001
  767   3HG2  THR  98          3HG2      THR  98  -6.905  10.482  -1.794
  768    H    CYS  99           H        CYS  99  -4.207   8.587   1.767
  769    HA   CYS  99           HA       CYS  99  -2.491  10.975   1.775
  770   1HB   CYS  99          1HB       CYS  99  -4.951  10.408   3.273
  771   2HB   CYS  99          1HB       CYS  99  -3.603  10.942   4.288
  772    H    SER 100           H        SER 100  -2.150   7.947   1.852
  773    HA   SER 100           HA       SER 100  -0.342   7.791   4.161
  774   1HB   SER 100          1HB       SER 100  -2.422   6.031   3.433
  775   2HB   SER 100          1HB       SER 100  -0.932   5.219   2.970
  776    HG   SER 100           HG       SER 100  -1.952   5.684   5.446
  777    H    PHE 101           H        PHE 101   1.684   6.543   3.671
  778    HA   PHE 101           HA       PHE 101   2.794   7.466   1.262
  779   1HB   PHE 101          1HB       PHE 101   4.081   6.880   3.335
  780   2HB   PHE 101          1HB       PHE 101   3.950   5.193   2.845
  781    HD1  PHE 101          1HD       PHE 101   5.843   8.150   2.608
  782    HD2  PHE 101          2HD       PHE 101   4.754   4.665   0.425
  783    HE1  PHE 101          1HE       PHE 101   7.794   8.463   1.144
  784    HE2  PHE 101          2HE       PHE 101   6.708   4.967  -1.039
  785    HZ   PHE 101           HZ       PHE 101   8.231   6.871  -0.682
  786    H    VAL 102           H        VAL 102   1.985   6.794  -0.670
  787    HA   VAL 102           HA       VAL 102   2.133   3.941  -1.294
  788    HB   VAL 102           HB       VAL 102  -0.393   5.504  -1.831
  789   1HG1  VAL 102          1HG1      VAL 102   0.626   2.885  -2.651
  790   2HG1  VAL 102          2HG1      VAL 102  -0.612   3.906  -3.382
  791   3HG1  VAL 102          3HG1      VAL 102  -1.019   2.866  -2.016
  792   1HG2  VAL 102          1HG2      VAL 102  -1.465   4.404  -0.057
  793   2HG2  VAL 102          2HG2      VAL 102   0.063   4.962   0.617
  794   3HG2  VAL 102          3HG2      VAL 102  -0.134   3.271   0.161
  795    H    ALA 103           H        ALA 103   3.569   4.085  -2.974
  796    HA   ALA 103           HA       ALA 103   2.640   5.339  -5.409
  797   1HB   ALA 103          1HB       ALA 103   4.575   6.710  -3.704
  798   2HB   ALA 103          2HB       ALA 103   3.545   7.335  -4.992
  799   3HB   ALA 103          3HB       ALA 103   5.077   6.555  -5.387
  800    HA   PRO 104           HA       PRO 104   5.086   2.532  -7.779
  801   1HB   PRO 104          1HB       PRO 104   6.705   4.805  -8.806
  802   2HB   PRO 104          1HB       PRO 104   5.896   3.508  -9.694
  803   1HG   PRO 104          1HG       PRO 104   4.807   5.924  -9.638
  804   2HG   PRO 104          1HG       PRO 104   3.770   4.501  -9.414
  805   1HD   PRO 104          1HD       PRO 104   4.823   6.419  -7.360
  806   2HD   PRO 104          1HD       PRO 104   3.214   5.679  -7.482
  807    H    TRP 105           H        TRP 105   6.571   1.228  -7.013
  808    HA   TRP 105           HA       TRP 105   8.714   1.844  -5.354
  809   1HB   TRP 105          1HB       TRP 105   7.877  -0.435  -6.070
  810   2HB   TRP 105          1HB       TRP 105   8.678  -0.200  -7.587
  811    HD1  TRP 105           HD       TRP 105  10.835  -1.433  -7.715
  812    HE1  TRP 105          1HE       TRP 105  12.656  -2.153  -6.077
  813    HE3  TRP 105          3HE       TRP 105   8.909   0.563  -3.413
  814    HZ2  TRP 105          2HZ       TRP 105  13.225  -1.925  -3.325
  815    HZ3  TRP 105          3HZ       TRP 105  10.175   0.269  -1.311
  816    HH2  TRP 105           HH       TRP 105  12.287  -0.945  -1.289
  817    H    ASN 106           H        ASN 106   8.458   1.391  -8.788
  818    HA   ASN 106           HA       ASN 106  10.923   2.048  -9.575
  819   1HB   ASN 106          1HB       ASN 106   8.327   2.174 -11.012
  820   2HB   ASN 106          1HB       ASN 106   9.832   2.597 -11.826
  821   1HD2  ASN 106          1HD2      ASN 106   7.731   0.214 -11.573
  822   2HD2  ASN 106          2HD2      ASN 106   8.763  -1.163 -11.723
  823    H    SER 107           H        SER 107   9.519   4.149  -7.826
  824    HA   SER 107           HA       SER 107  10.510   6.462  -9.330
  825   1HB   SER 107          1HB       SER 107   8.061   6.253  -7.601
  826   2HB   SER 107          1HB       SER 107   8.865   7.807  -7.823
  827    HG   SER 107           HG       SER 107   7.976   6.150  -9.949
  828    H    LEU 108           H        LEU 108  10.800   4.515  -6.791
  829    HA   LEU 108           HA       LEU 108  11.772   6.209  -4.742
  830   1HB   LEU 108          1HB       LEU 108  11.481   3.351  -5.258
  831   2HB   LEU 108          1HB       LEU 108  12.726   3.776  -4.096
  832    HG   LEU 108           HG       LEU 108  10.958   5.088  -2.864
  833   1HD1  LEU 108          1HD1      LEU 108   9.488   4.812  -5.084
  834   2HD1  LEU 108          2HD1      LEU 108   8.809   5.116  -3.487
  835   3HD1  LEU 108          3HD1      LEU 108   8.860   3.473  -4.127
  836   1HD2  LEU 108          1HD2      LEU 108  11.728   2.538  -2.602
  837   2HD2  LEU 108          2HD2      LEU 108  10.007   2.303  -2.903
  838   3HD2  LEU 108          3HD2      LEU 108  10.535   3.302  -1.552
  839    H    SER 109           H        SER 109  13.772   6.136  -3.808
  840    HA   SER 109           HA       SER 109  16.007   6.429  -5.634
  841   1HB   SER 109          1HB       SER 109  16.377   6.253  -2.670
  842   2HB   SER 109          1HB       SER 109  17.227   7.233  -3.836
  843    HG   SER 109           HG       SER 109  15.417   8.577  -3.981
  844    H    LEU 110           H        LEU 110  16.996   4.857  -6.414
  845    HA   LEU 110           HA       LEU 110  16.871   2.232  -6.053
  846   1HB   LEU 110          1HB       LEU 110  19.058   2.076  -6.947
  847   2HB   LEU 110          1HB       LEU 110  18.347   3.540  -7.585
  848    HG   LEU 110           HG       LEU 110  20.539   4.095  -7.075
  849   1HD1  LEU 110          1HD1      LEU 110  20.000   6.019  -6.239
  850   2HD1  LEU 110          2HD1      LEU 110  19.982   5.309  -4.629
  851   3HD1  LEU 110          3HD1      LEU 110  18.511   5.348  -5.595
  852   1HD2  LEU 110          1HD2      LEU 110  20.225   2.194  -4.953
  853   2HD2  LEU 110          2HD2      LEU 110  21.041   3.660  -4.406
  854   3HD2  LEU 110          3HD2      LEU 110  21.689   2.741  -5.765
  855    H    ALA 111           H        ALA 111  18.438   4.471  -3.845
  856    HA   ALA 111           HA       ALA 111  19.655   2.457  -2.238
  857   1HB   ALA 111          1HB       ALA 111  20.575   4.194  -1.030
  858   2HB   ALA 111          2HB       ALA 111  19.134   5.199  -1.216
  859   3HB   ALA 111          3HB       ALA 111  20.256   5.005  -2.568
  860    H    GLN 112           H        GLN 112  16.816   4.421  -2.285
  861    HA   GLN 112           HA       GLN 112  15.768   3.445   0.214
  862   1HB   GLN 112          1HB       GLN 112  15.226   5.687  -0.169
  863   2HB   GLN 112          1HB       GLN 112  15.019   5.439  -1.889
  864   1HG   GLN 112          1HG       GLN 112  12.935   4.115  -1.244
  865   2HG   GLN 112          1HG       GLN 112  13.103   4.920   0.315
  866   1HE2  GLN 112          1HE2      GLN 112  10.863   5.577  -0.767
  867   2HE2  GLN 112          2HE2      GLN 112  10.900   7.105  -1.567
  868    H    ARG 113           H        ARG 113  16.183   2.280  -2.765
  869    HA   ARG 113           HA       ARG 113  13.694   0.811  -3.021
  870   1HB   ARG 113          1HB       ARG 113  15.720   1.449  -4.804
  871   2HB   ARG 113          1HB       ARG 113  16.069  -0.226  -4.402
  872   1HG   ARG 113          1HG       ARG 113  14.601  -0.781  -5.968
  873   2HG   ARG 113          1HG       ARG 113  13.366  -0.204  -4.863
  874   1HD   ARG 113          1HD       ARG 113  12.832   1.454  -6.189
  875   2HD   ARG 113          1HD       ARG 113  14.523   2.004  -6.233
  876    HE   ARG 113           HE       ARG 113  13.793  -0.235  -7.959
  877   1HH1  ARG 113          1HH1      ARG 113  14.447   3.186  -7.688
  878   2HH1  ARG 113          2HH1      ARG 113  14.773   3.380  -9.376
  879   1HH2  ARG 113          1HH2      ARG 113  14.221   0.025 -10.175
  880   2HH2  ARG 113          2HH2      ARG 113  14.644   1.589 -10.788
  881    H    ARG 114           H        ARG 114  17.061   0.438  -2.022
  882    HA   ARG 114           HA       ARG 114  16.550  -2.200  -0.964
  883   1HB   ARG 114          1HB       ARG 114  18.770  -2.410  -0.766
  884   2HB   ARG 114          1HB       ARG 114  18.780  -1.069  -1.887
  885   1HG   ARG 114          1HG       ARG 114  20.371  -0.479  -0.329
  886   2HG   ARG 114          1HG       ARG 114  18.954   0.398   0.224
  887   1HD   ARG 114          1HD       ARG 114  19.671  -0.534   2.191
  888   2HD   ARG 114          1HD       ARG 114  18.547  -1.770   1.631
  889    HE   ARG 114           HE       ARG 114  20.315  -3.196   1.251
  890   1HH1  ARG 114          1HH1      ARG 114  21.521  -0.004   2.002
  891   2HH1  ARG 114          2HH1      ARG 114  23.155  -0.536   2.207
  892   1HH2  ARG 114          1HH2      ARG 114  22.464  -3.893   1.521
  893   2HH2  ARG 114          2HH2      ARG 114  23.691  -2.741   1.933
  894    H    GLY 115           H        GLY 115  17.312   1.000   0.372
  895   1HA   GLY 115          2HA       GLY 115  17.179   0.451   3.042
  896   2HA   GLY 115          1HA       GLY 115  16.608   1.961   2.327
  897    H    PHE 116           H        PHE 116  14.273   1.110   0.903
  898    HA   PHE 116           HA       PHE 116  12.551   0.866   3.126
  899   1HB   PHE 116          1HB       PHE 116  12.167   0.447   0.204
  900   2HB   PHE 116          1HB       PHE 116  10.988  -0.329   1.261
  901    HD1  PHE 116          1HD       PHE 116  12.607   2.992   0.660
  902    HD2  PHE 116          2HD       PHE 116   9.200   0.859   2.041
  903    HE1  PHE 116          1HE       PHE 116  11.396   5.114   0.960
  904    HE2  PHE 116          2HE       PHE 116   7.986   2.971   2.345
  905    HZ   PHE 116           HZ       PHE 116   9.083   5.103   1.800
  906    H    THR 117           H        THR 117  13.523  -1.626   0.849
  907    HA   THR 117           HA       THR 117  12.654  -3.861   2.093
  908    HB   THR 117           HB       THR 117  14.443  -3.260   0.028
  909    HG1  THR 117          1HG       THR 117  12.751  -5.115   0.625
  910   1HG2  THR 117          1HG2      THR 117  16.461  -3.671   1.106
  911   2HG2  THR 117          2HG2      THR 117  16.076  -5.218   0.360
  912   3HG2  THR 117          3HG2      THR 117  15.798  -4.980   2.082
  913    H    LYS 118           H        LYS 118  15.260  -1.804   3.278
  914    HA   LYS 118           HA       LYS 118  15.444  -3.574   5.609
  915   1HB   LYS 118          1HB       LYS 118  17.766  -3.751   5.578
  916   2HB   LYS 118          1HB       LYS 118  17.287  -3.968   3.901
  917   1HG   LYS 118          1HG       LYS 118  18.639  -2.359   3.291
  918   2HG   LYS 118          1HG       LYS 118  17.787  -1.207   4.307
  919   1HD   LYS 118          1HD       LYS 118  19.198  -2.045   6.226
  920   2HD   LYS 118          1HD       LYS 118  20.146  -2.931   5.030
  921   1HE   LYS 118          1HE       LYS 118  21.126  -1.058   4.216
  922   2HE   LYS 118          1HE       LYS 118  19.687  -0.072   4.463
  923   1HZ   LYS 118          1HZ       LYS 118  20.196   0.127   6.773
  924   2HZ   LYS 118          2HZ       LYS 118  21.583   0.543   5.900
  925   3HZ   LYS 118          3HZ       LYS 118  21.480  -0.969   6.650
  926    H    THR 119           H        THR 119  16.106  -0.329   4.385
  927    HA   THR 119           HA       THR 119  17.122   0.789   6.726
  928    HB   THR 119           HB       THR 119  16.344   3.001   5.761
  929    HG1  THR 119          1HG       THR 119  15.689   2.983   3.662
  930   1HG2  THR 119          1HG2      THR 119  18.579   2.638   5.330
  931   2HG2  THR 119          2HG2      THR 119  17.926   2.728   3.696
  932   3HG2  THR 119          3HG2      THR 119  18.281   1.161   4.422
  933    H    TYR 120           H        TYR 120  13.629   1.137   5.577
  934    HA   TYR 120           HA       TYR 120  13.342   2.772   7.861
  935   1HB   TYR 120          1HB       TYR 120  11.212   2.065   5.891
  936   2HB   TYR 120          1HB       TYR 120  11.249   3.390   7.032
  937    HD1  TYR 120          1HD       TYR 120  11.785   5.483   6.301
  938    HD2  TYR 120          2HD       TYR 120  13.233   2.128   4.136
  939    HE1  TYR 120          1HE       TYR 120  12.693   6.990   4.584
  940    HE2  TYR 120          2HE       TYR 120  14.146   3.622   2.413
  941    HH   TYR 120           HH       TYR 120  14.620   6.835   2.832
  942    H    THR 121           H        THR 121  13.586  -0.170   8.276
  943    HA   THR 121           HA       THR 121  10.981  -0.731   9.471
  944    HB   THR 121           HB       THR 121  11.354  -2.863   8.977
  945    HG1  THR 121          1HG       THR 121  13.156  -3.983   9.793
  946   1HG2  THR 121          1HG2      THR 121  14.076  -2.727   7.958
  947   2HG2  THR 121          2HG2      THR 121  12.986  -1.542   7.240
  948   3HG2  THR 121          3HG2      THR 121  12.590  -3.258   7.173
  949    H    VAL 122           H        VAL 122  14.121  -0.097  10.070
  950    HA   VAL 122           HA       VAL 122  13.846  -0.038  13.004
  951    HB   VAL 122           HB       VAL 122  16.510  -0.453  11.732
  952   1HG1  VAL 122          1HG1      VAL 122  17.244  -0.821  13.828
  953   2HG1  VAL 122          2HG1      VAL 122  15.823  -1.767  14.266
  954   3HG1  VAL 122          3HG1      VAL 122  15.756  -0.004  14.307
  955   1HG2  VAL 122          1HG2      VAL 122  15.767  -2.388  10.855
  956   2HG2  VAL 122          2HG2      VAL 122  14.319  -2.403  11.862
  957   3HG2  VAL 122          3HG2      VAL 122  15.853  -2.974  12.517
  958    H    GLY 123           H        GLY 123  14.939   1.522  10.102
  959   1HA   GLY 123          2HA       GLY 123  15.703   3.884  11.688
  960   2HA   GLY 123          1HA       GLY 123  16.631   3.365  10.287
  961    H    CYS 124           H        CYS 124  13.185   3.280  10.574
  962    HA   CYS 124           HA       CYS 124  12.623   4.455   8.103
  963   1HB   CYS 124          1HB       CYS 124  10.321   4.758   9.008
  964   2HB   CYS 124          1HB       CYS 124  11.010   3.158   9.251
  965    H    GLU 125           H        GLU 125  14.293   6.244   8.378
  966    HA   GLU 125           HA       GLU 125  12.886   8.659   9.323
  967   1HB   GLU 125          1HB       GLU 125  15.570   9.311   9.494
  968   2HB   GLU 125          1HB       GLU 125  14.523   8.889  10.847
  969   1HG   GLU 125          1HG       GLU 125  15.131   6.505  10.471
  970   2HG   GLU 125          1HG       GLU 125  16.321   7.064   9.288
  971    H    GLU 126           H        GLU 126  12.169   8.648   7.086
  972    HA   GLU 126           HA       GLU 126  13.578   8.777   4.819
  973   1HB   GLU 126          1HB       GLU 126  11.864  10.419   3.993
  974   2HB   GLU 126          1HB       GLU 126  11.211   8.988   4.768
  975   1HG   GLU 126          1HG       GLU 126   9.934  10.453   5.872
  976   2HG   GLU 126          1HG       GLU 126  11.365  10.645   6.884
  Start of MODEL    4
    1   1H    CYS   1          1HT       CYS   1  -8.614  15.407   5.713
    2   2H    CYS   1          2HT       CYS   1 -10.192  14.766   5.921
    3   3H    CYS   1          3HT       CYS   1  -9.679  15.305   4.374
    4    HA   CYS   1           HA       CYS   1  -8.562  13.031   5.884
    5   1HB   CYS   1          1HB       CYS   1 -10.927  13.013   4.702
    6   2HB   CYS   1          1HB       CYS   1  -9.967  12.855   3.255
    7    H    THR   2           H        THR   2  -8.871  14.533   2.706
    8    HA   THR   2           HA       THR   2  -6.771  13.209   1.535
    9    HB   THR   2           HB       THR   2  -6.833  15.021  -0.185
   10    HG1  THR   2          1HG       THR   2  -7.381  16.856   0.745
   11   1HG2  THR   2          1HG2      THR   2  -9.684  14.626   0.228
   12   2HG2  THR   2          2HG2      THR   2  -8.745  13.137   0.326
   13   3HG2  THR   2          3HG2      THR   2  -8.650  14.145  -1.118
   14    H    CYS   3           H        CYS   3  -5.083  13.315   3.200
   15    HA   CYS   3           HA       CYS   3  -3.769  15.801   3.768
   16   1HB   CYS   3          1HB       CYS   3  -2.237  13.267   4.044
   17   2HB   CYS   3          1HB       CYS   3  -2.366  14.619   5.148
   18    H    VAL   4           H        VAL   4  -1.164  15.573   3.407
   19    HA   VAL   4           HA       VAL   4  -0.841  15.319   0.488
   20    HB   VAL   4           HB       VAL   4   0.896  16.934   0.567
   21   1HG1  VAL   4          1HG1      VAL   4  -0.770  18.412   0.580
   22   2HG1  VAL   4          2HG1      VAL   4  -0.378  18.672   2.279
   23   3HG1  VAL   4          3HG1      VAL   4  -1.651  17.537   1.832
   24   1HG2  VAL   4          1HG2      VAL   4   1.729  17.899   2.692
   25   2HG2  VAL   4          2HG2      VAL   4   2.102  16.185   2.506
   26   3HG2  VAL   4          3HG2      VAL   4   0.789  16.690   3.569
   27    HA   PRO   5           HA       PRO   5   2.081  12.006   0.420
   28   1HB   PRO   5          1HB       PRO   5   4.165  14.095  -0.125
   29   2HB   PRO   5          1HB       PRO   5   3.933  12.520  -0.895
   30   1HG   PRO   5          1HG       PRO   5   3.087  14.738  -2.092
   31   2HG   PRO   5          1HG       PRO   5   2.129  13.248  -2.153
   32   1HD   PRO   5          1HD       PRO   5   1.627  15.747  -0.643
   33   2HD   PRO   5          1HD       PRO   5   0.479  14.529  -1.220
   34    HA   PRO   6           HA       PRO   6   3.810  12.770   4.514
   35   1HB   PRO   6          1HB       PRO   6   2.815  10.612   5.718
   36   2HB   PRO   6          1HB       PRO   6   1.821  12.012   5.314
   37   1HG   PRO   6          1HG       PRO   6   1.875   9.337   4.077
   38   2HG   PRO   6          1HG       PRO   6   0.589  10.551   4.076
   39   1HD   PRO   6          1HD       PRO   6   2.541  10.007   2.014
   40   2HD   PRO   6          1HD       PRO   6   1.191  11.158   1.983
   41    H    HIS   7           H        HIS   7   5.836  12.509   4.918
   42    HA   HIS   7           HA       HIS   7   7.693  11.020   3.916
   43   1HB   HIS   7          1HB       HIS   7   7.341  11.651   6.828
   44   2HB   HIS   7          1HB       HIS   7   8.808  10.939   6.175
   45    HD1  HIS   7          1HD       HIS   7  10.138  12.401   4.436
   46    HD2  HIS   7          2HD       HIS   7   7.149  14.380   6.512
   47    HE1  HIS   7          1HE       HIS   7  10.619  14.841   4.114
   48    HE2  HIS   7          2HE       HIS   7   8.747  16.026   5.313
   49    HA   PRO   8           HA       PRO   8   6.865   6.662   4.479
   50   1HB   PRO   8          1HB       PRO   8   9.165   5.781   3.444
   51   2HB   PRO   8          1HB       PRO   8   7.909   6.483   2.417
   52   1HG   PRO   8          1HG       PRO   8  10.310   7.796   3.602
   53   2HG   PRO   8          1HG       PRO   8   9.777   7.829   1.915
   54   1HD   PRO   8          1HD       PRO   8   9.234   9.869   3.590
   55   2HD   PRO   8          1HD       PRO   8   8.050   9.326   2.382
   56    H    GLN   9           H        GLN   9   9.145   8.624   5.928
   57    HA   GLN   9           HA       GLN   9  10.595   6.675   7.439
   58   1HB   GLN   9          1HB       GLN   9  11.162   8.645   8.910
   59   2HB   GLN   9          1HB       GLN   9  11.578   8.881   7.224
   60   1HG   GLN   9          1HG       GLN   9  10.524  10.819   7.397
   61   2HG   GLN   9          1HG       GLN   9   9.045   9.863   7.350
   62   1HE2  GLN   9          1HE2      GLN   9   7.884  11.277   8.580
   63   2HE2  GLN   9          2HE2      GLN   9   8.158  11.496  10.270
   64    H    THR  10           H        THR  10   7.654   8.564   7.746
   65    HA   THR  10           HA       THR  10   7.063   7.482  10.364
   66    HB   THR  10           HB       THR  10   6.218   9.775   8.690
   67    HG1  THR  10          1HG       THR  10   5.939   9.899  11.412
   68   1HG2  THR  10          1HG2      THR  10   4.153   8.131   9.739
   69   2HG2  THR  10          2HG2      THR  10   4.034   9.698   8.936
   70   3HG2  THR  10          3HG2      THR  10   4.232   9.614  10.687
   71    H    ALA  11           H        ALA  11   5.966   7.536   6.978
   72    HA   ALA  11           HA       ALA  11   3.602   6.063   7.193
   73   1HB   ALA  11          1HB       ALA  11   4.691   7.319   5.205
   74   2HB   ALA  11          2HB       ALA  11   3.609   5.950   4.933
   75   3HB   ALA  11          3HB       ALA  11   5.355   5.727   4.834
   76    H    PHE  12           H        PHE  12   6.960   4.981   7.034
   77    HA   PHE  12           HA       PHE  12   6.308   2.247   6.550
   78   1HB   PHE  12          1HB       PHE  12   8.559   3.475   6.142
   79   2HB   PHE  12          1HB       PHE  12   8.873   3.142   7.840
   80    HD1  PHE  12          1HD       PHE  12   8.254   0.543   8.447
   81    HD2  PHE  12          2HD       PHE  12   9.516   2.042   4.671
   82    HE1  PHE  12          1HE       PHE  12   9.095  -1.690   7.841
   83    HE2  PHE  12          2HE       PHE  12  10.353  -0.189   4.058
   84    HZ   PHE  12           HZ       PHE  12  10.143  -2.060   5.645
   85    H    CYS  13           H        CYS  13   7.853   3.691   9.381
   86    HA   CYS  13           HA       CYS  13   7.397   1.516  11.045
   87   1HB   CYS  13          1HB       CYS  13   8.276   4.333  11.459
   88   2HB   CYS  13          1HB       CYS  13   7.958   3.301  12.847
   89    H    ASN  14           H        ASN  14   4.974   3.972  10.249
   90    HA   ASN  14           HA       ASN  14   3.813   3.617  12.873
   91   1HB   ASN  14          1HB       ASN  14   3.960   5.863  11.611
   92   2HB   ASN  14          1HB       ASN  14   2.750   5.191  10.525
   93   1HD2  ASN  14          1HD2      ASN  14   0.814   5.915  10.955
   94   2HD2  ASN  14          2HD2      ASN  14   0.163   6.232  12.524
   95    H    SER  15           H        SER  15   3.521   2.684   9.503
   96    HA   SER  15           HA       SER  15   0.906   1.810   9.483
   97   1HB   SER  15          1HB       SER  15   2.588   2.208   7.552
   98   2HB   SER  15          1HB       SER  15   3.010   0.517   7.796
   99    HG   SER  15           HG       SER  15   0.325   1.335   7.507
  100    H    ASP  16           H        ASP  16   0.868  -0.410   8.531
  101    HA   ASP  16           HA       ASP  16   1.852  -2.464  10.283
  102   1HB   ASP  16          1HB       ASP  16  -1.060  -1.950  10.073
  103   2HB   ASP  16          1HB       ASP  16  -0.469  -3.563  10.431
  104    H    LEU  17           H        LEU  17   1.591  -1.526   7.369
  105    HA   LEU  17           HA       LEU  17   2.338  -3.989   6.354
  106   1HB   LEU  17          1HB       LEU  17  -0.493  -3.447   5.995
  107   2HB   LEU  17          1HB       LEU  17   0.336  -3.719   4.472
  108    HG   LEU  17           HG       LEU  17   0.000  -5.587   6.793
  109   1HD1  LEU  17          1HD1      LEU  17  -1.412  -5.322   4.517
  110   2HD1  LEU  17          2HD1      LEU  17  -1.216  -6.850   5.366
  111   3HD1  LEU  17          3HD1      LEU  17  -0.187  -6.471   3.988
  112   1HD2  LEU  17          1HD2      LEU  17   2.198  -5.585   4.775
  113   2HD2  LEU  17          2HD2      LEU  17   1.545  -7.112   5.370
  114   3HD2  LEU  17          3HD2      LEU  17   2.252  -5.956   6.500
  115    H    VAL  18           H        VAL  18   3.916  -3.498   5.098
  116    HA   VAL  18           HA       VAL  18   3.671  -1.207   3.256
  117    HB   VAL  18           HB       VAL  18   6.263  -2.020   4.599
  118   1HG1  VAL  18          1HG1      VAL  18   6.381  -0.824   2.442
  119   2HG1  VAL  18          2HG1      VAL  18   7.088   0.092   3.773
  120   3HG1  VAL  18          3HG1      VAL  18   5.491   0.520   3.159
  121   1HG2  VAL  18          1HG2      VAL  18   4.271  -0.970   6.068
  122   2HG2  VAL  18          2HG2      VAL  18   4.952   0.519   5.415
  123   3HG2  VAL  18          3HG2      VAL  18   5.969  -0.583   6.344
  124    H    ILE  19           H        ILE  19   3.721  -2.115   1.241
  125    HA   ILE  19           HA       ILE  19   5.730  -4.145   0.692
  126    HB   ILE  19           HB       ILE  19   4.065  -5.736  -0.111
  127   1HG1  ILE  19          1HG1      ILE  19   1.746  -4.529   1.180
  128   2HG1  ILE  19          1HG1      ILE  19   2.360  -3.516  -0.121
  129   1HG2  ILE  19          1HG2      ILE  19   3.029  -5.130   2.591
  130   2HG2  ILE  19          2HG2      ILE  19   4.765  -5.365   2.432
  131   3HG2  ILE  19          3HG2      ILE  19   3.668  -6.624   1.928
  132   1HD1  ILE  19          1HD1      ILE  19   0.856  -4.827  -1.232
  133   2HD1  ILE  19          2HD1      ILE  19   1.185  -6.244  -0.233
  134   3HD1  ILE  19          3HD1      ILE  19   2.342  -5.746  -1.469
  135    H    ARG  20           H        ARG  20   5.826  -4.766  -1.462
  136    HA   ARG  20           HA       ARG  20   4.900  -2.713  -3.312
  137   1HB   ARG  20          1HB       ARG  20   6.582  -3.609  -4.904
  138   2HB   ARG  20          1HB       ARG  20   7.276  -2.978  -3.422
  139   1HG   ARG  20          1HG       ARG  20   7.464  -5.287  -2.575
  140   2HG   ARG  20          1HG       ARG  20   6.886  -5.866  -4.132
  141   1HD   ARG  20          1HD       ARG  20   9.101  -3.963  -4.308
  142   2HD   ARG  20          1HD       ARG  20   9.503  -5.463  -3.487
  143    HE   ARG  20           HE       ARG  20   8.523  -5.251  -6.252
  144   1HH1  ARG  20          1HH1      ARG  20  10.157  -7.039  -3.733
  145   2HH1  ARG  20          2HH1      ARG  20  10.751  -8.248  -4.818
  146   1HH2  ARG  20          1HH2      ARG  20   9.308  -6.861  -7.666
  147   2HH2  ARG  20          2HH2      ARG  20  10.263  -8.161  -7.031
  148    H    ALA  21           H        ALA  21   3.686  -3.128  -4.891
  149    HA   ALA  21           HA       ALA  21   2.943  -5.847  -5.680
  150   1HB   ALA  21          1HB       ALA  21   0.957  -4.066  -4.309
  151   2HB   ALA  21          2HB       ALA  21   1.526  -5.657  -3.810
  152   3HB   ALA  21          3HB       ALA  21   0.505  -5.494  -5.239
  153    H    LYS  22           H        LYS  22   1.216  -5.999  -7.197
  154    HA   LYS  22           HA       LYS  22   1.163  -3.816  -9.189
  155   1HB   LYS  22          1HB       LYS  22   1.531  -6.731  -9.384
  156   2HB   LYS  22          1HB       LYS  22   0.451  -6.057 -10.582
  157   1HG   LYS  22          1HG       LYS  22   2.181  -4.854 -11.556
  158   2HG   LYS  22          1HG       LYS  22   3.166  -4.902 -10.097
  159   1HD   LYS  22          1HD       LYS  22   2.911  -7.546 -10.626
  160   2HD   LYS  22          1HD       LYS  22   2.900  -6.883 -12.259
  161   1HE   LYS  22          1HE       LYS  22   5.004  -5.744 -11.831
  162   2HE   LYS  22          1HE       LYS  22   4.997  -6.319 -10.164
  163   1HZ   LYS  22          1HZ       LYS  22   4.928  -8.208 -12.433
  164   2HZ   LYS  22          2HZ       LYS  22   5.401  -8.495 -10.834
  165   3HZ   LYS  22          3HZ       LYS  22   6.394  -7.586 -11.860
  166    H    PHE  23           H        PHE  23  -0.917  -3.301 -10.069
  167    HA   PHE  23           HA       PHE  23  -3.166  -4.326  -8.466
  168   1HB   PHE  23          1HB       PHE  23  -2.946  -1.967 -10.342
  169   2HB   PHE  23          1HB       PHE  23  -4.432  -2.436  -9.513
  170    HD1  PHE  23          1HD       PHE  23  -4.889  -1.537  -7.444
  171    HD2  PHE  23          2HD       PHE  23  -0.876  -1.655  -8.836
  172    HE1  PHE  23          1HE       PHE  23  -4.166  -0.303  -5.439
  173    HE2  PHE  23          2HE       PHE  23  -0.139  -0.421  -6.844
  174    HZ   PHE  23           HZ       PHE  23  -1.783   0.254  -5.147
  175    H    VAL  24           H        VAL  24  -4.320  -5.814  -9.086
  176    HA   VAL  24           HA       VAL  24  -4.759  -6.304 -11.939
  177    HB   VAL  24           HB       VAL  24  -4.842  -8.754 -10.841
  178   1HG1  VAL  24          1HG1      VAL  24  -3.525  -8.813 -12.661
  179   2HG1  VAL  24          2HG1      VAL  24  -2.220  -8.636 -11.489
  180   3HG1  VAL  24          3HG1      VAL  24  -2.857  -7.217 -12.320
  181   1HG2  VAL  24          1HG2      VAL  24  -4.259  -8.060  -8.673
  182   2HG2  VAL  24          2HG2      VAL  24  -2.800  -7.284  -9.287
  183   3HG2  VAL  24          3HG2      VAL  24  -2.965  -9.040  -9.357
  184    H    GLY  25           H        GLY  25  -6.621  -4.872 -10.401
  185   1HA   GLY  25          2HA       GLY  25  -8.976  -6.343 -10.878
  186   2HA   GLY  25          1HA       GLY  25  -8.675  -6.303  -9.156
  187    H    THR  26           H        THR  26 -10.967  -5.153 -10.105
  188    HA   THR  26           HA       THR  26 -10.474  -2.286 -10.328
  189    HB   THR  26           HB       THR  26 -11.942  -3.501 -11.932
  190    HG1  THR  26          1HG       THR  26 -12.421  -1.409 -11.898
  191   1HG2  THR  26          1HG2      THR  26 -14.174  -3.528 -10.006
  192   2HG2  THR  26          2HG2      THR  26 -13.002  -4.843  -9.905
  193   3HG2  THR  26          3HG2      THR  26 -13.864  -4.543 -11.414
  194    HA   PRO  27           HA       PRO  27 -11.835  -1.329  -6.243
  195   1HB   PRO  27          1HB       PRO  27 -12.839   1.148  -6.539
  196   2HB   PRO  27          1HB       PRO  27 -11.119   0.790  -6.716
  197   1HG   PRO  27          1HG       PRO  27 -13.187   1.241  -8.816
  198   2HG   PRO  27          1HG       PRO  27 -11.493   1.756  -8.780
  199   1HD   PRO  27          1HD       PRO  27 -12.448  -0.423 -10.167
  200   2HD   PRO  27          1HD       PRO  27 -10.767  -0.212  -9.666
  201    H    GLU  28           H        GLU  28 -13.435  -2.293  -5.217
  202    HA   GLU  28           HA       GLU  28 -16.184  -1.985  -6.211
  203   1HB   GLU  28          1HB       GLU  28 -16.794  -3.841  -4.806
  204   2HB   GLU  28          1HB       GLU  28 -15.351  -4.277  -5.711
  205   1HG   GLU  28          1HG       GLU  28 -13.971  -3.970  -3.820
  206   2HG   GLU  28          1HG       GLU  28 -15.286  -3.241  -2.899
  207    H    VAL  29           H        VAL  29 -17.343  -0.381  -5.416
  208    HA   VAL  29           HA       VAL  29 -16.664   0.596  -2.730
  209    HB   VAL  29           HB       VAL  29 -18.244   2.131  -4.739
  210   1HG1  VAL  29          1HG1      VAL  29 -16.518   3.070  -2.464
  211   2HG1  VAL  29          2HG1      VAL  29 -18.264   2.865  -2.371
  212   3HG1  VAL  29          3HG1      VAL  29 -17.573   4.053  -3.474
  213   1HG2  VAL  29          1HG2      VAL  29 -16.407   2.080  -6.037
  214   2HG2  VAL  29          2HG2      VAL  29 -15.380   1.508  -4.723
  215   3HG2  VAL  29          3HG2      VAL  29 -15.759   3.225  -4.865
  216    H    ASN  30           H        ASN  30 -18.074  -0.443  -1.191
  217    HA   ASN  30           HA       ASN  30 -20.828  -0.831  -1.835
  218   1HB   ASN  30          1HB       ASN  30 -19.336  -1.877   0.131
  219   2HB   ASN  30          1HB       ASN  30 -20.085  -0.560   1.029
  220   1HD2  ASN  30          1HD2      ASN  30 -22.048  -0.868   1.840
  221   2HD2  ASN  30          2HD2      ASN  30 -23.126  -2.138   1.399
  222    H    GLN  31           H        GLN  31 -22.614   0.245  -0.849
  223    HA   GLN  31           HA       GLN  31 -22.246   3.139  -0.816
  224   1HB   GLN  31          1HB       GLN  31 -24.759   1.475  -0.578
  225   2HB   GLN  31          1HB       GLN  31 -24.730   3.233  -0.684
  226   1HG   GLN  31          1HG       GLN  31 -23.590   1.439  -2.791
  227   2HG   GLN  31          1HG       GLN  31 -25.263   1.992  -2.798
  228   1HE2  GLN  31          1HE2      GLN  31 -21.911   3.051  -2.898
  229   2HE2  GLN  31          2HE2      GLN  31 -22.210   4.558  -3.688
  230    H    THR  32           H        THR  32 -22.189   0.637   1.372
  231    HA   THR  32           HA       THR  32 -22.630   2.482   3.591
  232    HB   THR  32           HB       THR  32 -24.265   0.224   2.667
  233    HG1  THR  32          1HG       THR  32 -25.088   2.278   2.795
  234   1HG2  THR  32          1HG2      THR  32 -23.294  -0.766   4.763
  235   2HG2  THR  32          2HG2      THR  32 -25.047  -0.601   4.716
  236   3HG2  THR  32          3HG2      THR  32 -24.081   0.545   5.645
  237    H    THR  33           H        THR  33 -20.280   1.264   2.452
  238    HA   THR  33           HA       THR  33 -19.412  -0.644   4.487
  239    HB   THR  33           HB       THR  33 -18.452  -1.297   2.488
  240    HG1  THR  33          1HG       THR  33 -16.310  -0.762   2.574
  241   1HG2  THR  33          1HG2      THR  33 -19.196   0.955   1.334
  242   2HG2  THR  33          2HG2      THR  33 -17.957  -0.075   0.633
  243   3HG2  THR  33          3HG2      THR  33 -17.498   1.332   1.586
  244    H    LEU  34           H        LEU  34 -18.565   2.442   2.955
  245    HA   LEU  34           HA       LEU  34 -17.634   4.280   4.046
  246   1HB   LEU  34          1HB       LEU  34 -17.485   2.360   6.267
  247   2HB   LEU  34          1HB       LEU  34 -16.150   3.447   6.141
  248    HG   LEU  34           HG       LEU  34 -19.048   4.228   6.370
  249   1HD1  LEU  34          1HD1      LEU  34 -17.361   5.148   8.499
  250   2HD1  LEU  34          2HD1      LEU  34 -17.219   3.397   8.344
  251   3HD1  LEU  34          3HD1      LEU  34 -18.803   4.135   8.581
  252   1HD2  LEU  34          1HD2      LEU  34 -16.865   6.175   6.798
  253   2HD2  LEU  34          2HD2      LEU  34 -18.453   6.397   6.065
  254   3HD2  LEU  34          3HD2      LEU  34 -17.140   5.669   5.125
  255    H    TYR  35           H        TYR  35 -16.485   1.199   3.293
  256    HA   TYR  35           HA       TYR  35 -13.976   2.284   2.292
  257   1HB   TYR  35          1HB       TYR  35 -12.976  -0.041   2.956
  258   2HB   TYR  35          1HB       TYR  35 -13.006   1.312   4.062
  259    HD1  TYR  35          1HD       TYR  35 -14.011  -2.050   3.520
  260    HD2  TYR  35          2HD       TYR  35 -14.815   1.476   5.728
  261    HE1  TYR  35          1HE       TYR  35 -15.206  -3.388   5.209
  262    HE2  TYR  35          2HE       TYR  35 -15.993   0.190   7.408
  263    HH   TYR  35           HH       TYR  35 -16.104  -3.353   7.297
  264    H    GLN  36           H        GLN  36 -12.868   1.007   0.733
  265    HA   GLN  36           HA       GLN  36 -14.722  -0.526  -0.962
  266   1HB   GLN  36          1HB       GLN  36 -12.475   1.370  -1.600
  267   2HB   GLN  36          1HB       GLN  36 -13.278   0.378  -2.816
  268   1HG   GLN  36          1HG       GLN  36 -15.141   1.652  -2.794
  269   2HG   GLN  36          1HG       GLN  36 -14.976   2.029  -1.083
  270   1HE2  GLN  36          1HE2      GLN  36 -12.820   3.318  -0.688
  271   2HE2  GLN  36          2HE2      GLN  36 -12.641   4.707  -1.698
  272    H    ARG  37           H        ARG  37 -13.193  -1.705  -2.757
  273    HA   ARG  37           HA       ARG  37 -10.899  -2.943  -1.434
  274   1HB   ARG  37          1HB       ARG  37 -13.285  -4.485  -2.405
  275   2HB   ARG  37          1HB       ARG  37 -11.735  -5.217  -2.069
  276   1HG   ARG  37          1HG       ARG  37 -12.081  -4.019   0.255
  277   2HG   ARG  37          1HG       ARG  37 -13.780  -4.152  -0.212
  278   1HD   ARG  37          1HD       ARG  37 -12.390  -6.607  -0.768
  279   2HD   ARG  37          1HD       ARG  37 -12.155  -6.137   0.906
  280    HE   ARG  37           HE       ARG  37 -14.533  -7.145  -0.255
  281   1HH1  ARG  37          1HH1      ARG  37 -13.384  -4.891   2.145
  282   2HH1  ARG  37          2HH1      ARG  37 -14.791  -5.041   3.142
  283   1HH2  ARG  37          1HH2      ARG  37 -16.383  -7.352   1.059
  284   2HH2  ARG  37          2HH2      ARG  37 -16.495  -6.438   2.526
  285    H    TYR  38           H        TYR  38  -9.350  -2.676  -2.789
  286    HA   TYR  38           HA       TYR  38  -9.742  -2.948  -5.720
  287   1HB   TYR  38          1HB       TYR  38  -7.730  -1.573  -4.024
  288   2HB   TYR  38          1HB       TYR  38  -7.074  -2.361  -5.448
  289    HD1  TYR  38          1HD       TYR  38  -8.011   0.690  -4.230
  290    HD2  TYR  38          2HD       TYR  38  -8.683  -1.774  -7.635
  291    HE1  TYR  38          1HE       TYR  38  -8.521   2.674  -5.542
  292    HE2  TYR  38          2HE       TYR  38  -9.202   0.226  -8.963
  293    HH   TYR  38           HH       TYR  38  -8.522   2.805  -8.761
  294    H    GLU  39           H        GLU  39  -8.617  -4.603  -6.894
  295    HA   GLU  39           HA       GLU  39  -7.465  -6.699  -5.216
  296   1HB   GLU  39          1HB       GLU  39  -9.234  -6.982  -7.199
  297   2HB   GLU  39          1HB       GLU  39  -7.766  -7.019  -8.161
  298   1HG   GLU  39          1HG       GLU  39  -7.707  -8.764  -5.820
  299   2HG   GLU  39          1HG       GLU  39  -8.926  -9.182  -7.025
  300    H    ILE  40           H        ILE  40  -5.363  -7.442  -5.527
  301    HA   ILE  40           HA       ILE  40  -3.783  -5.880  -7.428
  302    HB   ILE  40           HB       ILE  40  -1.965  -5.873  -5.570
  303   1HG1  ILE  40          1HG1      ILE  40  -3.978  -5.434  -3.530
  304   2HG1  ILE  40          1HG1      ILE  40  -4.059  -7.081  -4.143
  305   1HG2  ILE  40          1HG2      ILE  40  -4.261  -3.992  -5.149
  306   2HG2  ILE  40          2HG2      ILE  40  -3.271  -3.943  -6.606
  307   3HG2  ILE  40          3HG2      ILE  40  -2.531  -3.671  -5.030
  308   1HD1  ILE  40          1HD1      ILE  40  -1.347  -6.175  -3.587
  309   2HD1  ILE  40          2HD1      ILE  40  -2.168  -7.666  -3.127
  310   3HD1  ILE  40          3HD1      ILE  40  -2.401  -6.202  -2.173
  311    H    LYS  41           H        LYS  41  -1.458  -6.678  -7.344
  312    HA   LYS  41           HA       LYS  41  -1.360  -9.586  -7.264
  313   1HB   LYS  41          1HB       LYS  41  -1.161  -8.346  -9.608
  314   2HB   LYS  41          1HB       LYS  41   0.455  -8.003  -9.033
  315   1HG   LYS  41          1HG       LYS  41  -0.649 -10.786  -9.125
  316   2HG   LYS  41          1HG       LYS  41   0.185 -10.040 -10.491
  317   1HD   LYS  41          1HD       LYS  41   2.130  -9.624  -8.993
  318   2HD   LYS  41          1HD       LYS  41   1.299 -10.537  -7.732
  319   1HE   LYS  41          1HE       LYS  41   2.630 -12.167  -8.654
  320   2HE   LYS  41          1HE       LYS  41   1.145 -12.379  -9.580
  321   1HZ   LYS  41          1HZ       LYS  41   3.502 -12.170 -10.726
  322   2HZ   LYS  41          2HZ       LYS  41   3.130 -10.521 -10.647
  323   3HZ   LYS  41          3HZ       LYS  41   2.095 -11.583 -11.461
  324    H    MET  42           H        MET  42  -0.725  -9.183  -5.031
  325    HA   MET  42           HA       MET  42   1.320  -7.464  -4.282
  326   1HB   MET  42          1HB       MET  42  -0.250  -8.606  -2.718
  327   2HB   MET  42          1HB       MET  42   0.675 -10.086  -2.936
  328   1HG   MET  42          1HG       MET  42   2.209  -7.691  -2.159
  329   2HG   MET  42          1HG       MET  42   1.101  -8.338  -0.948
  330   1HE   MET  42          1HE       MET  42   1.864 -10.783   0.516
  331   2HE   MET  42          2HE       MET  42   2.232 -12.012  -0.685
  332   3HE   MET  42          3HE       MET  42   0.840 -10.954  -0.908
  333    H    THR  43           H        THR  43   3.411  -7.431  -4.692
  334    HA   THR  43           HA       THR  43   4.556  -9.724  -5.968
  335    HB   THR  43           HB       THR  43   6.587  -8.276  -6.208
  336    HG1  THR  43          1HG       THR  43   5.136  -6.030  -5.574
  337   1HG2  THR  43          1HG2      THR  43   5.783  -7.096  -8.000
  338   2HG2  THR  43          2HG2      THR  43   4.248  -6.732  -7.210
  339   3HG2  THR  43          3HG2      THR  43   4.562  -8.356  -7.821
  340    H    LYS  44           H        LYS  44   5.622  -7.698  -3.167
  341    HA   LYS  44           HA       LYS  44   6.308 -10.066  -1.672
  342   1HB   LYS  44          1HB       LYS  44   8.380  -8.365  -2.950
  343   2HB   LYS  44          1HB       LYS  44   8.662  -8.821  -1.277
  344   1HG   LYS  44          1HG       LYS  44   8.972 -11.018  -1.779
  345   2HG   LYS  44          1HG       LYS  44   7.897 -10.964  -3.179
  346   1HD   LYS  44          1HD       LYS  44   9.573 -10.467  -4.578
  347   2HD   LYS  44          1HD       LYS  44  10.238  -9.266  -3.473
  348   1HE   LYS  44          1HE       LYS  44  11.197 -11.159  -2.139
  349   2HE   LYS  44          1HE       LYS  44  10.707 -12.236  -3.447
  350   1HZ   LYS  44          1HZ       LYS  44  12.570 -11.722  -4.498
  351   2HZ   LYS  44          2HZ       LYS  44  13.016 -10.651  -3.268
  352   3HZ   LYS  44          3HZ       LYS  44  12.102 -10.098  -4.578
  353    H    MET  45           H        MET  45   6.766  -9.552   0.597
  354    HA   MET  45           HA       MET  45   5.489  -7.058   1.433
  355   1HB   MET  45          1HB       MET  45   5.124  -9.556   2.336
  356   2HB   MET  45          1HB       MET  45   6.440  -9.086   3.398
  357   1HG   MET  45          1HG       MET  45   4.918  -8.240   4.739
  358   2HG   MET  45          1HG       MET  45   4.698  -6.961   3.557
  359   1HE   MET  45          1HE       MET  45   2.065  -9.316   1.387
  360   2HE   MET  45          2HE       MET  45   3.771  -8.926   1.265
  361   3HE   MET  45          3HE       MET  45   2.570  -7.639   1.299
  362    H    TYR  46           H        TYR  46   6.558  -5.404   2.559
  363    HA   TYR  46           HA       TYR  46   9.421  -5.792   3.030
  364   1HB   TYR  46          1HB       TYR  46   7.808  -3.336   2.379
  365   2HB   TYR  46          1HB       TYR  46   9.410  -3.214   3.106
  366    HD1  TYR  46          1HD       TYR  46  10.905  -2.494   1.450
  367    HD2  TYR  46          2HD       TYR  46   8.046  -5.480   0.465
  368    HE1  TYR  46          1HE       TYR  46  11.954  -2.755  -0.749
  369    HE2  TYR  46          2HE       TYR  46   9.089  -5.754  -1.737
  370    HH   TYR  46           HH       TYR  46  10.851  -3.753  -3.210
  371    H    LYS  47           H        LYS  47   6.525  -4.241   4.399
  372    HA   LYS  47           HA       LYS  47   7.630  -4.790   7.080
  373   1HB   LYS  47          1HB       LYS  47   7.224  -2.302   6.272
  374   2HB   LYS  47          1HB       LYS  47   5.552  -2.684   6.671
  375   1HG   LYS  47          1HG       LYS  47   7.880  -2.923   8.566
  376   2HG   LYS  47          1HG       LYS  47   6.731  -1.584   8.521
  377   1HD   LYS  47          1HD       LYS  47   4.975  -3.540   8.749
  378   2HD   LYS  47          1HD       LYS  47   6.356  -4.390   9.444
  379   1HE   LYS  47          1HE       LYS  47   6.632  -2.247  10.876
  380   2HE   LYS  47          1HE       LYS  47   4.957  -1.933  10.423
  381   1HZ   LYS  47          1HZ       LYS  47   4.566  -3.152  12.261
  382   2HZ   LYS  47          2HZ       LYS  47   6.049  -3.961  12.196
  383   3HZ   LYS  47          3HZ       LYS  47   4.772  -4.458  11.205
  384    H    GLY  48           H        GLY  48   6.564  -6.428   7.945
  385   1HA   GLY  48          2HA       GLY  48   4.016  -6.654   8.753
  386   2HA   GLY  48          1HA       GLY  48   3.897  -7.160   7.076
  387    H    PHE  49           H        PHE  49   6.925  -8.069   7.982
  388    HA   PHE  49           HA       PHE  49   6.643 -10.708   7.754
  389   1HB   PHE  49          1HB       PHE  49   8.548  -9.604   9.798
  390   2HB   PHE  49          1HB       PHE  49   8.749 -11.022   8.777
  391    HD1  PHE  49          1HD       PHE  49   9.486  -7.596   9.187
  392    HD2  PHE  49          2HD       PHE  49   8.879 -10.591   6.223
  393    HE1  PHE  49          1HE       PHE  49  10.738  -6.239   7.563
  394    HE2  PHE  49          2HE       PHE  49  10.132  -9.234   4.593
  395    HZ   PHE  49           HZ       PHE  49  11.064  -7.058   5.264
  396    H    GLN  50           H        GLN  50   6.679  -9.109  10.964
  397    HA   GLN  50           HA       GLN  50   6.126 -11.395  12.457
  398   1HB   GLN  50          1HB       GLN  50   5.284  -9.858  14.201
  399   2HB   GLN  50          1HB       GLN  50   6.819  -9.339  13.523
  400   1HG   GLN  50          1HG       GLN  50   5.939  -7.482  12.578
  401   2HG   GLN  50          1HG       GLN  50   4.365  -8.230  12.303
  402   1HE2  GLN  50          1HE2      GLN  50   2.908  -8.396  14.064
  403   2HE2  GLN  50          2HE2      GLN  50   3.020  -7.318  15.410
  404    H    ALA  51           H        ALA  51   4.081  -9.493  10.439
  405    HA   ALA  51           HA       ALA  51   1.637 -10.753  11.425
  406   1HB   ALA  51          1HB       ALA  51   0.474  -9.053  10.481
  407   2HB   ALA  51          2HB       ALA  51   1.535  -8.966   9.076
  408   3HB   ALA  51          3HB       ALA  51   2.031  -8.234  10.601
  409    H    LEU  52           H        LEU  52   4.048 -11.352   9.196
  410    HA   LEU  52           HA       LEU  52   2.611 -12.385   7.037
  411   1HB   LEU  52          1HB       LEU  52   4.598 -12.689   6.050
  412   2HB   LEU  52          1HB       LEU  52   5.166 -11.677   7.355
  413    HG   LEU  52           HG       LEU  52   5.495 -14.119   8.485
  414   1HD1  LEU  52          1HD1      LEU  52   6.440 -14.678   5.726
  415   2HD1  LEU  52          2HD1      LEU  52   4.731 -14.941   6.077
  416   3HD1  LEU  52          3HD1      LEU  52   5.965 -15.793   7.007
  417   1HD2  LEU  52          1HD2      LEU  52   7.763 -13.572   6.796
  418   2HD2  LEU  52          2HD2      LEU  52   7.602 -13.414   8.544
  419   3HD2  LEU  52          3HD2      LEU  52   7.126 -12.090   7.490
  420    H    GLY  53           H        GLY  53   1.147 -13.464   8.672
  421   1HA   GLY  53          2HA       GLY  53   1.849 -15.944   9.874
  422   2HA   GLY  53          1HA       GLY  53   0.213 -15.498   9.363
  423    H    ASP  54           H        ASP  54   0.044 -15.245   7.008
  424    HA   ASP  54           HA       ASP  54   1.379 -17.372   5.501
  425   1HB   ASP  54          1HB       ASP  54  -1.571 -16.693   5.619
  426   2HB   ASP  54          1HB       ASP  54  -0.868 -17.550   4.250
  427    H    ALA  55           H        ALA  55   2.753 -15.933   4.558
  428    HA   ALA  55           HA       ALA  55   2.519 -13.359   3.858
  429   1HB   ALA  55          1HB       ALA  55   3.965 -15.564   2.447
  430   2HB   ALA  55          2HB       ALA  55   4.594 -14.361   3.573
  431   3HB   ALA  55          3HB       ALA  55   4.110 -13.879   1.947
  432    H    ALA  56           H        ALA  56   0.159 -15.268   2.808
  433    HA   ALA  56           HA       ALA  56  -0.152 -13.776   0.278
  434   1HB   ALA  56          1HB       ALA  56  -0.265 -15.792  -0.691
  435   2HB   ALA  56          2HB       ALA  56  -1.865 -15.919   0.040
  436   3HB   ALA  56          3HB       ALA  56  -0.465 -16.620   0.853
  437    H    ASP  57           H        ASP  57  -1.034 -13.296   3.169
  438    HA   ASP  57           HA       ASP  57  -3.919 -13.339   2.910
  439   1HB   ASP  57          1HB       ASP  57  -1.997 -13.045   5.074
  440   2HB   ASP  57          1HB       ASP  57  -3.302 -11.868   5.184
  441    H    ILE  58           H        ILE  58  -2.139 -11.581   1.177
  442    HA   ILE  58           HA       ILE  58  -3.633  -9.101   1.690
  443    HB   ILE  58           HB       ILE  58  -0.817  -9.015   0.675
  444   1HG1  ILE  58          1HG1      ILE  58  -0.477  -8.298   3.262
  445   2HG1  ILE  58          1HG1      ILE  58  -1.698  -9.553   3.436
  446   1HG2  ILE  58          1HG2      ILE  58  -2.643  -7.101   0.714
  447   2HG2  ILE  58          2HG2      ILE  58  -0.926  -6.778   0.973
  448   3HG2  ILE  58          3HG2      ILE  58  -2.018  -6.892   2.353
  449   1HD1  ILE  58          1HD1      ILE  58   0.739 -10.050   1.806
  450   2HD1  ILE  58          2HD1      ILE  58  -0.318 -11.199   2.614
  451   3HD1  ILE  58          3HD1      ILE  58   0.785 -10.199   3.561
  452    H    ARG  59           H        ARG  59  -5.020 -10.024  -0.190
  453    HA   ARG  59           HA       ARG  59  -3.556  -9.647  -2.678
  454   1HB   ARG  59          1HB       ARG  59  -6.002 -11.316  -2.147
  455   2HB   ARG  59          1HB       ARG  59  -5.077 -11.253  -3.640
  456   1HG   ARG  59          1HG       ARG  59  -3.126 -11.971  -1.981
  457   2HG   ARG  59          1HG       ARG  59  -4.501 -12.635  -1.096
  458   1HD   ARG  59          1HD       ARG  59  -3.449 -14.223  -2.693
  459   2HD   ARG  59          1HD       ARG  59  -5.167 -13.942  -2.971
  460    HE   ARG  59           HE       ARG  59  -3.399 -12.265  -4.518
  461   1HH1  ARG  59          1HH1      ARG  59  -5.164 -15.275  -4.418
  462   2HH1  ARG  59          2HH1      ARG  59  -5.218 -15.440  -6.141
  463   1HH2  ARG  59          1HH2      ARG  59  -3.472 -12.481  -6.778
  464   2HH2  ARG  59          2HH2      ARG  59  -4.256 -13.855  -7.482
  465    H    PHE  60           H        PHE  60  -5.677  -8.124  -0.765
  466    HA   PHE  60           HA       PHE  60  -6.695  -6.407  -2.831
  467   1HB   PHE  60          1HB       PHE  60  -8.449  -7.777  -0.767
  468   2HB   PHE  60          1HB       PHE  60  -8.967  -6.458  -1.805
  469    HD1  PHE  60          1HD       PHE  60  -9.877  -6.882  -3.889
  470    HD2  PHE  60          2HD       PHE  60  -7.743  -9.962  -1.874
  471    HE1  PHE  60          1HE       PHE  60 -10.638  -8.504  -5.573
  472    HE2  PHE  60          2HE       PHE  60  -8.494 -11.590  -3.559
  473    HZ   PHE  60           HZ       PHE  60  -9.945 -10.862  -5.411
  474    H    VAL  61           H        VAL  61  -7.203  -4.448  -2.123
  475    HA   VAL  61           HA       VAL  61  -6.022  -3.764   0.473
  476    HB   VAL  61           HB       VAL  61  -5.106  -1.922  -0.485
  477   1HG1  VAL  61          1HG1      VAL  61  -5.289  -3.862  -2.730
  478   2HG1  VAL  61          2HG1      VAL  61  -4.034  -3.751  -1.495
  479   3HG1  VAL  61          3HG1      VAL  61  -4.199  -2.476  -2.705
  480   1HG2  VAL  61          1HG2      VAL  61  -6.704  -0.567  -1.366
  481   2HG2  VAL  61          2HG2      VAL  61  -7.475  -1.896  -2.224
  482   3HG2  VAL  61          3HG2      VAL  61  -6.006  -1.167  -2.869
  483    H    TYR  62           H        TYR  62  -7.339  -2.881   1.990
  484    HA   TYR  62           HA       TYR  62  -9.981  -1.990   1.145
  485   1HB   TYR  62          1HB       TYR  62  -9.071  -2.795   3.903
  486   2HB   TYR  62          1HB       TYR  62 -10.720  -2.459   3.406
  487    HD1  TYR  62          1HD       TYR  62 -11.860  -4.430   3.721
  488    HD2  TYR  62          2HD       TYR  62  -8.112  -4.570   1.706
  489    HE1  TYR  62          1HE       TYR  62 -12.214  -6.808   3.220
  490    HE2  TYR  62          2HE       TYR  62  -8.458  -6.931   1.205
  491    HH   TYR  62           HH       TYR  62  -9.709  -8.792   1.818
  492    H    THR  63           H        THR  63 -10.053   0.072   0.827
  493    HA   THR  63           HA       THR  63  -9.043   1.948   2.883
  494    HB   THR  63           HB       THR  63  -8.042   2.885   0.990
  495    HG1  THR  63          1HG       THR  63 -10.689   3.809   0.732
  496   1HG2  THR  63          1HG2      THR  63  -8.437   2.284  -1.125
  497   2HG2  THR  63          2HG2      THR  63 -10.157   2.631  -0.988
  498   3HG2  THR  63          3HG2      THR  63  -9.525   1.074  -0.464
  499    HA   PRO  64           HA       PRO  64 -13.211   3.203   3.761
  500   1HB   PRO  64          1HB       PRO  64 -12.523   6.035   3.674
  501   2HB   PRO  64          1HB       PRO  64 -12.925   5.039   5.060
  502   1HG   PRO  64          1HG       PRO  64 -10.430   6.061   4.494
  503   2HG   PRO  64          1HG       PRO  64 -10.741   4.674   5.554
  504   1HD   PRO  64          1HD       PRO  64  -9.669   4.761   2.817
  505   2HD   PRO  64          1HD       PRO  64  -9.452   3.538   4.073
  506    H    ALA  65           H        ALA  65 -14.970   3.699   2.683
  507    HA   ALA  65           HA       ALA  65 -14.906   4.916   0.072
  508   1HB   ALA  65          1HB       ALA  65 -16.851   3.561  -0.456
  509   2HB   ALA  65          2HB       ALA  65 -16.812   2.912   1.182
  510   3HB   ALA  65          3HB       ALA  65 -15.487   2.584   0.078
  511    H    MET  66           H        MET  66 -15.298   7.086   0.787
  512    HA   MET  66           HA       MET  66 -18.126   7.616   1.103
  513   1HB   MET  66          1HB       MET  66 -17.763   9.328   2.871
  514   2HB   MET  66          1HB       MET  66 -17.485   7.681   3.411
  515   1HG   MET  66          1HG       MET  66 -15.720   8.748   4.366
  516   2HG   MET  66          1HG       MET  66 -15.006   8.235   2.848
  517   1HE   MET  66          1HE       MET  66 -16.047  12.358   4.337
  518   2HE   MET  66          2HE       MET  66 -16.788  10.819   4.780
  519   3HE   MET  66          3HE       MET  66 -17.375  11.708   3.375
  520    H    GLU  67           H        GLU  67 -18.523  10.100   0.866
  521    HA   GLU  67           HA       GLU  67 -17.476  10.894  -1.613
  522   1HB   GLU  67          1HB       GLU  67 -18.478  13.136  -1.061
  523   2HB   GLU  67          1HB       GLU  67 -19.585  11.777  -0.926
  524   1HG   GLU  67          1HG       GLU  67 -19.356  11.780   1.477
  525   2HG   GLU  67          1HG       GLU  67 -18.151  13.063   1.387
  526    H    SER  68           H        SER  68 -15.493  11.620  -2.103
  527    HA   SER  68           HA       SER  68 -13.429  12.594  -1.931
  528   1HB   SER  68          1HB       SER  68 -14.809  14.241   0.209
  529   2HB   SER  68          1HB       SER  68 -13.215  14.593  -0.460
  530    HG   SER  68           HG       SER  68 -15.410  15.504  -1.379
  531    H    VAL  69           H        VAL  69 -13.747  10.231  -0.771
  532    HA   VAL  69           HA       VAL  69 -12.819  10.205   1.959
  533    HB   VAL  69           HB       VAL  69 -14.495   8.631   1.091
  534   1HG1  VAL  69          1HG1      VAL  69 -13.193   6.626  -0.165
  535   2HG1  VAL  69          2HG1      VAL  69 -12.353   8.028  -0.823
  536   3HG1  VAL  69          3HG1      VAL  69 -14.102   7.887  -0.992
  537   1HG2  VAL  69          1HG2      VAL  69 -12.093   7.046   1.893
  538   2HG2  VAL  69          2HG2      VAL  69 -13.788   6.789   2.309
  539   3HG2  VAL  69          3HG2      VAL  69 -12.902   8.136   3.021
  540    H    CYS  70           H        CYS  70 -11.094   8.683   2.574
  541    HA   CYS  70           HA       CYS  70  -8.720   9.064   0.910
  542   1HB   CYS  70          1HB       CYS  70  -9.121   8.208   3.796
  543   2HB   CYS  70          1HB       CYS  70  -7.564   8.159   2.988
  544    H    GLY  71           H        GLY  71  -9.800   7.666  -0.489
  545   1HA   GLY  71          2HA       GLY  71 -10.069   4.896   0.050
  546   2HA   GLY  71          1HA       GLY  71 -10.321   5.681  -1.489
  547    H    TYR  72           H        TYR  72  -8.864   5.574  -2.942
  548    HA   TYR  72           HA       TYR  72  -6.092   5.271  -2.492
  549   1HB   TYR  72          1HB       TYR  72  -7.031   2.983  -1.956
  550   2HB   TYR  72          1HB       TYR  72  -7.398   2.830  -3.671
  551    HD1  TYR  72          1HD       TYR  72  -4.797   2.925  -1.136
  552    HD2  TYR  72          2HD       TYR  72  -5.584   2.612  -5.299
  553    HE1  TYR  72          1HE       TYR  72  -2.505   2.132  -1.496
  554    HE2  TYR  72          2HE       TYR  72  -3.293   1.820  -5.680
  555    HH   TYR  72           HH       TYR  72  -1.067   1.979  -4.523
  556    H    PHE  73           H        PHE  73  -6.174   7.054  -3.906
  557    HA   PHE  73           HA       PHE  73  -7.380   7.004  -6.410
  558   1HB   PHE  73          1HB       PHE  73  -5.365   8.689  -5.067
  559   2HB   PHE  73          1HB       PHE  73  -5.319   8.736  -6.823
  560    HD1  PHE  73          1HD       PHE  73  -8.200   8.506  -4.459
  561    HD2  PHE  73          2HD       PHE  73  -6.191  10.743  -7.470
  562    HE1  PHE  73          1HE       PHE  73 -10.035  10.148  -4.459
  563    HE2  PHE  73          2HE       PHE  73  -8.017  12.385  -7.479
  564    HZ   PHE  73           HZ       PHE  73  -9.944  12.093  -5.970
  565    H    HIS  74           H        HIS  74  -6.919   4.976  -7.252
  566    HA   HIS  74           HA       HIS  74  -4.194   4.491  -8.182
  567   1HB   HIS  74          1HB       HIS  74  -5.143   2.561  -7.263
  568   2HB   HIS  74          1HB       HIS  74  -6.713   2.869  -7.985
  569    HD1  HIS  74          1HD       HIS  74  -3.481   1.186  -8.588
  570    HD2  HIS  74          2HD       HIS  74  -6.923   2.097 -10.727
  571    HE1  HIS  74          1HE       HIS  74  -3.401  -0.256 -10.640
  572    HE2  HIS  74          2HE       HIS  74  -5.557   0.208 -11.847
  573    H    ARG  75           H        ARG  75  -3.833   5.856  -9.852
  574    HA   ARG  75           HA       ARG  75  -5.636   5.666 -12.177
  575   1HB   ARG  75          1HB       ARG  75  -4.570   7.981 -12.737
  576   2HB   ARG  75          1HB       ARG  75  -5.869   7.892 -11.558
  577   1HG   ARG  75          1HG       ARG  75  -4.145   7.869  -9.757
  578   2HG   ARG  75          1HG       ARG  75  -2.921   8.138 -10.997
  579   1HD   ARG  75          1HD       ARG  75  -3.618  10.217  -9.852
  580   2HD   ARG  75          1HD       ARG  75  -3.912  10.253 -11.589
  581    HE   ARG  75           HE       ARG  75  -6.281   9.439 -10.627
  582   1HH1  ARG  75          1HH1      ARG  75  -4.183  12.074  -9.704
  583   2HH1  ARG  75          2HH1      ARG  75  -5.486  13.094  -9.194
  584   1HH2  ARG  75          1HH2      ARG  75  -7.992  10.783  -9.960
  585   2HH2  ARG  75          2HH2      ARG  75  -7.646  12.365  -9.349
  586    H    SER  76           H        SER  76  -3.765   3.773 -11.907
  587    HA   SER  76           HA       SER  76  -1.505   4.595 -13.600
  588   1HB   SER  76          1HB       SER  76  -1.638   2.008 -12.074
  589   2HB   SER  76          1HB       SER  76  -0.215   2.915 -12.585
  590    HG   SER  76           HG       SER  76  -1.782   3.201 -10.341
  591    H    HIS  77           H        HIS  77  -1.874   4.169 -15.711
  592    HA   HIS  77           HA       HIS  77  -3.732   2.406 -16.791
  593   1HB   HIS  77          1HB       HIS  77  -1.842   2.321 -18.726
  594   2HB   HIS  77          1HB       HIS  77  -2.917   3.692 -18.497
  595    HD1  HIS  77          1HD       HIS  77  -1.801   5.894 -18.253
  596    HD2  HIS  77          2HD       HIS  77   0.788   2.761 -17.395
  597    HE1  HIS  77          1HE       HIS  77   0.443   6.958 -17.864
  598    HE2  HIS  77          2HE       HIS  77   1.946   5.058 -17.182
  599    H    ASN  78           H        ASN  78  -0.292   1.916 -16.446
  600    HA   ASN  78           HA       ASN  78  -0.307  -0.843 -17.012
  601   1HB   ASN  78          1HB       ASN  78   1.648   0.952 -16.965
  602   2HB   ASN  78          1HB       ASN  78   1.875   0.315 -15.341
  603   1HD2  ASN  78          1HD2      ASN  78   0.959  -1.214 -18.406
  604   2HD2  ASN  78          2HD2      ASN  78   2.240  -2.373 -18.410
  605    H    ARG  79           H        ARG  79  -1.353  -2.277 -15.802
  606    HA   ARG  79           HA       ARG  79  -1.584  -1.923 -12.940
  607   1HB   ARG  79          1HB       ARG  79  -3.181  -3.792 -13.109
  608   2HB   ARG  79          1HB       ARG  79  -3.574  -2.489 -14.208
  609   1HG   ARG  79          1HG       ARG  79  -1.920  -4.721 -15.247
  610   2HG   ARG  79          1HG       ARG  79  -3.632  -5.023 -14.945
  611   1HD   ARG  79          1HD       ARG  79  -4.219  -3.920 -16.785
  612   2HD   ARG  79          1HD       ARG  79  -3.274  -2.511 -16.305
  613    HE   ARG  79           HE       ARG  79  -1.622  -3.177 -17.736
  614   1HH1  ARG  79          1HH1      ARG  79  -3.789  -5.858 -17.193
  615   2HH1  ARG  79          2HH1      ARG  79  -3.028  -6.874 -18.370
  616   1HH2  ARG  79          1HH2      ARG  79  -0.617  -4.513 -19.282
  617   2HH2  ARG  79          2HH2      ARG  79  -1.226  -6.111 -19.556
  618    H    SER  80           H        SER  80   0.059  -3.983 -15.247
  619    HA   SER  80           HA       SER  80   0.963  -5.899 -13.257
  620   1HB   SER  80          1HB       SER  80   2.331  -6.762 -15.152
  621   2HB   SER  80          1HB       SER  80   0.628  -6.626 -15.585
  622    HG   SER  80           HG       SER  80   1.520  -4.359 -16.297
  623    H    GLU  81           H        GLU  81   1.651  -2.768 -13.922
  624    HA   GLU  81           HA       GLU  81   4.521  -2.791 -13.644
  625   1HB   GLU  81          1HB       GLU  81   2.923  -0.869 -14.466
  626   2HB   GLU  81          1HB       GLU  81   2.835  -0.476 -12.758
  627   1HG   GLU  81          1HG       GLU  81   5.410  -0.712 -14.290
  628   2HG   GLU  81          1HG       GLU  81   4.545   0.805 -14.043
  629    H    GLU  82           H        GLU  82   5.699  -2.791 -11.703
  630    HA   GLU  82           HA       GLU  82   4.357  -3.625  -9.318
  631   1HB   GLU  82          1HB       GLU  82   6.417  -4.677  -9.853
  632   2HB   GLU  82          1HB       GLU  82   7.227  -3.137 -10.078
  633   1HG   GLU  82          1HG       GLU  82   6.455  -2.977  -7.468
  634   2HG   GLU  82          1HG       GLU  82   6.791  -4.699  -7.653
  635    H    PHE  83           H        PHE  83   3.837  -2.479  -7.604
  636    HA   PHE  83           HA       PHE  83   4.655   0.342  -7.442
  637   1HB   PHE  83          1HB       PHE  83   2.015  -0.954  -7.192
  638   2HB   PHE  83          1HB       PHE  83   2.338   0.368  -6.079
  639    HD1  PHE  83          1HD       PHE  83   0.277   1.255  -7.389
  640    HD2  PHE  83          2HD       PHE  83   4.152   0.833  -9.097
  641    HE1  PHE  83          1HE       PHE  83  -0.314   2.869  -9.129
  642    HE2  PHE  83          2HE       PHE  83   3.562   2.444 -10.845
  643    HZ   PHE  83           HZ       PHE  83   1.326   3.468 -10.869
  644    H    LEU  84           H        LEU  84   4.001   1.277  -5.261
  645    HA   LEU  84           HA       LEU  84   5.172  -0.366  -3.086
  646   1HB   LEU  84          1HB       LEU  84   6.641   1.539  -3.885
  647   2HB   LEU  84          1HB       LEU  84   5.434   2.633  -3.246
  648    HG   LEU  84           HG       LEU  84   7.492   2.149  -1.806
  649   1HD1  LEU  84          1HD1      LEU  84   6.166   2.216   0.261
  650   2HD1  LEU  84          2HD1      LEU  84   4.723   1.818  -0.668
  651   3HD1  LEU  84          3HD1      LEU  84   5.568   3.335  -0.963
  652   1HD2  LEU  84          1HD2      LEU  84   7.397  -0.319  -2.137
  653   2HD2  LEU  84          2HD2      LEU  84   5.941  -0.346  -1.142
  654   3HD2  LEU  84          3HD2      LEU  84   7.473   0.185  -0.449
  655    H    ILE  85           H        ILE  85   3.891  -0.717  -1.409
  656    HA   ILE  85           HA       ILE  85   1.649   1.165  -1.007
  657    HB   ILE  85           HB       ILE  85   1.605  -1.857  -0.917
  658   1HG1  ILE  85          1HG1      ILE  85  -0.102  -0.052  -2.621
  659   2HG1  ILE  85          1HG1      ILE  85   1.538  -0.454  -3.114
  660   1HG2  ILE  85          1HG2      ILE  85  -1.021  -0.827  -0.765
  661   2HG2  ILE  85          2HG2      ILE  85  -0.085   0.033   0.458
  662   3HG2  ILE  85          3HG2      ILE  85  -0.146  -1.730   0.472
  663   1HD1  ILE  85          1HD1      ILE  85  -0.885  -2.139  -3.016
  664   2HD1  ILE  85          2HD1      ILE  85   0.657  -2.911  -2.641
  665   3HD1  ILE  85          3HD1      ILE  85   0.430  -2.098  -4.190
  666    H    ALA  86           H        ALA  86   1.883   2.152   0.778
  667    HA   ALA  86           HA       ALA  86   2.802   0.820   3.281
  668   1HB   ALA  86          1HB       ALA  86   3.939   3.003   2.639
  669   2HB   ALA  86          2HB       ALA  86   3.230   2.952   4.252
  670   3HB   ALA  86          3HB       ALA  86   2.393   3.793   2.950
  671    H    GLY  87           H        GLY  87   1.126   0.002   4.364
  672   1HA   GLY  87          2HA       GLY  87  -1.153   1.580   5.106
  673   2HA   GLY  87          1HA       GLY  87  -1.568   0.331   3.942
  674    H    LYS  88           H        LYS  88  -2.239   0.735   6.874
  675    HA   LYS  88           HA       LYS  88  -0.997  -1.378   8.330
  676   1HB   LYS  88          1HB       LYS  88  -3.117   0.636   8.841
  677   2HB   LYS  88          1HB       LYS  88  -3.202  -0.835   9.796
  678   1HG   LYS  88          1HG       LYS  88  -1.588  -0.129  11.134
  679   2HG   LYS  88          1HG       LYS  88  -0.522   0.166   9.769
  680   1HD   LYS  88          1HD       LYS  88  -0.684   2.263  10.700
  681   2HD   LYS  88          1HD       LYS  88  -1.932   2.318   9.453
  682   1HE   LYS  88          1HE       LYS  88  -2.852   3.248  11.455
  683   2HE   LYS  88          1HE       LYS  88  -3.596   1.671  11.194
  684   1HZ   LYS  88          1HZ       LYS  88  -2.101   0.720  12.824
  685   2HZ   LYS  88          2HZ       LYS  88  -2.961   2.005  13.510
  686   3HZ   LYS  88          3HZ       LYS  88  -1.345   2.217  13.054
  687    H    LEU  89           H        LEU  89  -2.577  -2.991   9.529
  688    HA   LEU  89           HA       LEU  89  -4.308  -4.255   7.503
  689   1HB   LEU  89          1HB       LEU  89  -2.268  -5.367   9.342
  690   2HB   LEU  89          1HB       LEU  89  -3.721  -6.320   9.130
  691    HG   LEU  89           HG       LEU  89  -1.737  -5.532   7.010
  692   1HD1  LEU  89          1HD1      LEU  89  -1.416  -7.500   8.683
  693   2HD1  LEU  89          2HD1      LEU  89  -1.112  -7.758   6.966
  694   3HD1  LEU  89          3HD1      LEU  89  -2.631  -8.300   7.685
  695   1HD2  LEU  89          1HD2      LEU  89  -4.007  -7.330   6.399
  696   2HD2  LEU  89          2HD2      LEU  89  -3.131  -6.215   5.350
  697   3HD2  LEU  89          3HD2      LEU  89  -4.329  -5.604   6.480
  698    H    GLN  90           H        GLN  90  -6.384  -4.352   8.018
  699    HA   GLN  90           HA       GLN  90  -7.185  -4.136  10.835
  700   1HB   GLN  90          1HB       GLN  90  -8.072  -2.581   8.949
  701   2HB   GLN  90          1HB       GLN  90  -9.100  -3.948   8.535
  702   1HG   GLN  90          1HG       GLN  90  -9.162  -3.362  11.370
  703   2HG   GLN  90          1HG       GLN  90  -9.632  -1.972  10.393
  704   1HE2  GLN  90          1HE2      GLN  90 -10.795  -4.573  11.968
  705   2HE2  GLN  90          2HE2      GLN  90 -12.251  -4.840  11.079
  706    H    ASP  91           H        ASP  91  -7.589  -5.951  11.827
  707    HA   ASP  91           HA       ASP  91  -7.938  -8.202  12.171
  708   1HB   ASP  91          1HB       ASP  91 -10.376  -6.887  11.150
  709   2HB   ASP  91          1HB       ASP  91 -10.430  -8.645  11.251
  710    H    GLY  92           H        GLY  92  -6.470  -7.933   9.679
  711   1HA   GLY  92          2HA       GLY  92  -5.860 -10.028   8.557
  712   2HA   GLY  92          1HA       GLY  92  -7.566 -10.353   8.380
  713    H    LEU  93           H        LEU  93  -7.476  -7.237   7.726
  714    HA   LEU  93           HA       LEU  93  -7.039  -7.690   4.849
  715   1HB   LEU  93          1HB       LEU  93  -9.050  -5.868   6.173
  716   2HB   LEU  93          1HB       LEU  93  -8.829  -6.059   4.446
  717    HG   LEU  93           HG       LEU  93 -10.737  -7.311   4.961
  718   1HD1  LEU  93          1HD1      LEU  93  -8.551  -8.525   3.885
  719   2HD1  LEU  93          2HD1      LEU  93 -10.183  -9.192   3.907
  720   3HD1  LEU  93          3HD1      LEU  93  -9.023  -9.661   5.148
  721   1HD2  LEU  93          1HD2      LEU  93  -9.379  -7.799   7.479
  722   2HD2  LEU  93          2HD2      LEU  93 -10.148  -9.243   6.828
  723   3HD2  LEU  93          3HD2      LEU  93 -11.099  -7.785   7.103
  724    H    LEU  94           H        LEU  94  -6.013  -6.172   3.657
  725    HA   LEU  94           HA       LEU  94  -4.288  -4.378   5.011
  726   1HB   LEU  94          1HB       LEU  94  -3.696  -5.444   2.872
  727   2HB   LEU  94          1HB       LEU  94  -4.973  -4.544   2.076
  728    HG   LEU  94           HG       LEU  94  -3.810  -2.445   2.513
  729   1HD1  LEU  94          1HD1      LEU  94  -2.051  -2.189   3.886
  730   2HD1  LEU  94          2HD1      LEU  94  -1.327  -3.724   3.412
  731   3HD1  LEU  94          3HD1      LEU  94  -2.628  -3.696   4.599
  732   1HD2  LEU  94          1HD2      LEU  94  -2.830  -4.572   0.858
  733   2HD2  LEU  94          2HD2      LEU  94  -1.487  -3.563   1.397
  734   3HD2  LEU  94          3HD2      LEU  94  -2.852  -2.837   0.551
  735    H    HIS  95           H        HIS  95  -4.233  -2.084   4.806
  736    HA   HIS  95           HA       HIS  95  -6.697  -0.813   3.943
  737   1HB   HIS  95          1HB       HIS  95  -5.696  -0.748   6.766
  738   2HB   HIS  95          1HB       HIS  95  -6.557   0.638   6.103
  739    HD1  HIS  95          1HD       HIS  95  -9.012   0.570   6.408
  740    HD2  HIS  95          2HD       HIS  95  -7.340  -3.230   6.443
  741    HE1  HIS  95          1HE       HIS  95 -10.919  -1.000   6.886
  742    HE2  HIS  95          2HE       HIS  95  -9.895  -3.300   6.824
  743    H    ILE  96           H        ILE  96  -6.450   1.238   3.201
  744    HA   ILE  96           HA       ILE  96  -3.918   2.596   3.576
  745    HB   ILE  96           HB       ILE  96  -3.629   2.827   1.054
  746   1HG1  ILE  96          1HG1      ILE  96  -5.876   1.759   0.563
  747   2HG1  ILE  96          1HG1      ILE  96  -4.517   1.145  -0.370
  748   1HG2  ILE  96          1HG2      ILE  96  -3.087   0.152   2.324
  749   2HG2  ILE  96          2HG2      ILE  96  -2.100   1.603   2.507
  750   3HG2  ILE  96          3HG2      ILE  96  -2.254   0.835   0.927
  751   1HD1  ILE  96          1HD1      ILE  96  -5.954  -0.650   0.330
  752   2HD1  ILE  96          2HD1      ILE  96  -5.768  -0.191   2.009
  753   3HD1  ILE  96          3HD1      ILE  96  -4.379  -0.791   1.106
  754    H    THR  97           H        THR  97  -3.838   4.615   2.229
  755    HA   THR  97           HA       THR  97  -6.427   5.729   1.514
  756    HB   THR  97           HB       THR  97  -5.849   7.714   3.093
  757    HG1  THR  97          1HG       THR  97  -3.776   6.877   3.656
  758   1HG2  THR  97          1HG2      THR  97  -7.744   6.130   3.468
  759   2HG2  THR  97          2HG2      THR  97  -7.051   6.808   4.936
  760   3HG2  THR  97          3HG2      THR  97  -6.658   5.158   4.453
  761    H    THR  98           H        THR  98  -6.269   7.715   0.376
  762    HA   THR  98           HA       THR  98  -3.974   7.974  -1.268
  763    HB   THR  98           HB       THR  98  -5.106   9.715  -2.360
  764    HG1  THR  98          1HG       THR  98  -5.843  11.232  -1.127
  765   1HG2  THR  98          1HG2      THR  98  -7.599   8.572  -1.339
  766   2HG2  THR  98          2HG2      THR  98  -6.417   7.406  -1.936
  767   3HG2  THR  98          3HG2      THR  98  -6.989   8.701  -2.989
  768    H    CYS  99           H        CYS  99  -4.286   8.723   1.842
  769    HA   CYS  99           HA       CYS  99  -2.369  10.940   1.709
  770   1HB   CYS  99          1HB       CYS  99  -3.780  12.146   2.912
  771   2HB   CYS  99          1HB       CYS  99  -4.899  10.806   3.033
  772    H    SER 100           H        SER 100  -2.206   7.947   1.785
  773    HA   SER 100           HA       SER 100  -0.381   7.665   4.090
  774   1HB   SER 100          1HB       SER 100  -2.381   5.836   2.922
  775   2HB   SER 100          1HB       SER 100  -0.799   5.103   3.167
  776    HG   SER 100           HG       SER 100  -1.393   4.918   5.165
  777    H    PHE 101           H        PHE 101   1.698   6.580   3.560
  778    HA   PHE 101           HA       PHE 101   2.766   7.487   1.164
  779   1HB   PHE 101          1HB       PHE 101   4.051   6.830   3.209
  780   2HB   PHE 101          1HB       PHE 101   3.896   5.158   2.679
  781    HD1  PHE 101          1HD       PHE 101   5.546   8.335   2.169
  782    HD2  PHE 101          2HD       PHE 101   4.980   4.426   0.586
  783    HE1  PHE 101          1HE       PHE 101   7.507   8.644   0.716
  784    HE2  PHE 101          2HE       PHE 101   6.946   4.728  -0.868
  785    HZ   PHE 101           HZ       PHE 101   8.212   6.838  -0.801
  786    H    VAL 102           H        VAL 102   1.914   6.854  -0.804
  787    HA   VAL 102           HA       VAL 102   2.106   4.009  -1.464
  788    HB   VAL 102           HB       VAL 102  -0.419   5.590  -1.946
  789   1HG1  VAL 102          1HG1      VAL 102  -0.766   4.098  -3.557
  790   2HG1  VAL 102          2HG1      VAL 102  -0.925   2.891  -2.281
  791   3HG1  VAL 102          3HG1      VAL 102   0.631   3.137  -3.067
  792   1HG2  VAL 102          1HG2      VAL 102  -1.384   3.827  -0.378
  793   2HG2  VAL 102          2HG2      VAL 102  -0.417   5.111   0.348
  794   3HG2  VAL 102          3HG2      VAL 102   0.284   3.511   0.102
  795    H    ALA 103           H        ALA 103   3.584   4.184  -3.100
  796    HA   ALA 103           HA       ALA 103   2.702   5.453  -5.565
  797   1HB   ALA 103          1HB       ALA 103   4.970   6.557  -3.961
  798   2HB   ALA 103          2HB       ALA 103   3.637   7.405  -4.743
  799   3HB   ALA 103          3HB       ALA 103   4.940   6.725  -5.715
  800    HA   PRO 104           HA       PRO 104   5.040   2.474  -7.859
  801   1HB   PRO 104          1HB       PRO 104   6.687   4.667  -9.003
  802   2HB   PRO 104          1HB       PRO 104   5.830   3.359  -9.827
  803   1HG   PRO 104          1HG       PRO 104   4.808   5.813  -9.837
  804   2HG   PRO 104          1HG       PRO 104   3.738   4.422  -9.565
  805   1HD   PRO 104          1HD       PRO 104   4.838   6.383  -7.581
  806   2HD   PRO 104          1HD       PRO 104   3.220   5.656  -7.664
  807    H    TRP 105           H        TRP 105   6.509   1.183  -6.999
  808    HA   TRP 105           HA       TRP 105   8.699   1.854  -5.430
  809   1HB   TRP 105          1HB       TRP 105   7.811  -0.458  -6.013
  810   2HB   TRP 105          1HB       TRP 105   8.605  -0.305  -7.548
  811    HD1  TRP 105           HD       TRP 105  10.790  -1.517  -7.634
  812    HE1  TRP 105          1HE       TRP 105  12.601  -2.177  -5.962
  813    HE3  TRP 105          3HE       TRP 105   8.834   0.625  -3.420
  814    HZ2  TRP 105          2HZ       TRP 105  13.147  -1.855  -3.204
  815    HZ3  TRP 105          3HZ       TRP 105  10.085   0.401  -1.299
  816    HH2  TRP 105           HH       TRP 105  12.191  -0.808  -1.231
  817    H    ASN 106           H        ASN 106   8.359   1.223  -8.809
  818    HA   ASN 106           HA       ASN 106  10.834   1.776  -9.684
  819   1HB   ASN 106          1HB       ASN 106   8.227   1.874 -11.116
  820   2HB   ASN 106          1HB       ASN 106   9.751   2.123 -11.962
  821   1HD2  ASN 106          1HD2      ASN 106   7.831  -0.154 -10.130
  822   2HD2  ASN 106          2HD2      ASN 106   8.642  -1.576 -10.680
  823    H    SER 107           H        SER 107   9.684   3.996  -8.046
  824    HA   SER 107           HA       SER 107  10.636   6.164  -9.757
  825   1HB   SER 107          1HB       SER 107   8.116   6.262  -9.428
  826   2HB   SER 107          1HB       SER 107   8.444   6.575  -7.724
  827    HG   SER 107           HG       SER 107   9.046   8.546  -8.197
  828    H    LEU 108           H        LEU 108  10.855   4.457  -7.031
  829    HA   LEU 108           HA       LEU 108  11.910   6.322  -5.178
  830   1HB   LEU 108          1HB       LEU 108  11.406   3.459  -5.371
  831   2HB   LEU 108          1HB       LEU 108  12.688   3.900  -4.264
  832    HG   LEU 108           HG       LEU 108  11.136   5.320  -3.012
  833   1HD1  LEU 108          1HD1      LEU 108   9.700   6.087  -4.759
  834   2HD1  LEU 108          2HD1      LEU 108   8.718   5.235  -3.567
  835   3HD1  LEU 108          3HD1      LEU 108   9.140   4.447  -5.088
  836   1HD2  LEU 108          1HD2      LEU 108  10.024   3.621  -1.903
  837   2HD2  LEU 108          2HD2      LEU 108  11.335   2.759  -2.708
  838   3HD2  LEU 108          3HD2      LEU 108   9.708   2.719  -3.385
  839    H    SER 109           H        SER 109  13.932   5.804  -4.082
  840    HA   SER 109           HA       SER 109  16.177   5.939  -5.966
  841   1HB   SER 109          1HB       SER 109  16.626   5.905  -3.017
  842   2HB   SER 109          1HB       SER 109  17.435   6.845  -4.257
  843    HG   SER 109           HG       SER 109  14.765   7.467  -3.868
  844    H    LEU 110           H        LEU 110  16.850   4.136  -6.682
  845    HA   LEU 110           HA       LEU 110  16.553   1.593  -6.052
  846   1HB   LEU 110          1HB       LEU 110  18.671   1.131  -7.034
  847   2HB   LEU 110          1HB       LEU 110  18.038   2.569  -7.799
  848    HG   LEU 110           HG       LEU 110  20.286   3.012  -7.483
  849   1HD1  LEU 110          1HD1      LEU 110  18.456   4.534  -5.994
  850   2HD1  LEU 110          2HD1      LEU 110  19.912   5.046  -6.831
  851   3HD1  LEU 110          3HD1      LEU 110  20.003   4.505  -5.156
  852   1HD2  LEU 110          1HD2      LEU 110  20.082   1.257  -5.291
  853   2HD2  LEU 110          2HD2      LEU 110  20.809   2.765  -4.733
  854   3HD2  LEU 110          3HD2      LEU 110  21.534   1.878  -6.073
  855    H    ALA 111           H        ALA 111  18.500   3.840  -4.154
  856    HA   ALA 111           HA       ALA 111  19.524   1.757  -2.476
  857   1HB   ALA 111          1HB       ALA 111  19.658   4.573  -1.590
  858   2HB   ALA 111          2HB       ALA 111  20.535   4.145  -3.065
  859   3HB   ALA 111          3HB       ALA 111  20.899   3.315  -1.546
  860    H    GLN 112           H        GLN 112  16.969   4.115  -2.544
  861    HA   GLN 112           HA       GLN 112  16.087   3.523   0.126
  862   1HB   GLN 112          1HB       GLN 112  15.937   5.818  -0.716
  863   2HB   GLN 112          1HB       GLN 112  14.998   5.263  -2.096
  864   1HG   GLN 112          1HG       GLN 112  13.171   4.662  -0.680
  865   2HG   GLN 112          1HG       GLN 112  14.115   5.040   0.758
  866   1HE2  GLN 112          1HE2      GLN 112  13.046   6.547  -2.271
  867   2HE2  GLN 112          2HE2      GLN 112  12.709   8.097  -1.587
  868    H    ARG 113           H        ARG 113  15.965   2.190  -2.880
  869    HA   ARG 113           HA       ARG 113  13.340   1.014  -2.592
  870   1HB   ARG 113          1HB       ARG 113  15.589   0.841  -4.528
  871   2HB   ARG 113          1HB       ARG 113  14.520  -0.553  -4.403
  872   1HG   ARG 113          1HG       ARG 113  12.601   1.027  -4.786
  873   2HG   ARG 113          1HG       ARG 113  13.804   2.258  -5.182
  874   1HD   ARG 113          1HD       ARG 113  14.702   0.327  -6.741
  875   2HD   ARG 113          1HD       ARG 113  13.011  -0.181  -6.653
  876    HE   ARG 113           HE       ARG 113  12.623   2.296  -7.335
  877   1HH1  ARG 113          1HH1      ARG 113  15.159   0.193  -8.502
  878   2HH1  ARG 113          2HH1      ARG 113  15.304   1.013 -10.019
  879   1HH2  ARG 113          1HH2      ARG 113  12.813   3.362  -9.331
  880   2HH2  ARG 113          2HH2      ARG 113  13.974   2.808 -10.491
  881    H    ARG 114           H        ARG 114  16.727   0.575  -1.968
  882    HA   ARG 114           HA       ARG 114  16.510  -2.075  -0.922
  883   1HB   ARG 114          1HB       ARG 114  18.588  -0.311  -1.562
  884   2HB   ARG 114          1HB       ARG 114  18.670  -0.480   0.188
  885   1HG   ARG 114          1HG       ARG 114  18.349  -3.008  -1.242
  886   2HG   ARG 114          1HG       ARG 114  19.846  -2.149  -1.608
  887   1HD   ARG 114          1HD       ARG 114  20.169  -1.886   0.862
  888   2HD   ARG 114          1HD       ARG 114  18.822  -3.004   1.089
  889    HE   ARG 114           HE       ARG 114  20.220  -4.734   0.543
  890   1HH1  ARG 114          1HH1      ARG 114  21.692  -1.742  -0.478
  891   2HH1  ARG 114          2HH1      ARG 114  23.210  -2.477  -0.870
  892   1HH2  ARG 114          1HH2      ARG 114  22.221  -5.704   0.038
  893   2HH2  ARG 114          2HH2      ARG 114  23.512  -4.725  -0.576
  894    H    GLY 115           H        GLY 115  16.806   1.203   0.397
  895   1HA   GLY 115          2HA       GLY 115  16.755   0.759   3.070
  896   2HA   GLY 115          1HA       GLY 115  15.932   2.119   2.327
  897    H    PHE 116           H        PHE 116  13.781   0.797   0.984
  898    HA   PHE 116           HA       PHE 116  12.239   0.252   3.312
  899   1HB   PHE 116          1HB       PHE 116  11.654  -0.173   0.379
  900   2HB   PHE 116          1HB       PHE 116  10.528  -0.714   1.614
  901    HD1  PHE 116          1HD       PHE 116  12.053   2.197   0.015
  902    HD2  PHE 116          2HD       PHE 116   9.190   0.850   2.851
  903    HE1  PHE 116          1HE       PHE 116  11.075   4.449   0.082
  904    HE2  PHE 116          2HE       PHE 116   8.201   3.101   2.928
  905    HZ   PHE 116           HZ       PHE 116   9.143   4.904   1.541
  906    H    THR 117           H        THR 117  13.325  -1.813   0.683
  907    HA   THR 117           HA       THR 117  12.677  -4.269   1.688
  908    HB   THR 117           HB       THR 117  13.979  -3.443  -0.521
  909    HG1  THR 117          1HG       THR 117  13.754  -6.012   0.609
  910   1HG2  THR 117          1HG2      THR 117  16.077  -4.911   1.064
  911   2HG2  THR 117          2HG2      THR 117  16.174  -3.254   0.483
  912   3HG2  THR 117          3HG2      THR 117  16.137  -4.584  -0.667
  913    H    LYS 118           H        LYS 118  15.130  -2.162   2.969
  914    HA   LYS 118           HA       LYS 118  15.868  -4.321   4.823
  915   1HB   LYS 118          1HB       LYS 118  18.016  -4.357   4.197
  916   2HB   LYS 118          1HB       LYS 118  17.497  -3.474   2.774
  917   1HG   LYS 118          1HG       LYS 118  18.247  -1.434   3.613
  918   2HG   LYS 118          1HG       LYS 118  18.322  -2.035   5.268
  919   1HD   LYS 118          1HD       LYS 118  20.424  -2.691   5.007
  920   2HD   LYS 118          1HD       LYS 118  20.013  -3.612   3.560
  921   1HE   LYS 118          1HE       LYS 118  21.218  -2.138   2.408
  922   2HE   LYS 118          1HE       LYS 118  19.945  -0.963   2.731
  923   1HZ   LYS 118          1HZ       LYS 118  21.297   0.179   4.050
  924   2HZ   LYS 118          2HZ       LYS 118  22.569  -0.796   3.512
  925   3HZ   LYS 118          3HZ       LYS 118  21.742  -1.195   4.932
  926    H    THR 119           H        THR 119  16.103  -0.851   4.241
  927    HA   THR 119           HA       THR 119  16.994  -0.412   6.943
  928    HB   THR 119           HB       THR 119  16.578   1.966   5.364
  929    HG1  THR 119          1HG       THR 119  18.191   1.290   3.798
  930   1HG2  THR 119          1HG2      THR 119  18.783   2.412   5.909
  931   2HG2  THR 119          2HG2      THR 119  19.221   0.700   5.954
  932   3HG2  THR 119          3HG2      THR 119  18.274   1.407   7.270
  933    H    TYR 120           H        TYR 120  13.746   0.196   5.528
  934    HA   TYR 120           HA       TYR 120  13.574   2.376   7.420
  935   1HB   TYR 120          1HB       TYR 120  11.879   1.472   5.137
  936   2HB   TYR 120          1HB       TYR 120  11.334   2.651   6.300
  937    HD1  TYR 120          1HD       TYR 120  14.409   2.067   4.282
  938    HD2  TYR 120          2HD       TYR 120  11.539   4.841   5.728
  939    HE1  TYR 120          1HE       TYR 120  15.531   3.863   3.032
  940    HE2  TYR 120          2HE       TYR 120  12.643   6.639   4.494
  941    HH   TYR 120           HH       TYR 120  14.796   6.161   2.058
  942    H    THR 121           H        THR 121  13.484  -0.533   8.239
  943    HA   THR 121           HA       THR 121  10.845  -0.579   9.501
  944    HB   THR 121           HB       THR 121  10.872  -2.768   9.175
  945    HG1  THR 121          1HG       THR 121  13.088  -3.790  10.055
  946   1HG2  THR 121          1HG2      THR 121  13.662  -3.049   8.284
  947   2HG2  THR 121          2HG2      THR 121  12.635  -1.960   7.349
  948   3HG2  THR 121          3HG2      THR 121  12.166  -3.645   7.565
  949    H    VAL 122           H        VAL 122  13.984  -0.158  10.000
  950    HA   VAL 122           HA       VAL 122  13.795   0.145  12.935
  951    HB   VAL 122           HB       VAL 122  16.426  -0.560  11.706
  952   1HG1  VAL 122          1HG1      VAL 122  15.217  -0.722  14.455
  953   2HG1  VAL 122          2HG1      VAL 122  16.614   0.214  13.926
  954   3HG1  VAL 122          3HG1      VAL 122  16.719  -1.543  14.032
  955   1HG2  VAL 122          1HG2      VAL 122  15.619  -2.928  12.756
  956   2HG2  VAL 122          2HG2      VAL 122  15.529  -2.518  11.044
  957   3HG2  VAL 122          3HG2      VAL 122  14.107  -2.331  12.072
  958    H    GLY 123           H        GLY 123  14.977   1.371   9.915
  959   1HA   GLY 123          2HA       GLY 123  15.879   3.815  11.299
  960   2HA   GLY 123          1HA       GLY 123  16.706   3.162   9.891
  961    H    CYS 124           H        CYS 124  13.293   3.146  10.267
  962    HA   CYS 124           HA       CYS 124  12.619   4.161   7.796
  963   1HB   CYS 124          1HB       CYS 124  10.391   4.653   8.867
  964   2HB   CYS 124          1HB       CYS 124  11.030   3.030   9.101
  965    H    GLU 125           H        GLU 125  14.401   5.955   7.950
  966    HA   GLU 125           HA       GLU 125  13.021   8.477   8.583
  967   1HB   GLU 125          1HB       GLU 125  15.720   9.079   8.801
  968   2HB   GLU 125          1HB       GLU 125  14.599   8.861  10.141
  969   1HG   GLU 125          1HG       GLU 125  15.144   6.410  10.039
  970   2HG   GLU 125          1HG       GLU 125  16.452   6.844   8.935
  971    H    GLU 126           H        GLU 126  12.422   8.099   6.287
  972    HA   GLU 126           HA       GLU 126  13.930   7.920   4.132
  973   1HB   GLU 126          1HB       GLU 126  12.272   9.010   2.895
  974   2HB   GLU 126          1HB       GLU 126  11.447   8.376   4.309
  975   1HG   GLU 126          1HG       GLU 126  10.640  10.387   4.695
  976   2HG   GLU 126          1HG       GLU 126  12.277  10.958   5.002
  Start of MODEL    5
    1   1H    CYS   1          1HT       CYS   1  -9.180  11.695   3.501
    2   2H    CYS   1          2HT       CYS   1  -8.647  13.252   3.974
    3   3H    CYS   1          3HT       CYS   1  -9.082  12.096   5.162
    4    HA   CYS   1           HA       CYS   1  -6.768  12.173   5.105
    5   1HB   CYS   1          1HB       CYS   1  -7.157   9.799   3.395
    6   2HB   CYS   1          1HB       CYS   1  -6.430   9.924   4.974
    7    H    THR   2           H        THR   2  -7.609  13.753   2.686
    8    HA   THR   2           HA       THR   2  -5.653  12.723   0.781
    9    HB   THR   2           HB       THR   2  -7.817  13.105  -0.197
   10    HG1  THR   2          1HG       THR   2  -5.971  13.675  -1.453
   11   1HG2  THR   2          1HG2      THR   2  -9.043  15.048  -0.157
   12   2HG2  THR   2          2HG2      THR   2  -7.657  16.040   0.295
   13   3HG2  THR   2          3HG2      THR   2  -8.408  14.979   1.486
   14    H    CYS   3           H        CYS   3  -3.812  13.391   1.861
   15    HA   CYS   3           HA       CYS   3  -3.267  16.281   1.714
   16   1HB   CYS   3          1HB       CYS   3  -1.619  15.885   3.571
   17   2HB   CYS   3          1HB       CYS   3  -3.285  15.626   4.048
   18    H    VAL   4           H        VAL   4  -0.542  16.235   1.979
   19    HA   VAL   4           HA       VAL   4   0.208  15.014  -0.558
   20    HB   VAL   4           HB       VAL   4   2.080  16.436  -0.615
   21   1HG1  VAL   4          1HG1      VAL   4  -0.145  17.952   0.739
   22   2HG1  VAL   4          2HG1      VAL   4  -0.016  17.605  -0.985
   23   3HG1  VAL   4          3HG1      VAL   4   1.158  18.668  -0.210
   24   1HG2  VAL   4          1HG2      VAL   4   2.986  16.044   1.583
   25   2HG2  VAL   4          2HG2      VAL   4   1.654  16.927   2.329
   26   3HG2  VAL   4          3HG2      VAL   4   2.825  17.783   1.326
   27    HA   PRO   5           HA       PRO   5   2.643  11.521   0.542
   28   1HB   PRO   5          1HB       PRO   5   4.986  13.190  -0.313
   29   2HB   PRO   5          1HB       PRO   5   4.632  11.494  -0.666
   30   1HG   PRO   5          1HG       PRO   5   4.121  13.348  -2.483
   31   2HG   PRO   5          1HG       PRO   5   2.971  12.026  -2.209
   32   1HD   PRO   5          1HD       PRO   5   2.776  14.889  -1.441
   33   2HD   PRO   5          1HD       PRO   5   1.487  13.734  -1.823
   34    HA   PRO   6           HA       PRO   6   4.169  13.033   4.532
   35   1HB   PRO   6          1HB       PRO   6   3.130  10.878   5.920
   36   2HB   PRO   6          1HB       PRO   6   2.272  12.382   5.587
   37   1HG   PRO   6          1HG       PRO   6   1.709   9.777   4.552
   38   2HG   PRO   6          1HG       PRO   6   0.867  11.294   4.206
   39   1HD   PRO   6          1HD       PRO   6   2.906   9.873   2.610
   40   2HD   PRO   6          1HD       PRO   6   1.676  11.045   2.099
   41    H    HIS   7           H        HIS   7   6.024  12.715   5.527
   42    HA   HIS   7           HA       HIS   7   8.076  11.323   4.746
   43   1HB   HIS   7          1HB       HIS   7   7.185  11.944   7.525
   44   2HB   HIS   7          1HB       HIS   7   8.652  11.000   7.286
   45    HD1  HIS   7          1HD       HIS   7   8.104  14.170   8.203
   46    HD2  HIS   7          2HD       HIS   7   9.943  12.657   4.799
   47    HE1  HIS   7          1HE       HIS   7   9.577  16.023   7.354
   48    HE2  HIS   7          2HE       HIS   7  10.590  15.122   5.231
   49    HA   PRO   8           HA       PRO   8   7.102   7.011   4.828
   50   1HB   PRO   8          1HB       PRO   8   9.498   6.091   4.103
   51   2HB   PRO   8          1HB       PRO   8   8.481   6.984   2.957
   52   1HG   PRO   8          1HG       PRO   8  10.644   8.036   4.735
   53   2HG   PRO   8          1HG       PRO   8  10.510   8.220   2.974
   54   1HD   PRO   8          1HD       PRO   8   9.673  10.166   4.604
   55   2HD   PRO   8          1HD       PRO   8   8.712   9.722   3.176
   56    H    GLN   9           H        GLN   9   9.456   8.650   6.887
   57    HA   GLN   9           HA       GLN   9  10.289   6.398   8.369
   58   1HB   GLN   9          1HB       GLN   9  11.377   8.475   8.911
   59   2HB   GLN   9          1HB       GLN   9   9.863   9.346   8.950
   60   1HG   GLN   9          1HG       GLN   9   9.534   7.587  11.006
   61   2HG   GLN   9          1HG       GLN   9  11.263   7.912  11.085
   62   1HE2  GLN   9          1HE2      GLN   9   8.079   9.386  11.112
   63   2HE2  GLN   9          2HE2      GLN   9   8.545  10.831  11.937
   64    H    THR  10           H        THR  10   7.962   8.887   9.112
   65    HA   THR  10           HA       THR  10   6.402   7.531  10.865
   66    HB   THR  10           HB       THR  10   6.061   9.897   9.130
   67    HG1  THR  10          1HG       THR  10   5.553   9.445  11.875
   68   1HG2  THR  10          1HG2      THR  10   3.746   8.323   9.747
   69   2HG2  THR  10          2HG2      THR  10   3.874   9.837   8.850
   70   3HG2  THR  10          3HG2      THR  10   3.696   9.862  10.606
   71    H    ALA  11           H        ALA  11   5.758   7.810   7.303
   72    HA   ALA  11           HA       ALA  11   3.440   6.262   7.315
   73   1HB   ALA  11          1HB       ALA  11   5.377   6.133   5.067
   74   2HB   ALA  11          2HB       ALA  11   4.513   7.627   5.439
   75   3HB   ALA  11          3HB       ALA  11   3.615   6.160   5.042
   76    H    PHE  12           H        PHE  12   6.817   5.201   6.784
   77    HA   PHE  12           HA       PHE  12   6.107   2.504   6.459
   78   1HB   PHE  12          1HB       PHE  12   8.425   3.756   6.058
   79   2HB   PHE  12          1HB       PHE  12   8.768   3.070   7.647
   80    HD1  PHE  12          1HD       PHE  12   8.886   0.673   7.962
   81    HD2  PHE  12          2HD       PHE  12   8.075   2.340   4.141
   82    HE1  PHE  12          1HE       PHE  12   9.388  -1.495   6.919
   83    HE2  PHE  12          2HE       PHE  12   8.563   0.172   3.086
   84    HZ   PHE  12           HZ       PHE  12   9.220  -1.750   4.475
   85    H    CYS  13           H        CYS  13   7.712   4.017   9.288
   86    HA   CYS  13           HA       CYS  13   7.471   1.868  10.963
   87   1HB   CYS  13          1HB       CYS  13   8.619   4.406  10.952
   88   2HB   CYS  13          1HB       CYS  13   7.550   4.402  12.340
   89    H    ASN  14           H        ASN  14   4.866   4.231  10.264
   90    HA   ASN  14           HA       ASN  14   3.705   3.530  12.824
   91   1HB   ASN  14          1HB       ASN  14   3.440   5.744  10.919
   92   2HB   ASN  14          1HB       ASN  14   1.887   5.116  11.453
   93   1HD2  ASN  14          1HD2      ASN  14   4.969   6.398  12.563
   94   2HD2  ASN  14          2HD2      ASN  14   4.374   7.035  14.056
   95    H    SER  15           H        SER  15   3.383   2.964   9.358
   96    HA   SER  15           HA       SER  15   0.860   1.794   9.471
   97   1HB   SER  15          1HB       SER  15   2.452   2.628   7.446
   98   2HB   SER  15          1HB       SER  15   2.567   0.879   7.314
   99    HG   SER  15           HG       SER  15   0.777   1.190   6.265
  100    H    ASP  16           H        ASP  16   0.345  -0.112   9.321
  101    HA   ASP  16           HA       ASP  16   1.964  -2.133  10.540
  102   1HB   ASP  16          1HB       ASP  16  -0.950  -1.768  10.150
  103   2HB   ASP  16          1HB       ASP  16  -0.284  -3.244  10.851
  104    H    LEU  17           H        LEU  17   1.581  -1.421   7.536
  105    HA   LEU  17           HA       LEU  17   2.329  -3.956   6.655
  106   1HB   LEU  17          1HB       LEU  17  -0.521  -3.375   6.308
  107   2HB   LEU  17          1HB       LEU  17   0.296  -3.978   4.881
  108    HG   LEU  17           HG       LEU  17  -0.294  -5.350   7.453
  109   1HD1  LEU  17          1HD1      LEU  17  -0.320  -6.064   4.541
  110   2HD1  LEU  17          2HD1      LEU  17  -1.703  -5.779   5.586
  111   3HD1  LEU  17          3HD1      LEU  17  -0.694  -7.207   5.834
  112   1HD2  LEU  17          1HD2      LEU  17   2.204  -5.452   7.215
  113   2HD2  LEU  17          2HD2      LEU  17   1.959  -6.267   5.670
  114   3HD2  LEU  17          3HD2      LEU  17   1.390  -7.014   7.164
  115    H    VAL  18           H        VAL  18   3.789  -3.636   5.156
  116    HA   VAL  18           HA       VAL  18   3.291  -1.562   3.171
  117    HB   VAL  18           HB       VAL  18   6.011  -1.897   4.413
  118   1HG1  VAL  18          1HG1      VAL  18   5.847  -0.908   2.189
  119   2HG1  VAL  18          2HG1      VAL  18   6.421   0.264   3.376
  120   3HG1  VAL  18          3HG1      VAL  18   4.754   0.327   2.813
  121   1HG2  VAL  18          1HG2      VAL  18   5.415  -0.777   6.248
  122   2HG2  VAL  18          2HG2      VAL  18   3.749  -0.680   5.681
  123   3HG2  VAL  18          3HG2      VAL  18   4.899   0.578   5.244
  124    H    ILE  19           H        ILE  19   3.610  -2.399   1.213
  125    HA   ILE  19           HA       ILE  19   5.644  -4.438   0.796
  126    HB   ILE  19           HB       ILE  19   3.983  -5.973  -0.216
  127   1HG1  ILE  19          1HG1      ILE  19   1.782  -4.493   1.166
  128   2HG1  ILE  19          1HG1      ILE  19   2.309  -3.931  -0.415
  129   1HG2  ILE  19          1HG2      ILE  19   4.644  -5.831   2.373
  130   2HG2  ILE  19          2HG2      ILE  19   3.559  -7.054   1.722
  131   3HG2  ILE  19          3HG2      ILE  19   2.900  -5.618   2.508
  132   1HD1  ILE  19          1HD1      ILE  19   1.477  -6.764   0.109
  133   2HD1  ILE  19          2HD1      ILE  19   1.683  -5.956  -1.445
  134   3HD1  ILE  19          3HD1      ILE  19   0.351  -5.501  -0.382
  135    H    ARG  20           H        ARG  20   6.015  -4.885  -1.363
  136    HA   ARG  20           HA       ARG  20   5.087  -2.805  -3.180
  137   1HB   ARG  20          1HB       ARG  20   6.889  -3.548  -4.688
  138   2HB   ARG  20          1HB       ARG  20   7.483  -3.015  -3.124
  139   1HG   ARG  20          1HG       ARG  20   8.146  -5.102  -2.504
  140   2HG   ARG  20          1HG       ARG  20   6.939  -5.904  -3.505
  141   1HD   ARG  20          1HD       ARG  20   9.654  -5.473  -4.086
  142   2HD   ARG  20          1HD       ARG  20   8.439  -6.196  -5.123
  143    HE   ARG  20           HE       ARG  20   9.351  -3.414  -5.161
  144   1HH1  ARG  20          1HH1      ARG  20   7.338  -5.921  -6.535
  145   2HH1  ARG  20          2HH1      ARG  20   7.073  -5.068  -8.009
  146   1HH2  ARG  20          1HH2      ARG  20   8.971  -2.302  -7.083
  147   2HH2  ARG  20          2HH2      ARG  20   8.039  -3.011  -8.323
  148    H    ALA  21           H        ALA  21   3.878  -3.194  -4.743
  149    HA   ALA  21           HA       ALA  21   3.292  -5.900  -5.715
  150   1HB   ALA  21          1HB       ALA  21   1.606  -6.246  -4.317
  151   2HB   ALA  21          2HB       ALA  21   0.706  -5.042  -5.236
  152   3HB   ALA  21          3HB       ALA  21   1.596  -4.567  -3.788
  153    H    LYS  22           H        LYS  22   1.624  -6.064  -7.238
  154    HA   LYS  22           HA       LYS  22   1.427  -3.787  -9.106
  155   1HB   LYS  22          1HB       LYS  22   1.858  -6.692  -9.471
  156   2HB   LYS  22          1HB       LYS  22   0.729  -5.958 -10.596
  157   1HG   LYS  22          1HG       LYS  22   2.391  -4.581 -11.508
  158   2HG   LYS  22          1HG       LYS  22   3.448  -4.796 -10.115
  159   1HD   LYS  22          1HD       LYS  22   3.178  -7.357 -10.982
  160   2HD   LYS  22          1HD       LYS  22   3.119  -6.461 -12.502
  161   1HE   LYS  22          1HE       LYS  22   5.176  -5.210 -11.344
  162   2HE   LYS  22          1HE       LYS  22   5.332  -6.783 -10.564
  163   1HZ   LYS  22          1HZ       LYS  22   5.324  -6.248 -13.483
  164   2HZ   LYS  22          2HZ       LYS  22   5.332  -7.793 -12.796
  165   3HZ   LYS  22          3HZ       LYS  22   6.642  -6.753 -12.548
  166    H    PHE  23           H        PHE  23  -0.688  -3.312  -9.901
  167    HA   PHE  23           HA       PHE  23  -2.845  -4.546  -8.333
  168   1HB   PHE  23          1HB       PHE  23  -2.834  -2.062 -10.069
  169   2HB   PHE  23          1HB       PHE  23  -4.245  -2.673  -9.214
  170    HD1  PHE  23          1HD       PHE  23  -0.717  -1.687  -8.528
  171    HD2  PHE  23          2HD       PHE  23  -4.752  -1.749  -7.180
  172    HE1  PHE  23          1HE       PHE  23  -0.068  -0.390  -6.540
  173    HE2  PHE  23          2HE       PHE  23  -4.112  -0.453  -5.189
  174    HZ   PHE  23           HZ       PHE  23  -1.766   0.228  -4.867
  175    H    VAL  24           H        VAL  24  -3.918  -6.051  -9.049
  176    HA   VAL  24           HA       VAL  24  -4.322  -6.343 -11.920
  177    HB   VAL  24           HB       VAL  24  -3.888  -8.716 -11.598
  178   1HG1  VAL  24          1HG1      VAL  24  -1.904  -8.170 -12.369
  179   2HG1  VAL  24          2HG1      VAL  24  -1.355  -7.989 -10.710
  180   3HG1  VAL  24          3HG1      VAL  24  -2.005  -6.603 -11.570
  181   1HG2  VAL  24          1HG2      VAL  24  -4.019  -8.073  -8.862
  182   2HG2  VAL  24          2HG2      VAL  24  -2.428  -8.736  -9.217
  183   3HG2  VAL  24          3HG2      VAL  24  -3.866  -9.657  -9.618
  184    H    GLY  25           H        GLY  25  -6.261  -5.280 -10.238
  185   1HA   GLY  25          2HA       GLY  25  -8.466  -6.995 -10.751
  186   2HA   GLY  25          1HA       GLY  25  -8.134  -6.921  -9.028
  187    H    THR  26           H        THR  26 -10.540  -5.958 -10.077
  188    HA   THR  26           HA       THR  26 -10.250  -3.073 -10.269
  189    HB   THR  26           HB       THR  26 -11.609  -4.344 -11.899
  190    HG1  THR  26          1HG       THR  26 -12.486  -2.449 -11.969
  191   1HG2  THR  26          1HG2      THR  26 -12.516  -5.882  -9.969
  192   2HG2  THR  26          2HG2      THR  26 -13.466  -5.556 -11.419
  193   3HG2  THR  26          3HG2      THR  26 -13.797  -4.671  -9.930
  194    HA   PRO  27           HA       PRO  27 -11.705  -2.114  -6.249
  195   1HB   PRO  27          1HB       PRO  27 -12.758   0.326  -6.617
  196   2HB   PRO  27          1HB       PRO  27 -11.035  -0.001  -6.750
  197   1HG   PRO  27          1HG       PRO  27 -13.064   0.319  -8.908
  198   2HG   PRO  27          1HG       PRO  27 -11.403   0.935  -8.836
  199   1HD   PRO  27          1HD       PRO  27 -12.146  -1.309 -10.218
  200   2HD   PRO  27          1HD       PRO  27 -10.515  -1.031  -9.589
  201    H    GLU  28           H        GLU  28 -13.267  -3.020  -5.191
  202    HA   GLU  28           HA       GLU  28 -15.996  -2.952  -6.238
  203   1HB   GLU  28          1HB       GLU  28 -14.506  -4.735  -4.533
  204   2HB   GLU  28          1HB       GLU  28 -15.988  -4.235  -3.730
  205   1HG   GLU  28          1HG       GLU  28 -17.247  -4.904  -5.749
  206   2HG   GLU  28          1HG       GLU  28 -15.746  -5.520  -6.435
  207    H    VAL  29           H        VAL  29 -17.167  -1.156  -5.773
  208    HA   VAL  29           HA       VAL  29 -16.642   0.175  -3.218
  209    HB   VAL  29           HB       VAL  29 -18.171   1.399  -5.457
  210   1HG1  VAL  29          1HG1      VAL  29 -16.386   2.858  -3.584
  211   2HG1  VAL  29          2HG1      VAL  29 -17.954   2.288  -3.010
  212   3HG1  VAL  29          3HG1      VAL  29 -17.863   3.392  -4.384
  213   1HG2  VAL  29          1HG2      VAL  29 -15.571   2.422  -5.562
  214   2HG2  VAL  29          2HG2      VAL  29 -16.353   1.388  -6.757
  215   3HG2  VAL  29          3HG2      VAL  29 -15.378   0.671  -5.474
  216    H    ASN  30           H        ASN  30 -18.117  -0.739  -1.679
  217    HA   ASN  30           HA       ASN  30 -20.867  -1.056  -2.448
  218   1HB   ASN  30          1HB       ASN  30 -19.488  -2.237  -0.503
  219   2HB   ASN  30          1HB       ASN  30 -20.156  -0.905   0.433
  220   1HD2  ASN  30          1HD2      ASN  30 -22.149  -1.078   1.195
  221   2HD2  ASN  30          2HD2      ASN  30 -23.311  -2.256   0.703
  222    H    GLN  31           H        GLN  31 -22.597   0.026  -1.473
  223    HA   GLN  31           HA       GLN  31 -22.234   2.918  -1.393
  224   1HB   GLN  31          1HB       GLN  31 -24.777   1.316  -1.161
  225   2HB   GLN  31          1HB       GLN  31 -24.674   3.055  -1.421
  226   1HG   GLN  31          1HG       GLN  31 -23.545   1.047  -3.339
  227   2HG   GLN  31          1HG       GLN  31 -25.208   1.622  -3.428
  228   1HE2  GLN  31          1HE2      GLN  31 -21.840   2.541  -3.678
  229   2HE2  GLN  31          2HE2      GLN  31 -22.103   4.000  -4.567
  230    H    THR  32           H        THR  32 -22.114   0.425   0.783
  231    HA   THR  32           HA       THR  32 -22.736   2.218   3.006
  232    HB   THR  32           HB       THR  32 -24.207  -0.144   2.053
  233    HG1  THR  32          1HG       THR  32 -24.949   1.967   3.776
  234   1HG2  THR  32          1HG2      THR  32 -24.128   0.239   5.030
  235   2HG2  THR  32          2HG2      THR  32 -23.229  -1.033   4.193
  236   3HG2  THR  32          3HG2      THR  32 -24.989  -0.990   4.099
  237    H    THR  33           H        THR  33 -20.266   1.367   2.023
  238    HA   THR  33           HA       THR  33 -19.356  -0.533   4.059
  239    HB   THR  33           HB       THR  33 -18.229  -1.293   2.247
  240    HG1  THR  33          1HG       THR  33 -16.219  -0.445   2.032
  241   1HG2  THR  33          1HG2      THR  33 -18.087  -0.392   0.172
  242   2HG2  THR  33          2HG2      THR  33 -17.756   1.219   0.812
  243   3HG2  THR  33          3HG2      THR  33 -19.399   0.601   0.794
  244    H    LEU  34           H        LEU  34 -18.571   2.475   2.373
  245    HA   LEU  34           HA       LEU  34 -17.794   4.449   3.396
  246   1HB   LEU  34          1HB       LEU  34 -17.559   2.634   5.704
  247   2HB   LEU  34          1HB       LEU  34 -16.324   3.834   5.557
  248    HG   LEU  34           HG       LEU  34 -19.283   4.323   5.756
  249   1HD1  LEU  34          1HD1      LEU  34 -18.975   4.469   7.958
  250   2HD1  LEU  34          2HD1      LEU  34 -17.636   5.594   7.737
  251   3HD1  LEU  34          3HD1      LEU  34 -17.338   3.857   7.716
  252   1HD2  LEU  34          1HD2      LEU  34 -18.984   6.479   5.182
  253   2HD2  LEU  34          2HD2      LEU  34 -17.524   5.885   4.385
  254   3HD2  LEU  34          3HD2      LEU  34 -17.429   6.577   6.006
  255    H    TYR  35           H        TYR  35 -16.495   1.471   2.716
  256    HA   TYR  35           HA       TYR  35 -13.991   2.579   1.757
  257   1HB   TYR  35          1HB       TYR  35 -12.939   0.333   2.555
  258   2HB   TYR  35          1HB       TYR  35 -13.020   1.730   3.604
  259    HD1  TYR  35          1HD       TYR  35 -14.768   1.899   5.298
  260    HD2  TYR  35          2HD       TYR  35 -14.041  -1.675   3.130
  261    HE1  TYR  35          1HE       TYR  35 -15.945   0.656   7.015
  262    HE2  TYR  35          2HE       TYR  35 -15.248  -2.967   4.860
  263    HH   TYR  35           HH       TYR  35 -17.260  -2.080   6.758
  264    H    GLN  36           H        GLN  36 -12.783   0.996   0.421
  265    HA   GLN  36           HA       GLN  36 -14.659  -0.612  -1.164
  266   1HB   GLN  36          1HB       GLN  36 -12.475   1.267  -2.027
  267   2HB   GLN  36          1HB       GLN  36 -13.264   0.134  -3.122
  268   1HG   GLN  36          1HG       GLN  36 -15.253   1.312  -3.077
  269   2HG   GLN  36          1HG       GLN  36 -14.846   2.120  -1.564
  270   1HE2  GLN  36          1HE2      GLN  36 -14.609   4.205  -1.907
  271   2HE2  GLN  36          2HE2      GLN  36 -13.803   4.938  -3.243
  272    H    ARG  37           H        ARG  37 -12.938  -1.776  -2.888
  273    HA   ARG  37           HA       ARG  37 -10.641  -2.743  -1.451
  274   1HB   ARG  37          1HB       ARG  37 -11.555  -4.591  -0.622
  275   2HB   ARG  37          1HB       ARG  37 -13.101  -4.169  -1.335
  276   1HG   ARG  37          1HG       ARG  37 -12.050  -5.229  -3.486
  277   2HG   ARG  37          1HG       ARG  37 -11.004  -6.033  -2.312
  278   1HD   ARG  37          1HD       ARG  37 -14.010  -6.035  -2.180
  279   2HD   ARG  37          1HD       ARG  37 -13.062  -7.306  -2.939
  280    HE   ARG  37           HE       ARG  37 -12.088  -7.746  -0.739
  281   1HH1  ARG  37          1HH1      ARG  37 -15.035  -5.859  -0.815
  282   2HH1  ARG  37          2HH1      ARG  37 -15.536  -6.359   0.763
  283   1HH2  ARG  37          1HH2      ARG  37 -12.768  -8.410   1.326
  284   2HH2  ARG  37          2HH2      ARG  37 -14.253  -7.802   1.977
  285    H    TYR  38           H        TYR  38  -9.106  -3.606  -2.694
  286    HA   TYR  38           HA       TYR  38  -9.562  -3.798  -5.602
  287   1HB   TYR  38          1HB       TYR  38  -7.182  -2.461  -4.286
  288   2HB   TYR  38          1HB       TYR  38  -7.303  -2.826  -5.994
  289    HD1  TYR  38          1HD       TYR  38  -9.278  -0.976  -3.386
  290    HD2  TYR  38          2HD       TYR  38  -7.824  -1.093  -7.384
  291    HE1  TYR  38          1HE       TYR  38 -10.203   1.269  -3.786
  292    HE2  TYR  38          2HE       TYR  38  -8.754   1.141  -7.801
  293    HH   TYR  38           HH       TYR  38  -9.616   3.006  -6.791
  294    H    GLU  39           H        GLU  39  -8.172  -5.305  -6.687
  295    HA   GLU  39           HA       GLU  39  -6.854  -7.207  -4.879
  296   1HB   GLU  39          1HB       GLU  39  -8.660  -7.868  -6.670
  297   2HB   GLU  39          1HB       GLU  39  -7.318  -7.719  -7.796
  298   1HG   GLU  39          1HG       GLU  39  -7.020  -9.389  -5.350
  299   2HG   GLU  39          1HG       GLU  39  -7.875 -10.020  -6.757
  300    H    ILE  40           H        ILE  40  -4.637  -7.746  -5.233
  301    HA   ILE  40           HA       ILE  40  -3.348  -6.225  -7.383
  302    HB   ILE  40           HB       ILE  40  -1.560  -5.619  -5.581
  303   1HG1  ILE  40          1HG1      ILE  40  -3.812  -5.347  -3.692
  304   2HG1  ILE  40          1HG1      ILE  40  -3.204  -6.983  -3.925
  305   1HG2  ILE  40          1HG2      ILE  40  -4.154  -4.277  -6.165
  306   2HG2  ILE  40          2HG2      ILE  40  -2.513  -3.800  -6.601
  307   3HG2  ILE  40          3HG2      ILE  40  -3.086  -3.579  -4.949
  308   1HD1  ILE  40          1HD1      ILE  40  -0.881  -5.805  -3.554
  309   2HD1  ILE  40          2HD1      ILE  40  -1.892  -6.306  -2.199
  310   3HD1  ILE  40          3HD1      ILE  40  -1.884  -4.621  -2.717
  311    H    LYS  41           H        LYS  41  -1.685  -7.176  -8.286
  312    HA   LYS  41           HA       LYS  41  -0.877  -9.785  -7.537
  313   1HB   LYS  41          1HB       LYS  41  -0.804  -9.190  -9.868
  314   2HB   LYS  41          1HB       LYS  41   0.315  -7.873  -9.543
  315   1HG   LYS  41          1HG       LYS  41   1.607  -9.599 -10.468
  316   2HG   LYS  41          1HG       LYS  41   1.928  -9.658  -8.733
  317   1HD   LYS  41          1HD       LYS  41  -0.232 -11.323  -8.988
  318   2HD   LYS  41          1HD       LYS  41   0.658 -11.629 -10.480
  319   1HE   LYS  41          1HE       LYS  41   2.558 -12.356  -9.340
  320   2HE   LYS  41          1HE       LYS  41   2.057 -11.596  -7.830
  321   1HZ   LYS  41          1HZ       LYS  41   1.579 -13.780  -7.418
  322   2HZ   LYS  41          2HZ       LYS  41   1.172 -14.126  -9.023
  323   3HZ   LYS  41          3HZ       LYS  41   0.091 -13.272  -8.043
  324    H    MET  42           H        MET  42  -0.188  -9.468  -5.379
  325    HA   MET  42           HA       MET  42   1.765  -7.662  -4.552
  326   1HB   MET  42          1HB       MET  42   0.241  -8.850  -3.025
  327   2HB   MET  42          1HB       MET  42   1.116 -10.342  -3.342
  328   1HG   MET  42          1HG       MET  42   3.182  -9.080  -2.511
  329   2HG   MET  42          1HG       MET  42   2.037  -7.904  -1.873
  330   1HE   MET  42          1HE       MET  42   2.294 -11.523  -2.453
  331   2HE   MET  42          2HE       MET  42   1.195 -12.162  -1.232
  332   3HE   MET  42          3HE       MET  42   2.931 -12.115  -0.920
  333    H    THR  43           H        THR  43   3.850  -7.536  -4.873
  334    HA   THR  43           HA       THR  43   5.148  -9.740  -6.183
  335    HB   THR  43           HB       THR  43   7.090  -8.237  -6.401
  336    HG1  THR  43          1HG       THR  43   5.453  -6.210  -5.349
  337   1HG2  THR  43          1HG2      THR  43   5.096  -8.245  -8.004
  338   2HG2  THR  43          2HG2      THR  43   6.234  -6.899  -8.074
  339   3HG2  THR  43          3HG2      THR  43   4.682  -6.700  -7.259
  340    H    LYS  44           H        LYS  44   6.001  -7.706  -3.322
  341    HA   LYS  44           HA       LYS  44   6.664 -10.011  -1.776
  342   1HB   LYS  44          1HB       LYS  44   8.990  -9.016  -1.212
  343   2HB   LYS  44          1HB       LYS  44   8.824  -9.984  -2.666
  344   1HG   LYS  44          1HG       LYS  44   8.669  -7.907  -3.992
  345   2HG   LYS  44          1HG       LYS  44   8.932  -6.977  -2.513
  346   1HD   LYS  44          1HD       LYS  44  11.082  -8.227  -2.207
  347   2HD   LYS  44          1HD       LYS  44  10.831  -8.942  -3.800
  348   1HE   LYS  44          1HE       LYS  44  10.866  -6.732  -4.814
  349   2HE   LYS  44          1HE       LYS  44  11.042  -5.994  -3.224
  350   1HZ   LYS  44          1HZ       LYS  44  13.221  -6.164  -3.479
  351   2HZ   LYS  44          2HZ       LYS  44  13.048  -7.014  -4.931
  352   3HZ   LYS  44          3HZ       LYS  44  13.085  -7.850  -3.461
  353    H    MET  45           H        MET  45   6.863  -9.439   0.483
  354    HA   MET  45           HA       MET  45   5.561  -6.892   1.069
  355   1HB   MET  45          1HB       MET  45   5.320  -7.872   3.400
  356   2HB   MET  45          1HB       MET  45   4.491  -8.752   2.124
  357   1HG   MET  45          1HG       MET  45   7.244  -9.596   2.819
  358   2HG   MET  45          1HG       MET  45   5.953  -9.953   3.965
  359   1HE   MET  45          1HE       MET  45   7.244 -12.856   1.246
  360   2HE   MET  45          2HE       MET  45   7.126 -12.768   3.004
  361   3HE   MET  45          3HE       MET  45   8.047 -11.551   2.121
  362    H    TYR  46           H        TYR  46   6.429  -5.270   2.443
  363    HA   TYR  46           HA       TYR  46   9.248  -5.630   3.196
  364   1HB   TYR  46          1HB       TYR  46   7.803  -3.288   2.022
  365   2HB   TYR  46          1HB       TYR  46   9.225  -3.032   3.029
  366    HD1  TYR  46          1HD       TYR  46  10.708  -5.598   2.033
  367    HD2  TYR  46          2HD       TYR  46   8.791  -2.379   0.004
  368    HE1  TYR  46          1HE       TYR  46  12.146  -5.968   0.083
  369    HE2  TYR  46          2HE       TYR  46  10.227  -2.749  -1.944
  370    HH   TYR  46           HH       TYR  46  12.916  -4.124  -2.002
  371    H    LYS  47           H        LYS  47   6.516  -5.906   4.597
  372    HA   LYS  47           HA       LYS  47   7.241  -5.342   7.179
  373   1HB   LYS  47          1HB       LYS  47   6.720  -2.938   5.971
  374   2HB   LYS  47          1HB       LYS  47   5.141  -3.346   6.638
  375   1HG   LYS  47          1HG       LYS  47   7.730  -3.143   8.160
  376   2HG   LYS  47          1HG       LYS  47   6.383  -2.011   8.209
  377   1HD   LYS  47          1HD       LYS  47   5.183  -4.407   8.814
  378   2HD   LYS  47          1HD       LYS  47   6.752  -4.540   9.611
  379   1HE   LYS  47          1HE       LYS  47   6.362  -2.687  10.963
  380   2HE   LYS  47          1HE       LYS  47   5.101  -2.058   9.904
  381   1HZ   LYS  47          1HZ       LYS  47   4.371  -3.111  12.071
  382   2HZ   LYS  47          2HZ       LYS  47   4.776  -4.601  11.381
  383   3HZ   LYS  47          3HZ       LYS  47   3.579  -3.639  10.672
  384    H    GLY  48           H        GLY  48   6.186  -7.063   7.860
  385   1HA   GLY  48          2HA       GLY  48   3.445  -7.246   8.247
  386   2HA   GLY  48          1HA       GLY  48   3.772  -8.038   6.719
  387    H    PHE  49           H        PHE  49   6.510  -8.577   8.470
  388    HA   PHE  49           HA       PHE  49   6.011 -11.291   8.875
  389   1HB   PHE  49          1HB       PHE  49   8.073  -9.754  10.446
  390   2HB   PHE  49          1HB       PHE  49   8.147 -11.412   9.861
  391    HD1  PHE  49          1HD       PHE  49   9.793  -8.577   9.496
  392    HD2  PHE  49          2HD       PHE  49   7.507 -11.212   7.057
  393    HE1  PHE  49          1HE       PHE  49  11.021  -7.798   7.513
  394    HE2  PHE  49          2HE       PHE  49   8.734 -10.440   5.071
  395    HZ   PHE  49           HZ       PHE  49  10.491  -8.729   5.294
  396    H    GLN  50           H        GLN  50   4.362  -9.026  10.318
  397    HA   GLN  50           HA       GLN  50   4.338 -10.235  12.981
  398   1HB   GLN  50          1HB       GLN  50   4.301  -7.549  12.313
  399   2HB   GLN  50          1HB       GLN  50   2.599  -7.913  12.569
  400   1HG   GLN  50          1HG       GLN  50   3.500  -9.077  14.728
  401   2HG   GLN  50          1HG       GLN  50   4.868  -7.996  14.482
  402   1HE2  GLN  50          1HE2      GLN  50   1.345  -8.036  14.711
  403   2HE2  GLN  50          2HE2      GLN  50   1.196  -6.484  15.455
  404    H    ALA  51           H        ALA  51   2.521  -9.147  10.253
  405    HA   ALA  51           HA       ALA  51   0.089 -10.473  10.973
  406   1HB   ALA  51          1HB       ALA  51  -0.844  -9.468   9.013
  407   2HB   ALA  51          2HB       ALA  51   0.761  -9.053   8.408
  408   3HB   ALA  51          3HB       ALA  51   0.134  -8.267   9.858
  409    H    LEU  52           H        LEU  52   2.871 -11.431   9.529
  410    HA   LEU  52           HA       LEU  52   2.337 -12.950   7.352
  411   1HB   LEU  52          1HB       LEU  52   4.509 -12.527   9.075
  412   2HB   LEU  52          1HB       LEU  52   4.268 -14.263   9.058
  413    HG   LEU  52           HG       LEU  52   4.324 -14.140   6.534
  414   1HD1  LEU  52          1HD1      LEU  52   5.620 -12.093   5.716
  415   2HD1  LEU  52          2HD1      LEU  52   5.100 -11.322   7.213
  416   3HD1  LEU  52          3HD1      LEU  52   3.900 -11.888   6.053
  417   1HD2  LEU  52          1HD2      LEU  52   6.431 -14.086   8.461
  418   2HD2  LEU  52          2HD2      LEU  52   6.966 -13.260   6.998
  419   3HD2  LEU  52          3HD2      LEU  52   6.369 -14.917   6.907
  420    H    GLY  53           H        GLY  53   0.208 -13.562   8.121
  421   1HA   GLY  53          2HA       GLY  53  -0.347 -15.527  10.035
  422   2HA   GLY  53          1HA       GLY  53  -1.309 -15.232   8.591
  423    H    ASP  54           H        ASP  54  -0.040 -15.955   6.563
  424    HA   ASP  54           HA       ASP  54   1.102 -18.598   7.031
  425   1HB   ASP  54          1HB       ASP  54  -1.380 -18.323   6.009
  426   2HB   ASP  54          1HB       ASP  54  -0.434 -18.232   4.531
  427    H    ALA  55           H        ALA  55   0.461 -16.740   4.157
  428    HA   ALA  55           HA       ALA  55   3.256 -16.063   3.855
  429   1HB   ALA  55          1HB       ALA  55   2.327 -17.187   1.378
  430   2HB   ALA  55          2HB       ALA  55   2.244 -18.374   2.680
  431   3HB   ALA  55          3HB       ALA  55   3.773 -17.574   2.314
  432    H    ALA  56           H        ALA  56   0.000 -16.076   2.597
  433    HA   ALA  56           HA       ALA  56   0.472 -13.440   1.342
  434   1HB   ALA  56          1HB       ALA  56  -0.763 -14.015  -0.473
  435   2HB   ALA  56          2HB       ALA  56  -1.813 -15.096   0.444
  436   3HB   ALA  56          3HB       ALA  56  -0.197 -15.624  -0.022
  437    H    ASP  57           H        ASP  57  -0.038 -12.437   3.348
  438    HA   ASP  57           HA       ASP  57  -2.858 -12.625   4.141
  439   1HB   ASP  57          1HB       ASP  57  -2.099 -11.329   6.162
  440   2HB   ASP  57          1HB       ASP  57  -1.368 -12.922   5.995
  441    H    ILE  58           H        ILE  58  -1.387 -10.980   1.861
  442    HA   ILE  58           HA       ILE  58  -3.021  -8.579   2.297
  443    HB   ILE  58           HB       ILE  58  -0.232  -8.222   1.274
  444   1HG1  ILE  58          1HG1      ILE  58  -0.363  -7.396   3.993
  445   2HG1  ILE  58          1HG1      ILE  58  -0.769  -9.091   3.915
  446   1HG2  ILE  58          1HG2      ILE  58  -2.261  -6.547   1.243
  447   2HG2  ILE  58          2HG2      ILE  58  -0.607  -5.996   1.529
  448   3HG2  ILE  58          3HG2      ILE  58  -1.706  -6.222   2.888
  449   1HD1  ILE  58          1HD1      ILE  58   1.577  -8.913   4.250
  450   2HD1  ILE  58          2HD1      ILE  58   1.733  -7.759   2.926
  451   3HD1  ILE  58          3HD1      ILE  58   1.316  -9.438   2.586
  452    H    ARG  59           H        ARG  59  -4.297  -9.645   0.361
  453    HA   ARG  59           HA       ARG  59  -2.748  -9.139  -2.069
  454   1HB   ARG  59          1HB       ARG  59  -5.072 -11.033  -1.815
  455   2HB   ARG  59          1HB       ARG  59  -3.872 -10.937  -3.098
  456   1HG   ARG  59          1HG       ARG  59  -2.308 -11.425  -0.926
  457   2HG   ARG  59          1HG       ARG  59  -3.775 -12.325  -0.527
  458   1HD   ARG  59          1HD       ARG  59  -2.316 -13.789  -1.715
  459   2HD   ARG  59          1HD       ARG  59  -3.654 -13.371  -2.785
  460    HE   ARG  59           HE       ARG  59  -1.219 -11.790  -3.022
  461   1HH1  ARG  59          1HH1      ARG  59  -3.191 -14.383  -4.291
  462   2HH1  ARG  59          2HH1      ARG  59  -2.442 -14.349  -5.851
  463   1HH2  ARG  59          1HH2      ARG  59  -0.242 -11.751  -5.071
  464   2HH2  ARG  59          2HH2      ARG  59  -0.769 -12.859  -6.294
  465    H    PHE  60           H        PHE  60  -5.113  -7.790  -0.282
  466    HA   PHE  60           HA       PHE  60  -6.201  -6.313  -2.493
  467   1HB   PHE  60          1HB       PHE  60  -7.878  -7.683  -0.373
  468   2HB   PHE  60          1HB       PHE  60  -8.487  -6.504  -1.522
  469    HD1  PHE  60          1HD       PHE  60  -6.888  -9.857  -1.327
  470    HD2  PHE  60          2HD       PHE  60  -9.371  -7.201  -3.536
  471    HE1  PHE  60          1HE       PHE  60  -7.457 -11.682  -2.875
  472    HE2  PHE  60          2HE       PHE  60  -9.942  -9.019  -5.092
  473    HZ   PHE  60           HZ       PHE  60  -8.985 -11.263  -4.763
  474    H    VAL  61           H        VAL  61  -6.851  -4.379  -2.019
  475    HA   VAL  61           HA       VAL  61  -5.939  -3.367   0.576
  476    HB   VAL  61           HB       VAL  61  -5.057  -1.541  -0.452
  477   1HG1  VAL  61          1HG1      VAL  61  -4.036  -2.363  -2.687
  478   2HG1  VAL  61          2HG1      VAL  61  -4.759  -3.892  -2.198
  479   3HG1  VAL  61          3HG1      VAL  61  -3.576  -3.104  -1.154
  480   1HG2  VAL  61          1HG2      VAL  61  -7.119  -1.926  -2.511
  481   2HG2  VAL  61          2HG2      VAL  61  -5.649  -1.065  -2.960
  482   3HG2  VAL  61          3HG2      VAL  61  -6.659  -0.465  -1.642
  483    H    TYR  62           H        TYR  62  -7.424  -2.530   1.869
  484    HA   TYR  62           HA       TYR  62  -9.983  -1.717   0.756
  485   1HB   TYR  62          1HB       TYR  62  -9.248  -2.451   3.588
  486   2HB   TYR  62          1HB       TYR  62 -10.872  -2.092   3.004
  487    HD1  TYR  62          1HD       TYR  62 -12.185  -3.941   2.791
  488    HD2  TYR  62          2HD       TYR  62  -8.045  -4.307   1.865
  489    HE1  TYR  62          1HE       TYR  62 -12.521  -6.300   2.219
  490    HE2  TYR  62          2HE       TYR  62  -8.363  -6.660   1.311
  491    HH   TYR  62           HH       TYR  62  -9.823  -8.429   1.477
  492    H    THR  63           H        THR  63 -10.057   0.373   0.363
  493    HA   THR  63           HA       THR  63  -9.119   2.305   2.383
  494    HB   THR  63           HB       THR  63  -7.914   2.726   0.397
  495    HG1  THR  63          1HG       THR  63 -10.168   4.429   0.267
  496   1HG2  THR  63          1HG2      THR  63 -10.350   1.846  -0.960
  497   2HG2  THR  63          2HG2      THR  63  -8.669   1.786  -1.487
  498   3HG2  THR  63          3HG2      THR  63  -9.602   3.270  -1.683
  499    HA   PRO  64           HA       PRO  64 -13.311   3.496   3.216
  500   1HB   PRO  64          1HB       PRO  64 -12.244   6.282   3.205
  501   2HB   PRO  64          1HB       PRO  64 -13.197   5.438   4.435
  502   1HG   PRO  64          1HG       PRO  64 -10.599   5.801   4.805
  503   2HG   PRO  64          1HG       PRO  64 -11.346   4.249   5.225
  504   1HD   PRO  64          1HD       PRO  64  -9.708   4.973   2.824
  505   2HD   PRO  64          1HD       PRO  64  -9.667   3.499   3.815
  506    H    ALA  65           H        ALA  65 -15.010   3.908   2.058
  507    HA   ALA  65           HA       ALA  65 -14.921   5.275  -0.464
  508   1HB   ALA  65          1HB       ALA  65 -15.481   2.902  -0.538
  509   2HB   ALA  65          2HB       ALA  65 -16.814   3.908  -1.106
  510   3HB   ALA  65          3HB       ALA  65 -16.859   3.211   0.515
  511    H    MET  66           H        MET  66 -15.167   7.256   1.138
  512    HA   MET  66           HA       MET  66 -18.011   7.926   1.082
  513   1HB   MET  66          1HB       MET  66 -17.615   9.066   3.391
  514   2HB   MET  66          1HB       MET  66 -17.993   7.353   3.311
  515   1HG   MET  66          1HG       MET  66 -15.926   6.718   4.001
  516   2HG   MET  66          1HG       MET  66 -15.136   8.101   3.265
  517   1HE   MET  66          1HE       MET  66 -14.848  10.565   4.652
  518   2HE   MET  66          2HE       MET  66 -16.105  10.943   5.828
  519   3HE   MET  66          3HE       MET  66 -16.546  10.504   4.176
  520    H    GLU  67           H        GLU  67 -18.329  10.316   1.653
  521    HA   GLU  67           HA       GLU  67 -16.469  11.830   0.032
  522   1HB   GLU  67          1HB       GLU  67 -18.971  12.732   1.474
  523   2HB   GLU  67          1HB       GLU  67 -18.067  13.674   0.298
  524   1HG   GLU  67          1HG       GLU  67 -19.322  11.023  -0.350
  525   2HG   GLU  67          1HG       GLU  67 -20.161  12.562  -0.539
  526    H    SER  68           H        SER  68 -14.935  13.193   0.770
  527    HA   SER  68           HA       SER  68 -13.647  14.437   2.186
  528   1HB   SER  68          1HB       SER  68 -16.247  14.595   3.409
  529   2HB   SER  68          1HB       SER  68 -15.023  14.437   4.668
  530    HG   SER  68           HG       SER  68 -14.569  16.237   2.570
  531    H    VAL  69           H        VAL  69 -13.215  11.806   1.828
  532    HA   VAL  69           HA       VAL  69 -12.143  10.856   4.402
  533    HB   VAL  69           HB       VAL  69 -14.195   9.645   3.269
  534   1HG1  VAL  69          1HG1      VAL  69 -13.763   8.968   1.194
  535   2HG1  VAL  69          2HG1      VAL  69 -12.999   7.604   1.997
  536   3HG1  VAL  69          3HG1      VAL  69 -12.025   8.954   1.434
  537   1HG2  VAL  69          1HG2      VAL  69 -13.242   8.854   5.290
  538   2HG2  VAL  69          2HG2      VAL  69 -11.827   8.231   4.450
  539   3HG2  VAL  69          3HG2      VAL  69 -13.403   7.479   4.200
  540    H    CYS  70           H        CYS  70 -10.909   8.639   2.962
  541    HA   CYS  70           HA       CYS  70  -8.657  10.062   1.799
  542   1HB   CYS  70          1HB       CYS  70  -8.595   7.112   1.902
  543   2HB   CYS  70          1HB       CYS  70  -7.381   8.263   2.432
  544    H    GLY  71           H        GLY  71 -10.295   7.105   1.214
  545   1HA   GLY  71          2HA       GLY  71 -11.268   6.257  -0.744
  546   2HA   GLY  71          1HA       GLY  71 -11.478   7.927  -1.270
  547    H    TYR  72           H        TYR  72  -9.098   5.446  -0.815
  548    HA   TYR  72           HA       TYR  72  -7.050   6.601  -2.388
  549   1HB   TYR  72          1HB       TYR  72  -6.609   4.921  -0.668
  550   2HB   TYR  72          1HB       TYR  72  -7.544   3.738  -1.575
  551    HD1  TYR  72          1HD       TYR  72  -4.410   5.629  -1.448
  552    HD2  TYR  72          2HD       TYR  72  -6.632   2.643  -3.500
  553    HE1  TYR  72          1HE       TYR  72  -2.377   4.948  -2.635
  554    HE2  TYR  72          2HE       TYR  72  -4.607   1.948  -4.700
  555    HH   TYR  72           HH       TYR  72  -1.458   3.177  -3.900
  556    H    PHE  73           H        PHE  73  -7.871   7.279  -4.211
  557    HA   PHE  73           HA       PHE  73  -9.077   5.399  -6.033
  558   1HB   PHE  73          1HB       PHE  73  -8.892   8.333  -5.866
  559   2HB   PHE  73          1HB       PHE  73  -8.810   7.672  -7.499
  560    HD1  PHE  73          1HD       PHE  73 -10.789   7.240  -4.367
  561    HD2  PHE  73          2HD       PHE  73 -10.798   7.344  -8.622
  562    HE1  PHE  73          1HE       PHE  73 -13.228   6.924  -4.364
  563    HE2  PHE  73          2HE       PHE  73 -13.240   7.032  -8.627
  564    HZ   PHE  73           HZ       PHE  73 -14.457   6.819  -6.496
  565    H    HIS  74           H        HIS  74  -7.923   4.133  -7.010
  566    HA   HIS  74           HA       HIS  74  -5.198   4.924  -7.708
  567   1HB   HIS  74          1HB       HIS  74  -5.016   3.083  -6.421
  568   2HB   HIS  74          1HB       HIS  74  -6.493   2.357  -7.019
  569    HD1  HIS  74          1HD       HIS  74  -6.107   0.463  -8.660
  570    HD2  HIS  74          2HD       HIS  74  -2.840   3.013  -8.394
  571    HE1  HIS  74          1HE       HIS  74  -4.310  -0.592 -10.068
  572    HE2  HIS  74          2HE       HIS  74  -2.291   0.876  -9.737
  573    H    ARG  75           H        ARG  75  -4.518   5.299  -9.593
  574    HA   ARG  75           HA       ARG  75  -6.114   4.464 -11.921
  575   1HB   ARG  75          1HB       ARG  75  -4.479   6.988 -11.783
  576   2HB   ARG  75          1HB       ARG  75  -5.698   6.552 -12.971
  577   1HG   ARG  75          1HG       ARG  75  -6.140   7.306 -10.094
  578   2HG   ARG  75          1HG       ARG  75  -6.623   8.205 -11.533
  579   1HD   ARG  75          1HD       ARG  75  -7.608   5.436 -10.946
  580   2HD   ARG  75          1HD       ARG  75  -8.437   6.874 -10.360
  581    HE   ARG  75           HE       ARG  75  -8.558   7.501 -12.807
  582   1HH1  ARG  75          1HH1      ARG  75  -8.485   4.174 -11.727
  583   2HH1  ARG  75          2HH1      ARG  75  -9.303   3.577 -13.127
  584   1HH2  ARG  75          1HH2      ARG  75  -9.635   6.705 -14.642
  585   2HH2  ARG  75          2HH2      ARG  75  -9.957   5.009 -14.779
  586    H    SER  76           H        SER  76  -4.740   2.609 -12.174
  587    HA   SER  76           HA       SER  76  -2.229   3.325 -13.503
  588   1HB   SER  76          1HB       SER  76  -2.515   0.953 -11.643
  589   2HB   SER  76          1HB       SER  76  -1.071   1.409 -12.545
  590    HG   SER  76           HG       SER  76  -0.698   2.372 -10.680
  591    H    HIS  77           H        HIS  77  -2.877   3.011 -15.553
  592    HA   HIS  77           HA       HIS  77  -4.610   1.081 -16.560
  593   1HB   HIS  77          1HB       HIS  77  -2.412   1.713 -18.404
  594   2HB   HIS  77          1HB       HIS  77  -4.139   1.966 -18.592
  595    HD1  HIS  77          1HD       HIS  77  -1.272   3.609 -16.685
  596    HD2  HIS  77          2HD       HIS  77  -4.777   4.584 -18.691
  597    HE1  HIS  77          1HE       HIS  77  -1.386   6.120 -16.656
  598    HE2  HIS  77          2HE       HIS  77  -3.509   6.690 -17.888
  599    H    ASN  78           H        ASN  78  -1.120   1.056 -16.511
  600    HA   ASN  78           HA       ASN  78  -0.813  -1.545 -17.533
  601   1HB   ASN  78          1HB       ASN  78   0.900   0.465 -17.188
  602   2HB   ASN  78          1HB       ASN  78   1.321  -0.483 -15.770
  603   1HD2  ASN  78          1HD2      ASN  78   2.571  -2.227 -15.992
  604   2HD2  ASN  78          2HD2      ASN  78   3.118  -2.864 -17.501
  605    H    ARG  79           H        ARG  79  -1.486  -3.378 -16.627
  606    HA   ARG  79           HA       ARG  79  -1.845  -3.680 -13.806
  607   1HB   ARG  79          1HB       ARG  79  -2.894  -4.876 -16.068
  608   2HB   ARG  79          1HB       ARG  79  -1.905  -6.151 -15.363
  609   1HG   ARG  79          1HG       ARG  79  -3.421  -6.542 -13.791
  610   2HG   ARG  79          1HG       ARG  79  -3.445  -4.843 -13.325
  611   1HD   ARG  79          1HD       ARG  79  -4.876  -5.693 -15.792
  612   2HD   ARG  79          1HD       ARG  79  -5.611  -6.001 -14.220
  613    HE   ARG  79           HE       ARG  79  -5.140  -3.463 -13.917
  614   1HH1  ARG  79          1HH1      ARG  79  -6.203  -5.043 -16.846
  615   2HH1  ARG  79          2HH1      ARG  79  -7.016  -3.641 -17.452
  616   1HH2  ARG  79          1HH2      ARG  79  -6.218  -1.625 -14.716
  617   2HH2  ARG  79          2HH2      ARG  79  -7.025  -1.704 -16.246
  618    H    SER  80           H        SER  80   0.756  -4.091 -15.878
  619    HA   SER  80           HA       SER  80   2.152  -5.998 -14.136
  620   1HB   SER  80          1HB       SER  80   3.356  -4.800 -16.611
  621   2HB   SER  80          1HB       SER  80   3.650  -6.381 -15.888
  622    HG   SER  80           HG       SER  80   1.273  -5.564 -17.218
  623    H    GLU  81           H        GLU  81   1.503  -2.884 -13.897
  624    HA   GLU  81           HA       GLU  81   4.233  -1.973 -13.450
  625   1HB   GLU  81          1HB       GLU  81   2.126  -0.530 -14.206
  626   2HB   GLU  81          1HB       GLU  81   1.954  -0.345 -12.469
  627   1HG   GLU  81          1HG       GLU  81   3.289   1.441 -12.898
  628   2HG   GLU  81          1HG       GLU  81   4.529   0.216 -12.629
  629    H    GLU  82           H        GLU  82   5.250  -2.286 -11.659
  630    HA   GLU  82           HA       GLU  82   3.991  -3.447  -9.372
  631   1HB   GLU  82          1HB       GLU  82   6.476  -2.980  -8.476
  632   2HB   GLU  82          1HB       GLU  82   6.022  -4.396  -9.408
  633   1HG   GLU  82          1HG       GLU  82   6.686  -3.012 -11.462
  634   2HG   GLU  82          1HG       GLU  82   7.504  -1.966 -10.307
  635    H    PHE  83           H        PHE  83   4.715  -2.432  -7.067
  636    HA   PHE  83           HA       PHE  83   4.702   0.420  -7.149
  637   1HB   PHE  83          1HB       PHE  83   2.193  -1.066  -6.755
  638   2HB   PHE  83          1HB       PHE  83   2.489   0.252  -5.627
  639    HD1  PHE  83          1HD       PHE  83   1.636  -0.634  -9.049
  640    HD2  PHE  83          2HD       PHE  83   2.797   2.530  -6.451
  641    HE1  PHE  83          1HE       PHE  83   0.917   1.008 -10.731
  642    HE2  PHE  83          2HE       PHE  83   2.078   4.178  -8.122
  643    HZ   PHE  83           HZ       PHE  83   1.137   3.419 -10.272
  644    H    LEU  84           H        LEU  84   4.161   1.305  -4.974
  645    HA   LEU  84           HA       LEU  84   5.511  -0.240  -2.833
  646   1HB   LEU  84          1HB       LEU  84   6.868   1.687  -3.682
  647   2HB   LEU  84          1HB       LEU  84   5.582   2.766  -3.194
  648    HG   LEU  84           HG       LEU  84   7.562   2.643  -1.645
  649   1HD1  LEU  84          1HD1      LEU  84   5.198   3.399  -1.078
  650   2HD1  LEU  84          2HD1      LEU  84   6.263   2.973   0.263
  651   3HD1  LEU  84          3HD1      LEU  84   5.024   1.839  -0.275
  652   1HD2  LEU  84          1HD2      LEU  84   6.375   0.055  -0.698
  653   2HD2  LEU  84          2HD2      LEU  84   7.903   0.810  -0.236
  654   3HD2  LEU  84          3HD2      LEU  84   7.715   0.106  -1.843
  655    H    ILE  85           H        ILE  85   4.196  -0.675  -1.162
  656    HA   ILE  85           HA       ILE  85   1.879   1.123  -0.812
  657    HB   ILE  85           HB       ILE  85   1.928  -1.894  -0.673
  658   1HG1  ILE  85          1HG1      ILE  85   0.265  -0.138  -2.475
  659   2HG1  ILE  85          1HG1      ILE  85   1.904  -0.608  -2.910
  660   1HG2  ILE  85          1HG2      ILE  85  -0.721  -0.810  -0.610
  661   2HG2  ILE  85          2HG2      ILE  85   0.211  -0.106   0.708
  662   3HG2  ILE  85          3HG2      ILE  85   0.073  -1.857   0.565
  663   1HD1  ILE  85          1HD1      ILE  85   1.160  -2.533  -3.689
  664   2HD1  ILE  85          2HD1      ILE  85  -0.487  -2.034  -3.302
  665   3HD1  ILE  85          3HD1      ILE  85   0.464  -2.929  -2.117
  666    H    ALA  86           H        ALA  86   2.048   2.139   0.958
  667    HA   ALA  86           HA       ALA  86   2.909   0.839   3.487
  668   1HB   ALA  86          1HB       ALA  86   3.333   2.971   4.446
  669   2HB   ALA  86          2HB       ALA  86   2.468   3.811   3.161
  670   3HB   ALA  86          3HB       ALA  86   4.029   3.059   2.829
  671    H    GLY  87           H        GLY  87   1.203   0.008   4.492
  672   1HA   GLY  87          2HA       GLY  87  -1.127   1.572   5.098
  673   2HA   GLY  87          1HA       GLY  87  -1.480   0.287   3.950
  674    H    LYS  88           H        LYS  88  -2.223   0.793   6.893
  675    HA   LYS  88           HA       LYS  88  -1.063  -1.352   8.377
  676   1HB   LYS  88          1HB       LYS  88  -3.448   0.378   8.964
  677   2HB   LYS  88          1HB       LYS  88  -2.806  -0.797  10.074
  678   1HG   LYS  88          1HG       LYS  88  -0.684   0.484  10.085
  679   2HG   LYS  88          1HG       LYS  88  -1.465   1.709   9.088
  680   1HD   LYS  88          1HD       LYS  88  -2.835   0.878  11.592
  681   2HD   LYS  88          1HD       LYS  88  -1.374   1.855  11.751
  682   1HE   LYS  88          1HE       LYS  88  -3.672   2.617   9.965
  683   2HE   LYS  88          1HE       LYS  88  -3.556   3.128  11.648
  684   1HZ   LYS  88          1HZ       LYS  88  -2.527   4.471   9.554
  685   2HZ   LYS  88          2HZ       LYS  88  -1.174   3.615  10.097
  686   3HZ   LYS  88          3HZ       LYS  88  -2.004   4.640  11.155
  687    H    LEU  89           H        LEU  89  -2.766  -2.841   9.573
  688    HA   LEU  89           HA       LEU  89  -4.417  -4.137   7.507
  689   1HB   LEU  89          1HB       LEU  89  -2.669  -5.168   9.671
  690   2HB   LEU  89          1HB       LEU  89  -4.152  -6.054   9.380
  691    HG   LEU  89           HG       LEU  89  -1.915  -5.570   7.445
  692   1HD1  LEU  89          1HD1      LEU  89  -2.221  -7.522   9.333
  693   2HD1  LEU  89          2HD1      LEU  89  -1.250  -7.661   7.867
  694   3HD1  LEU  89          3HD1      LEU  89  -2.904  -8.275   7.892
  695   1HD2  LEU  89          1HD2      LEU  89  -3.598  -5.492   5.939
  696   2HD2  LEU  89          2HD2      LEU  89  -4.727  -6.338   6.998
  697   3HD2  LEU  89          3HD2      LEU  89  -3.496  -7.242   6.114
  698    H    GLN  90           H        GLN  90  -6.502  -4.920   8.047
  699    HA   GLN  90           HA       GLN  90  -7.551  -4.164  10.658
  700   1HB   GLN  90          1HB       GLN  90  -8.375  -2.587   8.961
  701   2HB   GLN  90          1HB       GLN  90  -8.918  -3.933   7.975
  702   1HG   GLN  90          1HG       GLN  90 -10.056  -4.139  10.599
  703   2HG   GLN  90          1HG       GLN  90 -10.350  -2.532   9.937
  704   1HE2  GLN  90          1HE2      GLN  90 -12.533  -2.838   9.647
  705   2HE2  GLN  90          2HE2      GLN  90 -13.181  -3.906   8.452
  706    H    ASP  91           H        ASP  91  -7.859  -6.069  11.639
  707    HA   ASP  91           HA       ASP  91  -8.096  -8.367  11.872
  708   1HB   ASP  91          1HB       ASP  91 -10.568  -7.238  10.662
  709   2HB   ASP  91          1HB       ASP  91 -10.465  -8.988  10.836
  710    H    GLY  92           H        GLY  92  -6.552  -7.687   9.527
  711   1HA   GLY  92          2HA       GLY  92  -5.674  -9.699   8.297
  712   2HA   GLY  92          1HA       GLY  92  -7.332  -9.925   7.764
  713    H    LEU  93           H        LEU  93  -8.191  -7.579   6.915
  714    HA   LEU  93           HA       LEU  93  -6.918  -7.310   4.439
  715   1HB   LEU  93          1HB       LEU  93  -9.048  -5.599   5.708
  716   2HB   LEU  93          1HB       LEU  93  -8.653  -5.633   4.009
  717    HG   LEU  93           HG       LEU  93 -10.575  -6.923   4.126
  718   1HD1  LEU  93          1HD1      LEU  93  -9.969  -9.091   3.485
  719   2HD1  LEU  93          2HD1      LEU  93  -8.528  -9.081   4.504
  720   3HD1  LEU  93          3HD1      LEU  93  -8.588  -8.082   3.053
  721   1HD2  LEU  93          1HD2      LEU  93  -9.822  -8.778   6.262
  722   2HD2  LEU  93          2HD2      LEU  93 -11.361  -7.982   5.933
  723   3HD2  LEU  93          3HD2      LEU  93 -10.085  -7.115   6.787
  724    H    LEU  94           H        LEU  94  -5.785  -5.749   3.484
  725    HA   LEU  94           HA       LEU  94  -4.287  -3.948   5.151
  726   1HB   LEU  94          1HB       LEU  94  -3.083  -5.180   3.506
  727   2HB   LEU  94          1HB       LEU  94  -4.181  -4.671   2.236
  728    HG   LEU  94           HG       LEU  94  -3.341  -2.313   2.612
  729   1HD1  LEU  94          1HD1      LEU  94  -1.953  -1.872   4.268
  730   2HD1  LEU  94          2HD1      LEU  94  -0.787  -3.031   3.633
  731   3HD1  LEU  94          3HD1      LEU  94  -2.025  -3.559   4.775
  732   1HD2  LEU  94          1HD2      LEU  94  -2.304  -4.434   1.105
  733   2HD2  LEU  94          2HD2      LEU  94  -0.909  -3.577   1.762
  734   3HD2  LEU  94          3HD2      LEU  94  -2.113  -2.707   0.811
  735    H    HIS  95           H        HIS  95  -5.030  -1.974   5.644
  736    HA   HIS  95           HA       HIS  95  -6.826  -0.654   3.766
  737   1HB   HIS  95          1HB       HIS  95  -6.081  -0.161   6.638
  738   2HB   HIS  95          1HB       HIS  95  -6.918   1.069   5.695
  739    HD1  HIS  95          1HD       HIS  95  -9.349   1.001   6.049
  740    HD2  HIS  95          2HD       HIS  95  -7.652  -2.780   6.344
  741    HE1  HIS  95          1HE       HIS  95 -11.258  -0.555   6.559
  742    HE2  HIS  95          2HE       HIS  95 -10.218  -2.848   6.651
  743    H    ILE  96           H        ILE  96  -6.482   1.407   2.938
  744    HA   ILE  96           HA       ILE  96  -3.795   2.545   3.258
  745    HB   ILE  96           HB       ILE  96  -4.598   2.943   0.535
  746   1HG1  ILE  96          1HG1      ILE  96  -5.782   0.736   0.934
  747   2HG1  ILE  96          1HG1      ILE  96  -4.608   0.749  -0.379
  748   1HG2  ILE  96          1HG2      ILE  96  -2.322   1.332   0.588
  749   2HG2  ILE  96          2HG2      ILE  96  -2.258   2.284   2.071
  750   3HG2  ILE  96          3HG2      ILE  96  -2.392   3.093   0.511
  751   1HD1  ILE  96          1HD1      ILE  96  -3.819  -1.109   0.552
  752   2HD1  ILE  96          2HD1      ILE  96  -4.658  -0.807   2.075
  753   3HD1  ILE  96          3HD1      ILE  96  -3.097  -0.044   1.758
  754    H    THR  97           H        THR  97  -3.651   4.773   2.724
  755    HA   THR  97           HA       THR  97  -6.169   6.155   2.233
  756    HB   THR  97           HB       THR  97  -5.875   7.665   4.114
  757    HG1  THR  97          1HG       THR  97  -3.848   7.869   4.657
  758   1HG2  THR  97          1HG2      THR  97  -6.393   4.895   4.499
  759   2HG2  THR  97          2HG2      THR  97  -6.994   6.276   5.409
  760   3HG2  THR  97          3HG2      THR  97  -5.483   5.504   5.881
  761    H    THR  98           H        THR  98  -5.972   8.179   1.299
  762    HA   THR  98           HA       THR  98  -3.683   8.611  -0.265
  763    HB   THR  98           HB       THR  98  -5.438   9.616  -1.303
  764    HG1  THR  98          1HG       THR  98  -4.770  11.574  -1.469
  765   1HG2  THR  98          1HG2      THR  98  -7.404  10.069  -0.410
  766   2HG2  THR  98          2HG2      THR  98  -6.716  11.267   0.678
  767   3HG2  THR  98          3HG2      THR  98  -6.743   9.574   1.144
  768    H    CYS  99           H        CYS  99  -3.965   9.030   2.973
  769    HA   CYS  99           HA       CYS  99  -1.952  11.176   3.024
  770   1HB   CYS  99          1HB       CYS  99  -4.117  10.468   4.974
  771   2HB   CYS  99          1HB       CYS  99  -2.597  11.130   5.585
  772    H    SER 100           H        SER 100  -1.663   8.321   2.463
  773    HA   SER 100           HA       SER 100   0.246   7.633   4.589
  774   1HB   SER 100          1HB       SER 100  -1.920   6.026   3.391
  775   2HB   SER 100          1HB       SER 100  -0.353   5.216   3.417
  776    HG   SER 100           HG       SER 100  -1.467   6.493   5.686
  777    H    PHE 101           H        PHE 101   2.115   6.381   3.759
  778    HA   PHE 101           HA       PHE 101   3.044   7.523   1.324
  779   1HB   PHE 101          1HB       PHE 101   4.486   6.875   3.305
  780   2HB   PHE 101          1HB       PHE 101   4.358   5.214   2.735
  781    HD1  PHE 101          1HD       PHE 101   6.229   8.172   2.587
  782    HD2  PHE 101          2HD       PHE 101   4.969   4.883   0.198
  783    HE1  PHE 101          1HE       PHE 101   8.094   8.589   1.038
  784    HE2  PHE 101          2HE       PHE 101   6.834   5.291  -1.354
  785    HZ   PHE 101           HZ       PHE 101   8.401   7.146  -0.934
  786    H    VAL 102           H        VAL 102   2.117   6.874  -0.569
  787    HA   VAL 102           HA       VAL 102   2.290   4.030  -1.218
  788    HB   VAL 102           HB       VAL 102  -0.324   5.440  -1.700
  789   1HG1  VAL 102          1HG1      VAL 102   0.320   2.506  -1.525
  790   2HG1  VAL 102          2HG1      VAL 102   0.290   3.427  -3.031
  791   3HG1  VAL 102          3HG1      VAL 102  -1.184   3.245  -2.074
  792   1HG2  VAL 102          1HG2      VAL 102   0.394   5.126   0.821
  793   2HG2  VAL 102          2HG2      VAL 102  -0.085   3.459   0.510
  794   3HG2  VAL 102          3HG2      VAL 102  -1.244   4.767   0.285
  795    H    ALA 103           H        ALA 103   3.593   4.223  -2.951
  796    HA   ALA 103           HA       ALA 103   2.469   5.367  -5.368
  797   1HB   ALA 103          1HB       ALA 103   3.850   7.140  -3.888
  798   2HB   ALA 103          2HB       ALA 103   3.741   7.205  -5.647
  799   3HB   ALA 103          3HB       ALA 103   5.151   6.479  -4.877
  800    HA   PRO 104           HA       PRO 104   4.909   2.568  -7.782
  801   1HB   PRO 104          1HB       PRO 104   6.598   4.774  -8.828
  802   2HB   PRO 104          1HB       PRO 104   5.737   3.502  -9.705
  803   1HG   PRO 104          1HG       PRO 104   4.746   5.969  -9.659
  804   2HG   PRO 104          1HG       PRO 104   3.657   4.583  -9.456
  805   1HD   PRO 104          1HD       PRO 104   4.727   6.469  -7.381
  806   2HD   PRO 104          1HD       PRO 104   3.106   5.760  -7.526
  807    H    TRP 105           H        TRP 105   6.353   1.260  -6.921
  808    HA   TRP 105           HA       TRP 105   8.504   1.897  -5.296
  809   1HB   TRP 105          1HB       TRP 105   7.615  -0.393  -5.919
  810   2HB   TRP 105          1HB       TRP 105   8.411  -0.227  -7.460
  811    HD1  TRP 105           HD       TRP 105  10.557  -1.522  -7.549
  812    HE1  TRP 105          1HE       TRP 105  12.365  -2.222  -5.886
  813    HE3  TRP 105          3HE       TRP 105   8.737   0.773  -3.362
  814    HZ2  TRP 105          2HZ       TRP 105  12.952  -1.862  -3.156
  815    HZ3  TRP 105          3HZ       TRP 105  10.010   0.558  -1.263
  816    HH2  TRP 105           HH       TRP 105  12.085  -0.728  -1.190
  817    H    ASN 106           H        ASN 106   8.262   1.304  -8.707
  818    HA   ASN 106           HA       ASN 106  10.692   1.773  -9.566
  819   1HB   ASN 106          1HB       ASN 106   8.124   2.352 -10.949
  820   2HB   ASN 106          1HB       ASN 106   9.685   2.467 -11.768
  821   1HD2  ASN 106          1HD2      ASN 106  10.235   0.705 -12.847
  822   2HD2  ASN 106          2HD2      ASN 106   9.780  -0.915 -12.451
  823    H    SER 107           H        SER 107   8.626   4.225  -8.409
  824    HA   SER 107           HA       SER 107  10.169   6.341  -9.646
  825   1HB   SER 107          1HB       SER 107   7.666   6.484  -9.311
  826   2HB   SER 107          1HB       SER 107   7.983   6.647  -7.582
  827    HG   SER 107           HG       SER 107   9.515   8.393  -8.903
  828    H    LEU 108           H        LEU 108  10.697   4.396  -7.248
  829    HA   LEU 108           HA       LEU 108  11.648   6.236  -5.244
  830   1HB   LEU 108          1HB       LEU 108  11.284   3.361  -5.518
  831   2HB   LEU 108          1HB       LEU 108  12.540   3.856  -4.402
  832    HG   LEU 108           HG       LEU 108  10.791   5.343  -3.315
  833   1HD1  LEU 108          1HD1      LEU 108   8.580   3.693  -4.174
  834   2HD1  LEU 108          2HD1      LEU 108   9.287   4.575  -5.526
  835   3HD1  LEU 108          3HD1      LEU 108   8.715   5.450  -4.107
  836   1HD2  LEU 108          1HD2      LEU 108   9.580   2.987  -2.571
  837   2HD2  LEU 108          2HD2      LEU 108  11.061   3.662  -1.895
  838   3HD2  LEU 108          3HD2      LEU 108  11.152   2.462  -3.179
  839    H    SER 109           H        SER 109  13.669   6.140  -4.332
  840    HA   SER 109           HA       SER 109  15.863   6.401  -6.238
  841   1HB   SER 109          1HB       SER 109  16.263   6.451  -3.261
  842   2HB   SER 109          1HB       SER 109  17.095   7.364  -4.516
  843    HG   SER 109           HG       SER 109  14.366   7.759  -3.849
  844    H    LEU 110           H        LEU 110  17.054   4.894  -6.863
  845    HA   LEU 110           HA       LEU 110  17.091   2.289  -6.397
  846   1HB   LEU 110          1HB       LEU 110  19.652   2.451  -6.727
  847   2HB   LEU 110          1HB       LEU 110  18.555   2.955  -7.965
  848    HG   LEU 110           HG       LEU 110  20.679   4.365  -7.173
  849   1HD1  LEU 110          1HD1      LEU 110  18.190   5.106  -8.574
  850   2HD1  LEU 110          2HD1      LEU 110  19.838   4.965  -9.185
  851   3HD1  LEU 110          3HD1      LEU 110  19.376   6.363  -8.216
  852   1HD2  LEU 110          1HD2      LEU 110  18.406   5.604  -5.690
  853   2HD2  LEU 110          2HD2      LEU 110  19.903   6.426  -6.100
  854   3HD2  LEU 110          3HD2      LEU 110  19.943   5.026  -5.038
  855    H    ALA 111           H        ALA 111  18.444   4.609  -4.203
  856    HA   ALA 111           HA       ALA 111  19.530   2.585  -2.506
  857   1HB   ALA 111          1HB       ALA 111  20.356   5.070  -2.956
  858   2HB   ALA 111          2HB       ALA 111  20.680   4.205  -1.445
  859   3HB   ALA 111          3HB       ALA 111  19.338   5.355  -1.536
  860    H    GLN 112           H        GLN 112  16.769   4.722  -2.747
  861    HA   GLN 112           HA       GLN 112  15.726   3.912  -0.192
  862   1HB   GLN 112          1HB       GLN 112  15.541   6.235  -1.224
  863   2HB   GLN 112          1HB       GLN 112  14.428   5.529  -2.388
  864   1HG   GLN 112          1HG       GLN 112  12.748   5.541  -0.957
  865   2HG   GLN 112          1HG       GLN 112  13.746   4.897   0.349
  866   1HE2  GLN 112          1HE2      GLN 112  12.146   7.602  -0.847
  867   2HE2  GLN 112          2HE2      GLN 112  12.782   8.779   0.245
  868    H    ARG 113           H        ARG 113  16.053   2.627  -3.144
  869    HA   ARG 113           HA       ARG 113  13.527   1.218  -3.237
  870   1HB   ARG 113          1HB       ARG 113  15.362   1.784  -5.203
  871   2HB   ARG 113          1HB       ARG 113  15.863   0.169  -4.724
  872   1HG   ARG 113          1HG       ARG 113  14.356  -0.517  -6.221
  873   2HG   ARG 113          1HG       ARG 113  13.187  -0.146  -4.960
  874   1HD   ARG 113          1HD       ARG 113  12.366   1.614  -6.045
  875   2HD   ARG 113          1HD       ARG 113  13.967   2.161  -6.562
  876    HE   ARG 113           HE       ARG 113  12.121   0.788  -8.153
  877   1HH1  ARG 113          1HH1      ARG 113  15.527   0.700  -7.374
  878   2HH1  ARG 113          2HH1      ARG 113  15.972  -0.066  -8.860
  879   1HH2  ARG 113          1HH2      ARG 113  12.713  -0.224 -10.106
  880   2HH2  ARG 113          2HH2      ARG 113  14.379  -0.587 -10.409
  881    H    ARG 114           H        ARG 114  16.828   1.134  -2.193
  882    HA   ARG 114           HA       ARG 114  16.772  -1.568  -1.233
  883   1HB   ARG 114          1HB       ARG 114  18.727   0.431  -1.670
  884   2HB   ARG 114          1HB       ARG 114  18.766   0.054   0.053
  885   1HG   ARG 114          1HG       ARG 114  18.636  -2.309  -1.641
  886   2HG   ARG 114          1HG       ARG 114  20.070  -1.322  -1.924
  887   1HD   ARG 114          1HD       ARG 114  20.433  -1.279   0.528
  888   2HD   ARG 114          1HD       ARG 114  19.118  -2.446   0.703
  889    HE   ARG 114           HE       ARG 114  21.806  -2.956  -0.220
  890   1HH1  ARG 114          1HH1      ARG 114  18.508  -4.105  -0.220
  891   2HH1  ARG 114          2HH1      ARG 114  18.954  -5.760  -0.471
  892   1HH2  ARG 114          1HH2      ARG 114  22.393  -5.130  -0.542
  893   2HH2  ARG 114          2HH2      ARG 114  21.161  -6.342  -0.652
  894    H    GLY 115           H        GLY 115  16.855   1.658   0.290
  895   1HA   GLY 115          2HA       GLY 115  16.737   1.001   2.913
  896   2HA   GLY 115          1HA       GLY 115  15.893   2.391   2.263
  897    H    PHE 116           H        PHE 116  13.840   1.142   0.784
  898    HA   PHE 116           HA       PHE 116  12.276   0.327   3.048
  899   1HB   PHE 116          1HB       PHE 116  11.588   0.384   0.105
  900   2HB   PHE 116          1HB       PHE 116  10.447  -0.100   1.345
  901    HD1  PHE 116          1HD       PHE 116  11.681   2.541  -0.585
  902    HD2  PHE 116          2HD       PHE 116  10.048   1.653   3.216
  903    HE1  PHE 116          1HE       PHE 116  10.953   4.881  -0.363
  904    HE2  PHE 116          2HE       PHE 116   9.305   3.984   3.465
  905    HZ   PHE 116           HZ       PHE 116   9.752   5.596   1.662
  906    H    THR 117           H        THR 117  14.264  -1.271   0.925
  907    HA   THR 117           HA       THR 117  12.972  -3.851   1.275
  908    HB   THR 117           HB       THR 117  14.242  -2.872  -0.886
  909    HG1  THR 117          1HG       THR 117  13.989  -5.527   0.047
  910   1HG2  THR 117          1HG2      THR 117  16.377  -4.068  -1.170
  911   2HG2  THR 117          2HG2      THR 117  16.338  -4.516   0.535
  912   3HG2  THR 117          3HG2      THR 117  16.467  -2.820   0.074
  913    H    LYS 118           H        LYS 118  15.346  -1.893   2.732
  914    HA   LYS 118           HA       LYS 118  16.189  -4.174   4.356
  915   1HB   LYS 118          1HB       LYS 118  18.382  -3.991   3.823
  916   2HB   LYS 118          1HB       LYS 118  17.812  -3.101   2.422
  917   1HG   LYS 118          1HG       LYS 118  18.076  -0.998   3.728
  918   2HG   LYS 118          1HG       LYS 118  18.803  -1.949   5.019
  919   1HD   LYS 118          1HD       LYS 118  20.775  -1.947   3.992
  920   2HD   LYS 118          1HD       LYS 118  20.059  -2.532   2.490
  921   1HE   LYS 118          1HE       LYS 118  21.110  -0.437   2.040
  922   2HE   LYS 118          1HE       LYS 118  19.366  -0.186   1.994
  923   1HZ   LYS 118          1HZ       LYS 118  20.219   1.605   3.201
  924   2HZ   LYS 118          2HZ       LYS 118  21.286   0.639   4.088
  925   3HZ   LYS 118          3HZ       LYS 118  19.626   0.560   4.389
  926    H    THR 119           H        THR 119  16.192  -0.659   4.082
  927    HA   THR 119           HA       THR 119  16.946  -0.412   6.847
  928    HB   THR 119           HB       THR 119  16.401   2.075   5.556
  929    HG1  THR 119          1HG       THR 119  17.803   1.939   3.809
  930   1HG2  THR 119          1HG2      THR 119  18.522   2.616   6.211
  931   2HG2  THR 119          2HG2      THR 119  19.157   1.007   5.859
  932   3HG2  THR 119          3HG2      THR 119  18.206   1.281   7.321
  933    H    TYR 120           H        TYR 120  13.699  -0.005   5.351
  934    HA   TYR 120           HA       TYR 120  13.287   1.964   7.424
  935   1HB   TYR 120          1HB       TYR 120  11.789   1.275   4.922
  936   2HB   TYR 120          1HB       TYR 120  11.131   2.304   6.171
  937    HD1  TYR 120          1HD       TYR 120  12.525   4.348   6.897
  938    HD2  TYR 120          2HD       TYR 120  13.119   2.238   3.258
  939    HE1  TYR 120          1HE       TYR 120  13.674   6.301   5.964
  940    HE2  TYR 120          2HE       TYR 120  14.279   4.187   2.309
  941    HH   TYR 120           HH       TYR 120  14.378   6.611   2.654
  942    H    THR 121           H        THR 121  13.226  -1.126   7.694
  943    HA   THR 121           HA       THR 121  10.542  -1.350   8.841
  944    HB   THR 121           HB       THR 121  10.499  -3.477   8.166
  945    HG1  THR 121          1HG       THR 121  12.472  -4.841   8.493
  946   1HG2  THR 121          1HG2      THR 121  11.937  -2.212   6.356
  947   2HG2  THR 121          2HG2      THR 121  11.611  -3.945   6.254
  948   3HG2  THR 121          3HG2      THR 121  13.156  -3.371   6.888
  949    H    VAL 122           H        VAL 122  13.698  -1.115   9.493
  950    HA   VAL 122           HA       VAL 122  13.372  -1.635  12.366
  951    HB   VAL 122           HB       VAL 122  16.067  -1.878  11.106
  952   1HG1  VAL 122          1HG1      VAL 122  15.133  -3.582  13.343
  953   2HG1  VAL 122          2HG1      VAL 122  15.362  -1.863  13.672
  954   3HG1  VAL 122          3HG1      VAL 122  16.707  -2.835  13.071
  955   1HG2  VAL 122          1HG2      VAL 122  13.821  -3.733  10.763
  956   2HG2  VAL 122          2HG2      VAL 122  15.311  -4.482  11.335
  957   3HG2  VAL 122          3HG2      VAL 122  15.308  -3.566   9.827
  958    H    GLY 123           H        GLY 123  14.578   0.385   9.841
  959   1HA   GLY 123          2HA       GLY 123  15.254   2.439  11.838
  960   2HA   GLY 123          1HA       GLY 123  16.229   2.191  10.387
  961    H    CYS 124           H        CYS 124  12.777   1.954  10.659
  962    HA   CYS 124           HA       CYS 124  12.123   3.321   8.363
  963   1HB   CYS 124          1HB       CYS 124   9.899   3.737   9.916
  964   2HB   CYS 124          1HB       CYS 124  10.257   2.330   8.954
  965    H    GLU 125           H        GLU 125  13.915   5.073   9.132
  966    HA   GLU 125           HA       GLU 125  12.366   7.444   9.850
  967   1HB   GLU 125          1HB       GLU 125  14.886   8.031  10.737
  968   2HB   GLU 125          1HB       GLU 125  13.559   7.474  11.757
  969   1HG   GLU 125          1HG       GLU 125  14.306   5.123  11.232
  970   2HG   GLU 125          1HG       GLU 125  15.755   5.849  10.524
  971    H    GLU 126           H        GLU 126  12.147   7.928   7.650
  972    HA   GLU 126           HA       GLU 126  14.038   8.027   5.722
  973   1HB   GLU 126          1HB       GLU 126  12.782   9.974   4.781
  974   2HB   GLU 126          1HB       GLU 126  11.760   8.631   5.261
  975   1HG   GLU 126          1HG       GLU 126  10.559  10.314   6.197
  976   2HG   GLU 126          1HG       GLU 126  11.667   9.999   7.529
  Start of MODEL    6
    1   1H    CYS   1          1HT       CYS   1  -9.362  14.293   5.810
    2   2H    CYS   1          2HT       CYS   1 -10.142  14.256   4.282
    3   3H    CYS   1          3HT       CYS   1  -8.665  15.106   4.474
    4    HA   CYS   1           HA       CYS   1  -7.962  12.705   5.315
    5   1HB   CYS   1          1HB       CYS   1 -10.403  12.456   3.725
    6   2HB   CYS   1          1HB       CYS   1  -9.083  11.488   3.099
    7    H    THR   2           H        THR   2  -8.544  14.801   2.596
    8    HA   THR   2           HA       THR   2  -6.452  13.748   0.946
    9    HB   THR   2           HB       THR   2  -6.864  15.773  -0.419
   10    HG1  THR   2          1HG       THR   2  -8.778  17.028   0.423
   11   1HG2  THR   2          1HG2      THR   2  -8.403  14.356  -1.225
   12   2HG2  THR   2          2HG2      THR   2  -9.539  15.426  -0.403
   13   3HG2  THR   2          3HG2      THR   2  -9.010  13.936   0.376
   14    H    CYS   3           H        CYS   3  -4.992  13.875   3.019
   15    HA   CYS   3           HA       CYS   3  -3.864  16.476   3.551
   16   1HB   CYS   3          1HB       CYS   3  -2.994  15.518   5.391
   17   2HB   CYS   3          1HB       CYS   3  -4.092  14.207   5.032
   18    H    VAL   4           H        VAL   4  -1.186  16.112   3.784
   19    HA   VAL   4           HA       VAL   4  -0.417  15.797   0.985
   20    HB   VAL   4           HB       VAL   4   1.327  17.306   1.279
   21   1HG1  VAL   4          1HG1      VAL   4  -1.230  18.026   2.239
   22   2HG1  VAL   4          2HG1      VAL   4  -0.006  19.060   1.504
   23   3HG1  VAL   4          3HG1      VAL   4  -0.041  18.842   3.254
   24   1HG2  VAL   4          1HG2      VAL   4   2.219  18.022   3.449
   25   2HG2  VAL   4          2HG2      VAL   4   2.381  16.281   3.218
   26   3HG2  VAL   4          3HG2      VAL   4   1.111  16.918   4.265
   27    HA   PRO   5           HA       PRO   5   2.086  12.172   1.223
   28   1HB   PRO   5          1HB       PRO   5   4.368  14.004   0.563
   29   2HB   PRO   5          1HB       PRO   5   3.958  12.429  -0.130
   30   1HG   PRO   5          1HG       PRO   5   3.356  14.649  -1.445
   31   2HG   PRO   5          1HG       PRO   5   2.211  13.295  -1.402
   32   1HD   PRO   5          1HD       PRO   5   2.109  15.905   0.021
   33   2HD   PRO   5          1HD       PRO   5   0.782  14.881  -0.560
   34    HA   PRO   6           HA       PRO   6   3.898  12.923   5.264
   35   1HB   PRO   6          1HB       PRO   6   3.118  10.602   6.387
   36   2HB   PRO   6          1HB       PRO   6   2.043  11.980   6.143
   37   1HG   PRO   6          1HG       PRO   6   2.070   9.394   4.786
   38   2HG   PRO   6          1HG       PRO   6   0.807  10.632   4.812
   39   1HD   PRO   6          1HD       PRO   6   2.809  10.104   2.764
   40   2HD   PRO   6          1HD       PRO   6   1.398  11.179   2.699
   41    H    HIS   7           H        HIS   7   6.016  12.745   5.775
   42    HA   HIS   7           HA       HIS   7   7.937  11.446   4.677
   43   1HB   HIS   7          1HB       HIS   7   8.296  10.993   7.528
   44   2HB   HIS   7          1HB       HIS   7   9.197  12.027   6.431
   45    HD1  HIS   7          1HD       HIS   7   7.541  14.316   5.812
   46    HD2  HIS   7          2HD       HIS   7   7.252  12.459   9.517
   47    HE1  HIS   7          1HE       HIS   7   6.532  16.033   7.348
   48    HE2  HIS   7          2HE       HIS   7   6.464  14.919   9.607
   49    HA   PRO   8           HA       PRO   8   7.171   7.036   4.714
   50   1HB   PRO   8          1HB       PRO   8   9.609   6.352   3.720
   51   2HB   PRO   8          1HB       PRO   8   8.281   6.917   2.707
   52   1HG   PRO   8          1HG       PRO   8  10.586   8.418   3.813
   53   2HG   PRO   8          1HG       PRO   8   9.910   8.492   2.184
   54   1HD   PRO   8          1HD       PRO   8   9.384  10.374   4.032
   55   2HD   PRO   8          1HD       PRO   8   8.157   9.858   2.864
   56    H    GLN   9           H        GLN   9   9.602   8.879   6.258
   57    HA   GLN   9           HA       GLN   9  10.941   6.855   7.699
   58   1HB   GLN   9          1HB       GLN   9  12.108   8.825   7.812
   59   2HB   GLN   9          1HB       GLN   9  10.680   9.814   7.743
   60   1HG   GLN   9          1HG       GLN   9  11.157   8.306  10.242
   61   2HG   GLN   9          1HG       GLN   9  12.240   9.648   9.885
   62   1HE2  GLN   9          1HE2      GLN   9  10.211   9.305  11.976
   63   2HE2  GLN   9          2HE2      GLN   9   9.145  10.654  11.814
   64    H    THR  10           H        THR  10   8.016   8.708   8.013
   65    HA   THR  10           HA       THR  10   7.407   7.556  10.600
   66    HB   THR  10           HB       THR  10   6.370   9.834   8.938
   67    HG1  THR  10          1HG       THR  10   7.905  10.171  10.573
   68   1HG2  THR  10          1HG2      THR  10   4.553   8.175  10.286
   69   2HG2  THR  10          2HG2      THR  10   4.275   9.775   9.595
   70   3HG2  THR  10          3HG2      THR  10   4.773   9.614  11.281
   71    H    ALA  11           H        ALA  11   6.389   7.617   7.185
   72    HA   ALA  11           HA       ALA  11   4.028   6.119   7.396
   73   1HB   ALA  11          1HB       ALA  11   5.813   5.961   5.028
   74   2HB   ALA  11          2HB       ALA  11   5.010   7.478   5.449
   75   3HB   ALA  11          3HB       ALA  11   4.055   6.029   5.118
   76    H    PHE  12           H        PHE  12   7.410   5.091   6.926
   77    HA   PHE  12           HA       PHE  12   6.792   2.380   6.439
   78   1HB   PHE  12          1HB       PHE  12   9.045   3.721   6.139
   79   2HB   PHE  12          1HB       PHE  12   9.364   3.143   7.770
   80    HD1  PHE  12          1HD       PHE  12  10.051   2.493   4.502
   81    HD2  PHE  12          2HD       PHE  12   8.616   0.493   7.973
   82    HE1  PHE  12          1HE       PHE  12  10.814   0.346   3.579
   83    HE2  PHE  12          2HE       PHE  12   9.381  -1.658   7.054
   84    HZ   PHE  12           HZ       PHE  12  10.483  -1.732   4.853
   85    H    CYS  13           H        CYS  13   8.283   3.776   9.291
   86    HA   CYS  13           HA       CYS  13   7.852   1.506  10.895
   87   1HB   CYS  13          1HB       CYS  13   8.760   4.291  11.475
   88   2HB   CYS  13          1HB       CYS  13   8.495   3.136  12.773
   89    H    ASN  14           H        ASN  14   5.493   4.051  10.231
   90    HA   ASN  14           HA       ASN  14   4.338   3.548  12.839
   91   1HB   ASN  14          1HB       ASN  14   3.906   5.563  10.653
   92   2HB   ASN  14          1HB       ASN  14   2.592   5.210  11.761
   93   1HD2  ASN  14          1HD2      ASN  14   2.511   6.312  13.580
   94   2HD2  ASN  14          2HD2      ASN  14   3.800   7.236  14.263
   95    H    SER  15           H        SER  15   4.008   2.785   9.413
   96    HA   SER  15           HA       SER  15   1.386   1.827   9.565
   97   1HB   SER  15          1HB       SER  15   2.924   2.580   7.507
   98   2HB   SER  15          1HB       SER  15   3.189   0.840   7.462
   99    HG   SER  15           HG       SER  15   0.995   2.260   6.748
  100    H    ASP  16           H        ASP  16   0.747  -0.064   9.360
  101    HA   ASP  16           HA       ASP  16   2.210  -2.209  10.637
  102   1HB   ASP  16          1HB       ASP  16  -0.578  -1.391  10.429
  103   2HB   ASP  16          1HB       ASP  16  -0.281  -3.110  10.639
  104    H    LEU  17           H        LEU  17   1.875  -1.454   7.601
  105    HA   LEU  17           HA       LEU  17   2.684  -3.921   6.767
  106   1HB   LEU  17          1HB       LEU  17  -0.194  -3.785   6.681
  107   2HB   LEU  17          1HB       LEU  17   0.498  -4.136   5.101
  108    HG   LEU  17           HG       LEU  17   1.915  -5.686   7.011
  109   1HD1  LEU  17          1HD1      LEU  17   0.426  -6.737   8.325
  110   2HD1  LEU  17          2HD1      LEU  17  -0.880  -6.535   7.184
  111   3HD1  LEU  17          3HD1      LEU  17  -0.406  -5.190   8.194
  112   1HD2  LEU  17          1HD2      LEU  17  -0.090  -6.473   4.897
  113   2HD2  LEU  17          2HD2      LEU  17   1.029  -7.570   5.707
  114   3HD2  LEU  17          3HD2      LEU  17   1.649  -6.280   4.678
  115    H    VAL  18           H        VAL  18   4.017  -3.610   5.210
  116    HA   VAL  18           HA       VAL  18   3.429  -1.557   3.196
  117    HB   VAL  18           HB       VAL  18   6.197  -1.985   4.299
  118   1HG1  VAL  18          1HG1      VAL  18   4.912  -0.109   2.391
  119   2HG1  VAL  18          2HG1      VAL  18   6.482  -0.912   2.319
  120   3HG1  VAL  18          3HG1      VAL  18   6.254   0.486   3.369
  121   1HG2  VAL  18          1HG2      VAL  18   5.543   0.438   5.299
  122   2HG2  VAL  18          2HG2      VAL  18   5.455  -1.067   6.210
  123   3HG2  VAL  18          3HG2      VAL  18   4.003  -0.404   5.464
  124    H    ILE  19           H        ILE  19   3.663  -2.441   1.148
  125    HA   ILE  19           HA       ILE  19   5.673  -4.483   0.731
  126    HB   ILE  19           HB       ILE  19   4.116  -6.126  -0.083
  127   1HG1  ILE  19          1HG1      ILE  19   2.388  -4.506  -0.893
  128   2HG1  ILE  19          1HG1      ILE  19   1.718  -5.862  -0.003
  129   1HG2  ILE  19          1HG2      ILE  19   3.600  -6.976   1.917
  130   2HG2  ILE  19          2HG2      ILE  19   2.797  -5.524   2.476
  131   3HG2  ILE  19          3HG2      ILE  19   4.554  -5.635   2.504
  132   1HD1  ILE  19          1HD1      ILE  19   2.080  -3.050   0.979
  133   2HD1  ILE  19          2HD1      ILE  19   1.605  -4.395   2.006
  134   3HD1  ILE  19          3HD1      ILE  19   0.570  -3.897   0.669
  135    H    ARG  20           H        ARG  20   5.978  -5.014  -1.408
  136    HA   ARG  20           HA       ARG  20   5.045  -2.981  -3.271
  137   1HB   ARG  20          1HB       ARG  20   6.838  -3.461  -4.732
  138   2HB   ARG  20          1HB       ARG  20   7.521  -3.414  -3.120
  139   1HG   ARG  20          1HG       ARG  20   8.289  -5.487  -3.322
  140   2HG   ARG  20          1HG       ARG  20   6.723  -6.083  -3.834
  141   1HD   ARG  20          1HD       ARG  20   7.364  -6.145  -5.964
  142   2HD   ARG  20          1HD       ARG  20   8.001  -4.517  -5.894
  143    HE   ARG  20           HE       ARG  20   9.708  -6.439  -4.634
  144   1HH1  ARG  20          1HH1      ARG  20   8.769  -5.042  -7.683
  145   2HH1  ARG  20          2HH1      ARG  20  10.294  -5.348  -8.443
  146   1HH2  ARG  20          1HH2      ARG  20  11.727  -6.848  -5.626
  147   2HH2  ARG  20          2HH2      ARG  20  11.976  -6.374  -7.273
  148    H    ALA  21           H        ALA  21   3.843  -3.329  -4.825
  149    HA   ALA  21           HA       ALA  21   3.173  -5.945  -5.884
  150   1HB   ALA  21          1HB       ALA  21   1.251  -4.523  -4.096
  151   2HB   ALA  21          2HB       ALA  21   1.850  -6.175  -3.999
  152   3HB   ALA  21          3HB       ALA  21   0.722  -5.721  -5.278
  153    H    LYS  22           H        LYS  22   1.366  -5.960  -7.351
  154    HA   LYS  22           HA       LYS  22   1.276  -3.561  -9.056
  155   1HB   LYS  22          1HB       LYS  22   1.446  -6.444  -9.579
  156   2HB   LYS  22          1HB       LYS  22   0.308  -5.604 -10.610
  157   1HG   LYS  22          1HG       LYS  22   1.985  -4.662 -11.779
  158   2HG   LYS  22          1HG       LYS  22   2.942  -4.361 -10.329
  159   1HD   LYS  22          1HD       LYS  22   2.702  -7.190 -10.953
  160   2HD   LYS  22          1HD       LYS  22   3.473  -6.271 -12.234
  161   1HE   LYS  22          1HE       LYS  22   4.852  -5.214 -10.337
  162   2HE   LYS  22          1HE       LYS  22   4.308  -6.587  -9.379
  163   1HZ   LYS  22          1HZ       LYS  22   6.459  -6.981 -10.429
  164   2HZ   LYS  22          2HZ       LYS  22   5.767  -6.774 -11.958
  165   3HZ   LYS  22          3HZ       LYS  22   5.294  -8.074 -10.984
  166    H    PHE  23           H        PHE  23  -0.729  -2.977 -10.000
  167    HA   PHE  23           HA       PHE  23  -3.057  -3.846  -8.426
  168   1HB   PHE  23          1HB       PHE  23  -2.634  -1.484 -10.275
  169   2HB   PHE  23          1HB       PHE  23  -4.183  -1.894  -9.544
  170    HD1  PHE  23          1HD       PHE  23  -4.607  -1.510  -7.231
  171    HD2  PHE  23          2HD       PHE  23  -0.792  -0.676  -8.923
  172    HE1  PHE  23          1HE       PHE  23  -3.986  -0.256  -5.215
  173    HE2  PHE  23          2HE       PHE  23  -0.172   0.581  -6.908
  174    HZ   PHE  23           HZ       PHE  23  -1.769   0.777  -5.061
  175    H    VAL  24           H        VAL  24  -4.194  -5.265  -9.072
  176    HA   VAL  24           HA       VAL  24  -4.409  -5.911 -11.908
  177    HB   VAL  24           HB       VAL  24  -5.474  -8.024 -10.775
  178   1HG1  VAL  24          1HG1      VAL  24  -3.091  -7.463 -11.931
  179   2HG1  VAL  24          2HG1      VAL  24  -3.644  -9.077 -11.474
  180   3HG1  VAL  24          3HG1      VAL  24  -2.626  -8.153 -10.383
  181   1HG2  VAL  24          1HG2      VAL  24  -3.598  -7.989  -8.658
  182   2HG2  VAL  24          2HG2      VAL  24  -5.329  -8.299  -8.602
  183   3HG2  VAL  24          3HG2      VAL  24  -4.729  -6.653  -8.481
  184    H    GLY  25           H        GLY  25  -6.752  -6.806  -9.402
  185   1HA   GLY  25          2HA       GLY  25  -8.968  -6.305 -10.887
  186   2HA   GLY  25          1HA       GLY  25  -8.939  -6.297  -9.146
  187    H    THR  26           H        THR  26 -10.823  -4.872 -10.087
  188    HA   THR  26           HA       THR  26  -9.929  -2.074 -10.262
  189    HB   THR  26           HB       THR  26 -11.280  -3.086 -12.142
  190    HG1  THR  26          1HG       THR  26 -11.242  -0.861 -11.890
  191   1HG2  THR  26          1HG2      THR  26 -12.954  -4.395 -11.345
  192   2HG2  THR  26          2HG2      THR  26 -13.831  -2.886 -11.595
  193   3HG2  THR  26          3HG2      THR  26 -13.292  -3.335  -9.978
  194    HA   PRO  27           HA       PRO  27 -11.632  -0.932  -6.355
  195   1HB   PRO  27          1HB       PRO  27 -12.969   1.386  -6.928
  196   2HB   PRO  27          1HB       PRO  27 -11.229   1.248  -6.758
  197   1HG   PRO  27          1HG       PRO  27 -12.879   1.270  -9.242
  198   2HG   PRO  27          1HG       PRO  27 -11.353   2.112  -8.905
  199   1HD   PRO  27          1HD       PRO  27 -11.408  -0.129 -10.343
  200   2HD   PRO  27          1HD       PRO  27 -10.084   0.198  -9.218
  201    H    GLU  28           H        GLU  28 -13.173  -2.096  -5.411
  202    HA   GLU  28           HA       GLU  28 -15.825  -2.293  -6.551
  203   1HB   GLU  28          1HB       GLU  28 -14.278  -3.719  -4.557
  204   2HB   GLU  28          1HB       GLU  28 -15.905  -3.378  -3.981
  205   1HG   GLU  28          1HG       GLU  28 -16.379  -4.246  -6.519
  206   2HG   GLU  28          1HG       GLU  28 -14.988  -5.222  -6.050
  207    H    VAL  29           H        VAL  29 -17.748  -1.872  -5.088
  208    HA   VAL  29           HA       VAL  29 -17.235   0.173  -3.116
  209    HB   VAL  29           HB       VAL  29 -19.187   1.156  -5.110
  210   1HG1  VAL  29          1HG1      VAL  29 -17.901   2.099  -2.698
  211   2HG1  VAL  29          2HG1      VAL  29 -19.334   2.705  -3.525
  212   3HG1  VAL  29          3HG1      VAL  29 -17.732   3.244  -4.028
  213   1HG2  VAL  29          1HG2      VAL  29 -16.374   0.840  -5.633
  214   2HG2  VAL  29          2HG2      VAL  29 -16.798   2.538  -5.578
  215   3HG2  VAL  29          3HG2      VAL  29 -17.638   1.455  -6.686
  216    H    ASN  30           H        ASN  30 -18.355  -1.033  -1.449
  217    HA   ASN  30           HA       ASN  30 -21.113  -1.706  -1.939
  218   1HB   ASN  30          1HB       ASN  30 -19.450  -2.580  -0.007
  219   2HB   ASN  30          1HB       ASN  30 -20.281  -1.306   0.882
  220   1HD2  ASN  30          1HD2      ASN  30 -22.089  -1.846   1.863
  221   2HD2  ASN  30          2HD2      ASN  30 -23.106  -3.175   1.456
  222    H    GLN  31           H        GLN  31 -22.900  -0.720  -0.996
  223    HA   GLN  31           HA       GLN  31 -22.778   2.196  -0.937
  224   1HB   GLN  31          1HB       GLN  31 -25.190   0.429  -0.549
  225   2HB   GLN  31          1HB       GLN  31 -25.184   2.123  -1.038
  226   1HG   GLN  31          1HG       GLN  31 -23.959  -0.051  -2.699
  227   2HG   GLN  31          1HG       GLN  31 -25.657   0.403  -2.836
  228   1HE2  GLN  31          1HE2      GLN  31 -22.384   1.311  -3.470
  229   2HE2  GLN  31          2HE2      GLN  31 -22.730   2.691  -4.451
  230    H    THR  32           H        THR  32 -22.748  -0.464   1.121
  231    HA   THR  32           HA       THR  32 -23.232   1.216   3.465
  232    HB   THR  32           HB       THR  32 -24.473  -1.392   2.632
  233    HG1  THR  32          1HG       THR  32 -25.962   0.074   2.434
  234   1HG2  THR  32          1HG2      THR  32 -23.435  -1.630   4.999
  235   2HG2  THR  32          2HG2      THR  32 -25.108  -2.094   4.728
  236   3HG2  THR  32          3HG2      THR  32 -24.734  -0.546   5.482
  237    H    THR  33           H        THR  33 -20.802   1.097   2.806
  238    HA   THR  33           HA       THR  33 -19.611  -1.021   4.423
  239    HB   THR  33           HB       THR  33 -18.780  -1.558   2.339
  240    HG1  THR  33          1HG       THR  33 -17.089   0.188   3.552
  241   1HG2  THR  33          1HG2      THR  33 -18.288   1.190   1.367
  242   2HG2  THR  33          2HG2      THR  33 -19.902   0.508   1.233
  243   3HG2  THR  33          3HG2      THR  33 -18.544  -0.283   0.431
  244    H    LEU  34           H        LEU  34 -19.108   2.098   2.808
  245    HA   LEU  34           HA       LEU  34 -18.413   4.089   3.841
  246   1HB   LEU  34          1HB       LEU  34 -18.053   2.285   6.120
  247   2HB   LEU  34          1HB       LEU  34 -16.799   3.457   5.926
  248    HG   LEU  34           HG       LEU  34 -19.740   4.051   6.168
  249   1HD1  LEU  34          1HD1      LEU  34 -17.805   3.431   8.142
  250   2HD1  LEU  34          2HD1      LEU  34 -19.456   4.004   8.380
  251   3HD1  LEU  34          3HD1      LEU  34 -18.131   5.161   8.247
  252   1HD2  LEU  34          1HD2      LEU  34 -19.276   6.219   5.708
  253   2HD2  LEU  34          2HD2      LEU  34 -17.860   5.549   4.891
  254   3HD2  LEU  34          3HD2      LEU  34 -17.723   6.161   6.541
  255    H    TYR  35           H        TYR  35 -17.057   1.218   3.062
  256    HA   TYR  35           HA       TYR  35 -14.602   2.476   2.161
  257   1HB   TYR  35          1HB       TYR  35 -13.544   0.101   2.616
  258   2HB   TYR  35          1HB       TYR  35 -13.535   1.419   3.760
  259    HD1  TYR  35          1HD       TYR  35 -15.233   1.518   5.516
  260    HD2  TYR  35          2HD       TYR  35 -14.547  -1.959   3.187
  261    HE1  TYR  35          1HE       TYR  35 -16.257   0.187   7.265
  262    HE2  TYR  35          2HE       TYR  35 -15.600  -3.341   4.945
  263    HH   TYR  35           HH       TYR  35 -16.925  -3.236   6.841
  264    H    GLN  36           H        GLN  36 -13.258   0.646   0.714
  265    HA   GLN  36           HA       GLN  36 -15.065  -0.569  -1.148
  266   1HB   GLN  36          1HB       GLN  36 -13.269   1.808  -1.693
  267   2HB   GLN  36          1HB       GLN  36 -13.829   0.739  -2.972
  268   1HG   GLN  36          1HG       GLN  36 -16.069   1.376  -2.610
  269   2HG   GLN  36          1HG       GLN  36 -15.649   2.222  -1.126
  270   1HE2  GLN  36          1HE2      GLN  36 -16.044   4.309  -1.517
  271   2HE2  GLN  36          2HE2      GLN  36 -15.474   5.205  -2.862
  272    H    ARG  37           H        ARG  37 -13.603  -1.903  -2.692
  273    HA   ARG  37           HA       ARG  37 -10.900  -2.128  -1.610
  274   1HB   ARG  37          1HB       ARG  37 -11.026  -4.571  -1.520
  275   2HB   ARG  37          1HB       ARG  37 -12.103  -3.776  -0.379
  276   1HG   ARG  37          1HG       ARG  37 -14.003  -4.348  -1.589
  277   2HG   ARG  37          1HG       ARG  37 -13.078  -4.683  -3.056
  278   1HD   ARG  37          1HD       ARG  37 -11.974  -6.433  -1.279
  279   2HD   ARG  37          1HD       ARG  37 -13.657  -6.404  -0.758
  280    HE   ARG  37           HE       ARG  37 -12.631  -7.336  -3.327
  281   1HH1  ARG  37          1HH1      ARG  37 -15.385  -6.728  -1.260
  282   2HH1  ARG  37          2HH1      ARG  37 -16.457  -7.706  -2.201
  283   1HH2  ARG  37          1HH2      ARG  37 -14.048  -8.609  -4.563
  284   2HH2  ARG  37          2HH2      ARG  37 -15.701  -8.771  -4.075
  285    H    TYR  38           H        TYR  38  -9.412  -2.465  -2.852
  286    HA   TYR  38           HA       TYR  38  -9.876  -3.063  -5.725
  287   1HB   TYR  38          1HB       TYR  38  -7.418  -1.799  -4.470
  288   2HB   TYR  38          1HB       TYR  38  -7.631  -2.124  -6.176
  289    HD1  TYR  38          1HD       TYR  38  -7.778  -0.173  -7.346
  290    HD2  TYR  38          2HD       TYR  38  -9.779  -0.424  -3.596
  291    HE1  TYR  38          1HE       TYR  38  -8.631   2.113  -7.658
  292    HE2  TYR  38          2HE       TYR  38 -10.636   1.865  -3.904
  293    HH   TYR  38           HH       TYR  38 -10.645   3.686  -5.198
  294    H    GLU  39           H        GLU  39  -8.590  -4.655  -6.773
  295    HA   GLU  39           HA       GLU  39  -7.359  -6.595  -4.965
  296   1HB   GLU  39          1HB       GLU  39  -7.959  -6.929  -7.909
  297   2HB   GLU  39          1HB       GLU  39  -7.613  -8.192  -6.747
  298   1HG   GLU  39          1HG       GLU  39  -9.777  -8.459  -6.462
  299   2HG   GLU  39          1HG       GLU  39  -9.866  -6.848  -5.763
  300    H    ILE  40           H        ILE  40  -5.128  -7.031  -5.092
  301    HA   ILE  40           HA       ILE  40  -3.720  -5.653  -7.277
  302    HB   ILE  40           HB       ILE  40  -1.938  -5.185  -5.444
  303   1HG1  ILE  40          1HG1      ILE  40  -4.261  -4.843  -3.626
  304   2HG1  ILE  40          1HG1      ILE  40  -3.605  -6.466  -3.809
  305   1HG2  ILE  40          1HG2      ILE  40  -4.180  -3.703  -6.468
  306   2HG2  ILE  40          2HG2      ILE  40  -2.546  -3.151  -6.102
  307   3HG2  ILE  40          3HG2      ILE  40  -3.775  -3.167  -4.838
  308   1HD1  ILE  40          1HD1      ILE  40  -1.465  -4.616  -3.424
  309   2HD1  ILE  40          2HD1      ILE  40  -1.949  -5.988  -2.427
  310   3HD1  ILE  40          3HD1      ILE  40  -2.674  -4.402  -2.158
  311    H    LYS  41           H        LYS  41  -2.195  -6.703  -8.198
  312    HA   LYS  41           HA       LYS  41  -1.550  -9.343  -7.519
  313   1HB   LYS  41          1HB       LYS  41  -1.363  -7.951  -9.792
  314   2HB   LYS  41          1HB       LYS  41   0.306  -7.865  -9.285
  315   1HG   LYS  41          1HG       LYS  41   0.119  -9.717 -10.735
  316   2HG   LYS  41          1HG       LYS  41   0.300 -10.358  -9.103
  317   1HD   LYS  41          1HD       LYS  41  -2.475 -10.031  -9.578
  318   2HD   LYS  41          1HD       LYS  41  -1.789 -10.826 -10.996
  319   1HE   LYS  41          1HE       LYS  41  -0.645 -12.410  -9.380
  320   2HE   LYS  41          1HE       LYS  41  -1.674 -11.724  -8.125
  321   1HZ   LYS  41          1HZ       LYS  41  -3.087 -12.573 -10.497
  322   2HZ   LYS  41          2HZ       LYS  41  -3.450 -12.840  -8.866
  323   3HZ   LYS  41          3HZ       LYS  41  -2.329 -13.831  -9.655
  324    H    MET  42           H        MET  42  -0.787  -9.097  -5.308
  325    HA   MET  42           HA       MET  42   1.252  -7.457  -4.467
  326   1HB   MET  42          1HB       MET  42  -0.327  -8.846  -3.076
  327   2HB   MET  42          1HB       MET  42   0.770 -10.188  -3.341
  328   1HG   MET  42          1HG       MET  42   1.819  -7.606  -2.279
  329   2HG   MET  42          1HG       MET  42   0.976  -8.720  -1.203
  330   1HE   MET  42          1HE       MET  42   3.263 -11.966  -2.037
  331   2HE   MET  42          2HE       MET  42   1.849 -11.385  -2.911
  332   3HE   MET  42          3HE       MET  42   1.820 -11.469  -1.154
  333    H    THR  43           H        THR  43   3.417  -7.418  -4.561
  334    HA   THR  43           HA       THR  43   4.665  -9.568  -6.071
  335    HB   THR  43           HB       THR  43   5.962  -6.953  -5.361
  336    HG1  THR  43          1HG       THR  43   3.805  -7.027  -6.709
  337   1HG2  THR  43          1HG2      THR  43   7.664  -7.908  -6.433
  338   2HG2  THR  43          2HG2      THR  43   6.715  -7.648  -7.897
  339   3HG2  THR  43          3HG2      THR  43   6.649  -9.202  -7.068
  340    H    LYS  44           H        LYS  44   5.694  -7.462  -3.322
  341    HA   LYS  44           HA       LYS  44   6.602  -9.762  -1.816
  342   1HB   LYS  44          1HB       LYS  44   8.428  -8.710  -3.489
  343   2HB   LYS  44          1HB       LYS  44   8.636  -7.619  -2.128
  344   1HG   LYS  44          1HG       LYS  44   9.103  -9.502  -0.668
  345   2HG   LYS  44          1HG       LYS  44   8.859 -10.617  -2.014
  346   1HD   LYS  44          1HD       LYS  44  10.788  -8.448  -2.505
  347   2HD   LYS  44          1HD       LYS  44  11.268  -9.622  -1.276
  348   1HE   LYS  44          1HE       LYS  44  12.108 -10.520  -3.255
  349   2HE   LYS  44          1HE       LYS  44  10.600 -11.399  -3.005
  350   1HZ   LYS  44          1HZ       LYS  44  10.955 -10.604  -5.314
  351   2HZ   LYS  44          2HZ       LYS  44  10.845  -9.013  -4.752
  352   3HZ   LYS  44          3HZ       LYS  44   9.515 -10.051  -4.618
  353    H    MET  45           H        MET  45   6.714  -9.319   0.418
  354    HA   MET  45           HA       MET  45   5.556  -6.777   1.248
  355   1HB   MET  45          1HB       MET  45   6.195  -9.242   2.869
  356   2HB   MET  45          1HB       MET  45   5.275  -7.854   3.430
  357   1HG   MET  45          1HG       MET  45   3.596  -9.265   2.921
  358   2HG   MET  45          1HG       MET  45   3.774  -8.432   1.378
  359   1HE   MET  45          1HE       MET  45   2.598 -11.831   1.987
  360   2HE   MET  45          2HE       MET  45   2.770 -11.887   0.247
  361   3HE   MET  45          3HE       MET  45   2.185 -10.426   1.017
  362    H    TYR  46           H        TYR  46   6.615  -5.207   2.436
  363    HA   TYR  46           HA       TYR  46   9.378  -5.799   3.269
  364   1HB   TYR  46          1HB       TYR  46   8.268  -3.064   2.628
  365   2HB   TYR  46          1HB       TYR  46   9.937  -3.479   2.946
  366    HD1  TYR  46          1HD       TYR  46   7.295  -4.607   0.591
  367    HD2  TYR  46          2HD       TYR  46  11.304  -3.356   1.090
  368    HE1  TYR  46          1HE       TYR  46   7.667  -4.797  -1.802
  369    HE2  TYR  46          2HE       TYR  46  11.690  -3.540  -1.313
  370    HH   TYR  46           HH       TYR  46   9.521  -3.509  -3.508
  371    H    LYS  47           H        LYS  47   6.599  -5.911   4.661
  372    HA   LYS  47           HA       LYS  47   7.319  -5.432   7.243
  373   1HB   LYS  47          1HB       LYS  47   7.132  -2.962   6.082
  374   2HB   LYS  47          1HB       LYS  47   5.534  -3.157   6.789
  375   1HG   LYS  47          1HG       LYS  47   6.752  -3.828   8.931
  376   2HG   LYS  47          1HG       LYS  47   8.197  -3.161   8.167
  377   1HD   LYS  47          1HD       LYS  47   7.561  -1.074   8.615
  378   2HD   LYS  47          1HD       LYS  47   5.960  -1.351   7.931
  379   1HE   LYS  47          1HE       LYS  47   5.837  -0.696  10.282
  380   2HE   LYS  47          1HE       LYS  47   5.204  -2.321  10.023
  381   1HZ   LYS  47          1HZ       LYS  47   7.638  -2.984  10.630
  382   2HZ   LYS  47          2HZ       LYS  47   6.516  -2.639  11.848
  383   3HZ   LYS  47          3HZ       LYS  47   7.656  -1.474  11.393
  384    H    GLY  48           H        GLY  48   5.895  -6.681   8.327
  385   1HA   GLY  48          2HA       GLY  48   3.319  -6.543   8.888
  386   2HA   GLY  48          1HA       GLY  48   3.218  -7.084   7.214
  387    H    PHE  49           H        PHE  49   6.002  -8.369   8.161
  388    HA   PHE  49           HA       PHE  49   5.262 -10.974   8.159
  389   1HB   PHE  49          1HB       PHE  49   7.609  -9.488   9.256
  390   2HB   PHE  49          1HB       PHE  49   7.465 -11.214   9.585
  391    HD1  PHE  49          1HD       PHE  49   8.272 -12.728   8.046
  392    HD2  PHE  49          2HD       PHE  49   7.329  -8.782   6.756
  393    HE1  PHE  49          1HE       PHE  49   9.168 -13.245   5.815
  394    HE2  PHE  49          2HE       PHE  49   8.230  -9.292   4.525
  395    HZ   PHE  49           HZ       PHE  49   9.149 -11.527   4.051
  396    H    GLN  50           H        GLN  50   5.703  -8.940  11.140
  397    HA   GLN  50           HA       GLN  50   5.087 -10.891  12.958
  398   1HB   GLN  50          1HB       GLN  50   4.348  -9.025  14.445
  399   2HB   GLN  50          1HB       GLN  50   5.921  -8.772  13.708
  400   1HG   GLN  50          1HG       GLN  50   3.533  -7.627  12.359
  401   2HG   GLN  50          1HG       GLN  50   4.120  -6.862  13.834
  402   1HE2  GLN  50          1HE2      GLN  50   4.637  -7.368  10.500
  403   2HE2  GLN  50          2HE2      GLN  50   6.056  -6.402  10.329
  404    H    ALA  51           H        ALA  51   2.896  -8.959  10.958
  405    HA   ALA  51           HA       ALA  51   0.519  -9.836  12.265
  406   1HB   ALA  51          1HB       ALA  51  -0.407  -9.308   9.829
  407   2HB   ALA  51          2HB       ALA  51   1.163  -8.522   9.679
  408   3HB   ALA  51          3HB       ALA  51   0.046  -8.019  10.944
  409    H    LEU  52           H        LEU  52   2.168 -10.804   9.276
  410    HA   LEU  52           HA       LEU  52   1.617 -13.584   9.733
  411   1HB   LEU  52          1HB       LEU  52   0.593 -13.388   7.170
  412   2HB   LEU  52          1HB       LEU  52  -0.325 -13.657   8.636
  413    HG   LEU  52           HG       LEU  52  -0.727 -11.258   8.859
  414   1HD1  LEU  52          1HD1      LEU  52   1.380 -10.545   7.743
  415   2HD1  LEU  52          2HD1      LEU  52  -0.050  -9.677   7.203
  416   3HD1  LEU  52          3HD1      LEU  52   0.644 -10.947   6.211
  417   1HD2  LEU  52          1HD2      LEU  52  -2.566 -11.843   7.742
  418   2HD2  LEU  52          2HD2      LEU  52  -1.666 -12.914   6.668
  419   3HD2  LEU  52          3HD2      LEU  52  -1.786 -11.195   6.300
  420    H    GLY  53           H        GLY  53   1.918 -12.431   6.430
  421   1HA   GLY  53          2HA       GLY  53   3.811 -12.088   5.149
  422   2HA   GLY  53          1HA       GLY  53   4.802 -12.430   6.550
  423    H    ASP  54           H        ASP  54   2.270 -14.542   5.350
  424    HA   ASP  54           HA       ASP  54   4.034 -16.753   5.215
  425   1HB   ASP  54          1HB       ASP  54   1.246 -16.404   4.120
  426   2HB   ASP  54          1HB       ASP  54   2.120 -17.933   4.146
  427    H    ALA  55           H        ALA  55   2.037 -15.662   2.592
  428    HA   ALA  55           HA       ALA  55   4.335 -15.242   0.877
  429   1HB   ALA  55          1HB       ALA  55   2.141 -17.128   0.048
  430   2HB   ALA  55          2HB       ALA  55   3.696 -17.670   0.682
  431   3HB   ALA  55          3HB       ALA  55   3.626 -16.753  -0.825
  432    H    ALA  56           H        ALA  56   0.868 -15.498   1.204
  433    HA   ALA  56           HA       ALA  56   0.539 -12.985  -0.335
  434   1HB   ALA  56          1HB       ALA  56  -1.683 -14.950  -0.289
  435   2HB   ALA  56          2HB       ALA  56  -0.308 -15.259  -1.352
  436   3HB   ALA  56          3HB       ALA  56  -1.234 -13.766  -1.516
  437    H    ASP  57           H        ASP  57   0.662 -11.862   1.658
  438    HA   ASP  57           HA       ASP  57  -1.737 -12.221   3.307
  439   1HB   ASP  57          1HB       ASP  57  -0.512 -10.834   4.988
  440   2HB   ASP  57          1HB       ASP  57   0.207 -12.405   4.658
  441    H    ILE  58           H        ILE  58  -1.110 -10.505   0.675
  442    HA   ILE  58           HA       ILE  58  -2.779  -8.311   1.581
  443    HB   ILE  58           HB       ILE  58  -0.350  -7.534   0.027
  444   1HG1  ILE  58          1HG1      ILE  58   0.111  -6.870   2.749
  445   2HG1  ILE  58          1HG1      ILE  58  -0.229  -8.591   2.671
  446   1HG2  ILE  58          1HG2      ILE  58  -2.268  -6.011   0.293
  447   2HG2  ILE  58          2HG2      ILE  58  -0.776  -5.366   0.978
  448   3HG2  ILE  58          3HG2      ILE  58  -2.014  -6.039   2.038
  449   1HD1  ILE  58          1HD1      ILE  58   2.145  -8.066   2.466
  450   2HD1  ILE  58          2HD1      ILE  58   1.795  -7.208   0.971
  451   3HD1  ILE  58          3HD1      ILE  58   1.494  -8.936   1.081
  452    H    ARG  59           H        ARG  59  -4.161  -9.426   0.146
  453    HA   ARG  59           HA       ARG  59  -3.446  -9.226  -2.663
  454   1HB   ARG  59          1HB       ARG  59  -5.879 -10.666  -1.861
  455   2HB   ARG  59          1HB       ARG  59  -4.579 -11.138  -2.954
  456   1HG   ARG  59          1HG       ARG  59  -4.276 -12.571  -1.179
  457   2HG   ARG  59          1HG       ARG  59  -3.155 -11.293  -0.795
  458   1HD   ARG  59          1HD       ARG  59  -4.137 -11.158   1.182
  459   2HD   ARG  59          1HD       ARG  59  -5.556 -10.511   0.357
  460    HE   ARG  59           HE       ARG  59  -5.765 -13.248   0.181
  461   1HH1  ARG  59          1HH1      ARG  59  -5.567 -10.871   2.728
  462   2HH1  ARG  59          2HH1      ARG  59  -6.510 -11.802   3.842
  463   1HH2  ARG  59          1HH2      ARG  59  -7.007 -14.474   1.641
  464   2HH2  ARG  59          2HH2      ARG  59  -7.328 -13.850   3.225
  465    H    PHE  60           H        PHE  60  -5.614  -7.706  -0.553
  466    HA   PHE  60           HA       PHE  60  -6.718  -6.094  -2.672
  467   1HB   PHE  60          1HB       PHE  60  -8.473  -7.330  -0.550
  468   2HB   PHE  60          1HB       PHE  60  -8.985  -6.359  -1.923
  469    HD1  PHE  60          1HD       PHE  60  -9.427  -7.344  -4.005
  470    HD2  PHE  60          2HD       PHE  60  -7.641  -9.644  -0.911
  471    HE1  PHE  60          1HE       PHE  60  -9.834  -9.393  -5.295
  472    HE2  PHE  60          2HE       PHE  60  -8.040 -11.700  -2.204
  473    HZ   PHE  60           HZ       PHE  60  -9.140 -11.574  -4.401
  474    H    VAL  61           H        VAL  61  -7.321  -4.169  -2.061
  475    HA   VAL  61           HA       VAL  61  -6.299  -3.302   0.544
  476    HB   VAL  61           HB       VAL  61  -5.500  -1.421  -0.457
  477   1HG1  VAL  61          1HG1      VAL  61  -5.374  -3.353  -2.721
  478   2HG1  VAL  61          2HG1      VAL  61  -4.340  -3.392  -1.295
  479   3HG1  VAL  61          3HG1      VAL  61  -4.262  -2.023  -2.404
  480   1HG2  VAL  61          1HG2      VAL  61  -6.236  -0.601  -2.716
  481   2HG2  VAL  61          2HG2      VAL  61  -7.471  -0.530  -1.457
  482   3HG2  VAL  61          3HG2      VAL  61  -7.501  -1.827  -2.644
  483    H    TYR  62           H        TYR  62  -7.718  -2.465   1.950
  484    HA   TYR  62           HA       TYR  62 -10.331  -1.662   0.958
  485   1HB   TYR  62          1HB       TYR  62  -9.520  -2.600   3.702
  486   2HB   TYR  62          1HB       TYR  62 -11.154  -2.138   3.227
  487    HD1  TYR  62          1HD       TYR  62 -12.572  -3.875   2.760
  488    HD2  TYR  62          2HD       TYR  62  -8.432  -4.358   1.875
  489    HE1  TYR  62          1HE       TYR  62 -13.012  -6.145   1.930
  490    HE2  TYR  62          2HE       TYR  62  -8.865  -6.620   1.066
  491    HH   TYR  62           HH       TYR  62 -10.392  -8.198   0.682
  492    H    THR  63           H        THR  63 -10.544   0.328   0.660
  493    HA   THR  63           HA       THR  63  -9.530   2.353   2.561
  494    HB   THR  63           HB       THR  63  -8.776   3.358   0.644
  495    HG1  THR  63          1HG       THR  63 -10.856   4.441   1.083
  496   1HG2  THR  63          1HG2      THR  63 -10.717   2.237  -1.276
  497   2HG2  THR  63          2HG2      THR  63  -9.538   1.106  -0.599
  498   3HG2  THR  63          3HG2      THR  63  -8.988   2.542  -1.457
  499    HA   PRO  64           HA       PRO  64 -13.751   3.325   3.658
  500   1HB   PRO  64          1HB       PRO  64 -13.078   6.194   3.675
  501   2HB   PRO  64          1HB       PRO  64 -13.565   5.149   5.012
  502   1HG   PRO  64          1HG       PRO  64 -11.051   6.123   4.733
  503   2HG   PRO  64          1HG       PRO  64 -11.404   4.571   5.516
  504   1HD   PRO  64          1HD       PRO  64 -10.335   5.126   2.786
  505   2HD   PRO  64          1HD       PRO  64  -9.962   3.792   3.895
  506    H    ALA  65           H        ALA  65 -15.536   3.919   2.625
  507    HA   ALA  65           HA       ALA  65 -15.347   5.025  -0.016
  508   1HB   ALA  65          1HB       ALA  65 -17.202   3.107   1.264
  509   2HB   ALA  65          2HB       ALA  65 -16.344   2.979  -0.256
  510   3HB   ALA  65          3HB       ALA  65 -17.752   4.025  -0.130
  511    H    MET  66           H        MET  66 -15.320   7.283   0.875
  512    HA   MET  66           HA       MET  66 -18.075   8.182   1.254
  513   1HB   MET  66          1HB       MET  66 -15.855   9.108   3.076
  514   2HB   MET  66          1HB       MET  66 -17.551   9.550   3.164
  515   1HG   MET  66          1HG       MET  66 -17.909   7.865   4.540
  516   2HG   MET  66          1HG       MET  66 -17.429   6.737   3.280
  517   1HE   MET  66          1HE       MET  66 -15.453   7.579   7.151
  518   2HE   MET  66          2HE       MET  66 -17.014   8.109   6.522
  519   3HE   MET  66          3HE       MET  66 -15.566   9.065   6.208
  520    H    GLU  67           H        GLU  67 -18.257   9.301  -0.569
  521    HA   GLU  67           HA       GLU  67 -17.634  10.673  -2.344
  522   1HB   GLU  67          1HB       GLU  67 -17.845  12.464   0.073
  523   2HB   GLU  67          1HB       GLU  67 -17.955  13.016  -1.593
  524   1HG   GLU  67          1HG       GLU  67 -19.775  10.850  -0.679
  525   2HG   GLU  67          1HG       GLU  67 -20.098  12.507  -0.171
  526    H    SER  68           H        SER  68 -15.975  12.728  -0.012
  527    HA   SER  68           HA       SER  68 -13.536  12.446  -1.634
  528   1HB   SER  68          1HB       SER  68 -14.620  14.690  -1.658
  529   2HB   SER  68          1HB       SER  68 -14.363  14.797   0.083
  530    HG   SER  68           HG       SER  68 -12.548  15.679  -0.561
  531    H    VAL  69           H        VAL  69 -13.654  10.504   0.085
  532    HA   VAL  69           HA       VAL  69 -12.410  11.236   2.613
  533    HB   VAL  69           HB       VAL  69 -14.217   9.504   2.429
  534   1HG1  VAL  69          1HG1      VAL  69 -13.464   7.212   1.751
  535   2HG1  VAL  69          2HG1      VAL  69 -12.047   7.970   1.026
  536   3HG1  VAL  69          3HG1      VAL  69 -13.661   8.365   0.433
  537   1HG2  VAL  69          1HG2      VAL  69 -13.463   8.380   4.247
  538   2HG2  VAL  69          2HG2      VAL  69 -12.260   9.665   4.208
  539   3HG2  VAL  69          3HG2      VAL  69 -11.878   8.074   3.543
  540    H    CYS  70           H        CYS  70 -10.560   9.492   3.226
  541    HA   CYS  70           HA       CYS  70  -8.555   9.795   1.129
  542   1HB   CYS  70          1HB       CYS  70  -7.000   8.933   3.019
  543   2HB   CYS  70          1HB       CYS  70  -7.593  10.578   3.123
  544    H    GLY  71           H        GLY  71  -9.956   8.328   0.167
  545   1HA   GLY  71          2HA       GLY  71  -9.875   5.572   0.852
  546   2HA   GLY  71          1HA       GLY  71 -10.459   6.212  -0.680
  547    H    TYR  72           H        TYR  72  -9.242   5.948  -2.377
  548    HA   TYR  72           HA       TYR  72  -6.419   5.930  -2.313
  549   1HB   TYR  72          1HB       TYR  72  -7.014   3.668  -1.362
  550   2HB   TYR  72          1HB       TYR  72  -7.641   3.261  -2.957
  551    HD1  TYR  72          1HD       TYR  72  -6.219   2.348  -4.531
  552    HD2  TYR  72          2HD       TYR  72  -4.578   4.554  -1.291
  553    HE1  TYR  72          1HE       TYR  72  -3.959   1.771  -5.288
  554    HE2  TYR  72          2HE       TYR  72  -2.316   3.976  -2.032
  555    HH   TYR  72           HH       TYR  72  -1.598   1.578  -4.048
  556    H    PHE  73           H        PHE  73  -6.958   7.526  -3.951
  557    HA   PHE  73           HA       PHE  73  -8.297   6.778  -6.305
  558   1HB   PHE  73          1HB       PHE  73  -6.703   9.098  -5.441
  559   2HB   PHE  73          1HB       PHE  73  -6.733   8.813  -7.177
  560    HD1  PHE  73          1HD       PHE  73  -9.091   8.999  -4.280
  561    HD2  PHE  73          2HD       PHE  73  -8.407   9.785  -8.408
  562    HE1  PHE  73          1HE       PHE  73 -11.281  10.113  -4.430
  563    HE2  PHE  73          2HE       PHE  73 -10.593  10.899  -8.563
  564    HZ   PHE  73           HZ       PHE  73 -12.034  11.066  -6.572
  565    H    HIS  74           H        HIS  74  -7.573   4.932  -7.061
  566    HA   HIS  74           HA       HIS  74  -4.777   4.722  -7.878
  567   1HB   HIS  74          1HB       HIS  74  -5.355   2.769  -6.792
  568   2HB   HIS  74          1HB       HIS  74  -6.974   2.748  -7.457
  569    HD1  HIS  74          1HD       HIS  74  -7.280   0.904  -9.080
  570    HD2  HIS  74          2HD       HIS  74  -3.368   2.306  -9.065
  571    HE1  HIS  74          1HE       HIS  74  -6.044  -0.537 -10.729
  572    HE2  HIS  74          2HE       HIS  74  -3.697   0.382 -10.762
  573    H    ARG  75           H        ARG  75  -4.374   5.679  -9.685
  574    HA   ARG  75           HA       ARG  75  -6.069   5.153 -12.026
  575   1HB   ARG  75          1HB       ARG  75  -5.340   7.405 -12.851
  576   2HB   ARG  75          1HB       ARG  75  -6.358   7.461 -11.420
  577   1HG   ARG  75          1HG       ARG  75  -3.445   7.411 -10.939
  578   2HG   ARG  75          1HG       ARG  75  -4.092   8.869 -11.693
  579   1HD   ARG  75          1HD       ARG  75  -5.545   9.282  -9.874
  580   2HD   ARG  75          1HD       ARG  75  -5.287   7.672  -9.205
  581    HE   ARG  75           HE       ARG  75  -3.714   9.980  -8.715
  582   1HH1  ARG  75          1HH1      ARG  75  -3.444   6.538  -9.156
  583   2HH1  ARG  75          2HH1      ARG  75  -2.013   6.393  -8.203
  584   1HH2  ARG  75          1HH2      ARG  75  -1.816   9.794  -7.456
  585   2HH2  ARG  75          2HH2      ARG  75  -1.086   8.238  -7.240
  586    H    SER  76           H        SER  76  -3.767   3.654 -11.073
  587    HA   SER  76           HA       SER  76  -1.926   4.135 -13.323
  588   1HB   SER  76          1HB       SER  76  -1.341   3.354 -10.471
  589   2HB   SER  76          1HB       SER  76  -0.207   2.972 -11.767
  590    HG   SER  76           HG       SER  76   0.399   4.945 -11.020
  591    H    HIS  77           H        HIS  77  -4.127   2.546 -13.737
  592    HA   HIS  77           HA       HIS  77  -3.759  -0.185 -13.150
  593   1HB   HIS  77          1HB       HIS  77  -5.870   1.029 -14.017
  594   2HB   HIS  77          1HB       HIS  77  -5.187   0.743 -15.615
  595    HD1  HIS  77          1HD       HIS  77  -6.776  -1.023 -16.442
  596    HD2  HIS  77          2HD       HIS  77  -5.161  -1.930 -12.723
  597    HE1  HIS  77          1HE       HIS  77  -7.483  -3.388 -15.961
  598    HE2  HIS  77          2HE       HIS  77  -6.419  -3.944 -13.746
  599    H    ASN  78           H        ASN  78  -1.528  -0.457 -13.563
  600    HA   ASN  78           HA       ASN  78  -0.593  -0.465 -16.271
  601   1HB   ASN  78          1HB       ASN  78   0.669   0.184 -14.023
  602   2HB   ASN  78          1HB       ASN  78   0.994  -1.549 -13.992
  603   1HD2  ASN  78          1HD2      ASN  78   1.383   1.397 -15.857
  604   2HD2  ASN  78          2HD2      ASN  78   2.734   0.853 -16.785
  605    H    ARG  79           H        ARG  79   1.130  -2.552 -15.947
  606    HA   ARG  79           HA       ARG  79  -0.676  -4.855 -16.030
  607   1HB   ARG  79          1HB       ARG  79   1.545  -3.981 -17.832
  608   2HB   ARG  79          1HB       ARG  79   1.446  -5.705 -17.500
  609   1HG   ARG  79          1HG       ARG  79  -1.144  -4.693 -18.210
  610   2HG   ARG  79          1HG       ARG  79   0.052  -4.239 -19.428
  611   1HD   ARG  79          1HD       ARG  79  -0.729  -6.347 -20.112
  612   2HD   ARG  79          1HD       ARG  79   0.823  -6.667 -19.334
  613    HE   ARG  79           HE       ARG  79  -1.092  -6.901 -17.366
  614   1HH1  ARG  79          1HH1      ARG  79  -0.341  -8.484 -20.384
  615   2HH1  ARG  79          2HH1      ARG  79  -1.017 -10.001 -19.894
  616   1HH2  ARG  79          1HH2      ARG  79  -1.974  -8.879 -16.722
  617   2HH2  ARG  79          2HH2      ARG  79  -1.946 -10.226 -17.811
  618    H    SER  80           H        SER  80   2.362  -4.717 -16.372
  619    HA   SER  80           HA       SER  80   3.184  -6.467 -14.206
  620   1HB   SER  80          1HB       SER  80   4.468  -5.738 -16.697
  621   2HB   SER  80          1HB       SER  80   5.606  -5.785 -15.350
  622    HG   SER  80           HG       SER  80   4.385  -7.895 -14.897
  623    H    GLU  81           H        GLU  81   3.076  -2.909 -14.264
  624    HA   GLU  81           HA       GLU  81   5.416  -2.376 -13.087
  625   1HB   GLU  81          1HB       GLU  81   3.434  -0.988 -14.055
  626   2HB   GLU  81          1HB       GLU  81   2.987  -0.844 -12.368
  627   1HG   GLU  81          1HG       GLU  81   4.339   0.919 -12.363
  628   2HG   GLU  81          1HG       GLU  81   5.647  -0.263 -12.308
  629    H    GLU  82           H        GLU  82   6.301  -2.975 -11.244
  630    HA   GLU  82           HA       GLU  82   4.847  -3.869  -8.966
  631   1HB   GLU  82          1HB       GLU  82   7.711  -2.937  -8.946
  632   2HB   GLU  82          1HB       GLU  82   6.958  -4.162  -7.932
  633   1HG   GLU  82          1HG       GLU  82   7.629  -5.727  -9.337
  634   2HG   GLU  82          1HG       GLU  82   6.659  -4.994 -10.613
  635    H    PHE  83           H        PHE  83   4.213  -2.778  -7.190
  636    HA   PHE  83           HA       PHE  83   4.768   0.103  -7.099
  637   1HB   PHE  83          1HB       PHE  83   2.257  -1.387  -6.679
  638   2HB   PHE  83          1HB       PHE  83   2.538  -0.002  -5.639
  639    HD1  PHE  83          1HD       PHE  83   1.996   2.116  -6.383
  640    HD2  PHE  83          2HD       PHE  83   2.568  -0.998  -9.225
  641    HE1  PHE  83          1HE       PHE  83   1.254   3.622  -8.175
  642    HE2  PHE  83          2HE       PHE  83   1.826   0.503 -11.023
  643    HZ   PHE  83           HZ       PHE  83   1.171   2.817 -10.499
  644    H    LEU  84           H        LEU  84   4.134   1.002  -4.912
  645    HA   LEU  84           HA       LEU  84   5.450  -0.539  -2.741
  646   1HB   LEU  84          1HB       LEU  84   6.852   1.377  -3.581
  647   2HB   LEU  84          1HB       LEU  84   5.593   2.474  -3.061
  648    HG   LEU  84           HG       LEU  84   7.578   2.257  -1.526
  649   1HD1  LEU  84          1HD1      LEU  84   6.303   2.728   0.310
  650   2HD1  LEU  84          2HD1      LEU  84   5.132   1.455  -0.035
  651   3HD1  LEU  84          3HD1      LEU  84   5.115   2.947  -0.975
  652   1HD2  LEU  84          1HD2      LEU  84   7.588  -0.307  -1.819
  653   2HD2  LEU  84          2HD2      LEU  84   6.337  -0.294  -0.574
  654   3HD2  LEU  84          3HD2      LEU  84   7.933   0.372  -0.228
  655    H    ILE  85           H        ILE  85   4.125  -0.895  -1.028
  656    HA   ILE  85           HA       ILE  85   1.818   0.932  -0.714
  657    HB   ILE  85           HB       ILE  85   1.834  -2.088  -0.534
  658   1HG1  ILE  85          1HG1      ILE  85   1.863  -1.176  -2.819
  659   2HG1  ILE  85          1HG1      ILE  85   0.332  -1.971  -2.464
  660   1HG2  ILE  85          1HG2      ILE  85   0.330  -1.112   1.154
  661   2HG2  ILE  85          2HG2      ILE  85  -0.571  -1.932  -0.119
  662   3HG2  ILE  85          3HG2      ILE  85  -0.472  -0.171  -0.104
  663   1HD1  ILE  85          1HD1      ILE  85   0.290   0.859  -1.860
  664   2HD1  ILE  85          2HD1      ILE  85  -0.823  -0.109  -2.818
  665   3HD1  ILE  85          3HD1      ILE  85   0.651   0.526  -3.551
  666    H    ALA  86           H        ALA  86   2.021   1.950   1.069
  667    HA   ALA  86           HA       ALA  86   2.922   0.648   3.603
  668   1HB   ALA  86          1HB       ALA  86   4.191   2.612   3.488
  669   2HB   ALA  86          2HB       ALA  86   2.835   3.076   4.514
  670   3HB   ALA  86          3HB       ALA  86   2.859   3.547   2.822
  671    H    GLY  87           H        GLY  87   1.299  -0.079   4.824
  672   1HA   GLY  87          2HA       GLY  87  -0.952   1.425   5.641
  673   2HA   GLY  87          1HA       GLY  87  -1.449   0.315   4.376
  674    H    LYS  88           H        LYS  88  -2.265   0.356   7.212
  675    HA   LYS  88           HA       LYS  88  -1.029  -1.914   8.508
  676   1HB   LYS  88          1HB       LYS  88  -1.786  -0.044   9.865
  677   2HB   LYS  88          1HB       LYS  88  -3.396  -0.172   9.210
  678   1HG   LYS  88          1HG       LYS  88  -3.970  -1.916  10.560
  679   2HG   LYS  88          1HG       LYS  88  -2.318  -2.527  10.645
  680   1HD   LYS  88          1HD       LYS  88  -2.975  -1.649  12.800
  681   2HD   LYS  88          1HD       LYS  88  -1.708  -0.644  12.100
  682   1HE   LYS  88          1HE       LYS  88  -3.445   0.715  13.128
  683   2HE   LYS  88          1HE       LYS  88  -3.374   0.982  11.387
  684   1HZ   LYS  88          1HZ       LYS  88  -5.404   0.090  11.080
  685   2HZ   LYS  88          2HZ       LYS  88  -5.629   0.526  12.698
  686   3HZ   LYS  88          3HZ       LYS  88  -5.223  -1.067  12.302
  687    H    LEU  89           H        LEU  89  -2.549  -3.731   9.382
  688    HA   LEU  89           HA       LEU  89  -4.467  -4.454   7.264
  689   1HB   LEU  89          1HB       LEU  89  -2.389  -6.051   8.623
  690   2HB   LEU  89          1HB       LEU  89  -3.922  -6.857   8.380
  691    HG   LEU  89           HG       LEU  89  -2.101  -5.735   6.246
  692   1HD1  LEU  89          1HD1      LEU  89  -1.706  -8.036   7.393
  693   2HD1  LEU  89          2HD1      LEU  89  -1.680  -7.940   5.632
  694   3HD1  LEU  89          3HD1      LEU  89  -3.112  -8.548   6.462
  695   1HD2  LEU  89          1HD2      LEU  89  -3.751  -5.739   4.769
  696   2HD2  LEU  89          2HD2      LEU  89  -4.856  -5.828   6.138
  697   3HD2  LEU  89          3HD2      LEU  89  -4.342  -7.297   5.323
  698    H    GLN  90           H        GLN  90  -6.453  -4.728   7.795
  699    HA   GLN  90           HA       GLN  90  -7.208  -4.882  10.624
  700   1HB   GLN  90          1HB       GLN  90  -8.538  -3.767   8.242
  701   2HB   GLN  90          1HB       GLN  90  -9.597  -4.536   9.416
  702   1HG   GLN  90          1HG       GLN  90  -7.582  -2.668  10.498
  703   2HG   GLN  90          1HG       GLN  90  -8.874  -1.955   9.535
  704   1HE2  GLN  90          1HE2      GLN  90 -10.915  -1.860  10.350
  705   2HE2  GLN  90          2HE2      GLN  90 -11.326  -2.330  11.962
  706    H    ASP  91           H        ASP  91  -7.554  -6.804  11.455
  707    HA   ASP  91           HA       ASP  91  -7.804  -9.105  11.504
  708   1HB   ASP  91          1HB       ASP  91 -10.335  -7.849  10.543
  709   2HB   ASP  91          1HB       ASP  91 -10.243  -9.607  10.630
  710    H    GLY  92           H        GLY  92  -6.533  -8.177   8.988
  711   1HA   GLY  92          2HA       GLY  92  -5.798 -10.118   7.536
  712   2HA   GLY  92          1HA       GLY  92  -7.513 -10.286   7.179
  713    H    LEU  93           H        LEU  93  -8.445  -7.966   6.726
  714    HA   LEU  93           HA       LEU  93  -7.572  -7.341   4.163
  715   1HB   LEU  93          1HB       LEU  93  -9.513  -5.920   5.979
  716   2HB   LEU  93          1HB       LEU  93  -9.348  -5.605   4.264
  717    HG   LEU  93           HG       LEU  93 -11.224  -6.965   4.394
  718   1HD1  LEU  93          1HD1      LEU  93  -9.025  -7.904   3.090
  719   2HD1  LEU  93          2HD1      LEU  93 -10.658  -8.548   2.934
  720   3HD1  LEU  93          3HD1      LEU  93  -9.515  -9.304   4.042
  721   1HD2  LEU  93          1HD2      LEU  93 -11.602  -8.735   5.859
  722   2HD2  LEU  93          2HD2      LEU  93 -10.697  -7.579   6.835
  723   3HD2  LEU  93          3HD2      LEU  93  -9.882  -8.988   6.152
  724    H    LEU  94           H        LEU  94  -6.461  -5.809   3.305
  725    HA   LEU  94           HA       LEU  94  -4.790  -4.140   4.905
  726   1HB   LEU  94          1HB       LEU  94  -4.048  -5.174   2.785
  727   2HB   LEU  94          1HB       LEU  94  -5.199  -4.178   1.917
  728    HG   LEU  94           HG       LEU  94  -3.991  -2.157   2.618
  729   1HD1  LEU  94          1HD1      LEU  94  -2.049  -4.085   3.885
  730   2HD1  LEU  94          2HD1      LEU  94  -3.117  -2.976   4.741
  731   3HD1  LEU  94          3HD1      LEU  94  -1.824  -2.343   3.725
  732   1HD2  LEU  94          1HD2      LEU  94  -2.969  -4.237   0.896
  733   2HD2  LEU  94          2HD2      LEU  94  -1.662  -3.247   1.546
  734   3HD2  LEU  94          3HD2      LEU  94  -2.988  -2.492   0.661
  735    H    HIS  95           H        HIS  95  -4.640  -1.874   4.742
  736    HA   HIS  95           HA       HIS  95  -7.076  -0.539   3.842
  737   1HB   HIS  95          1HB       HIS  95  -5.916  -0.331   6.612
  738   2HB   HIS  95          1HB       HIS  95  -6.956   0.915   5.929
  739    HD1  HIS  95          1HD       HIS  95  -9.199   0.668   6.906
  740    HD2  HIS  95          2HD       HIS  95  -7.493  -3.027   6.057
  741    HE1  HIS  95          1HE       HIS  95 -10.958  -1.037   7.471
  742    HE2  HIS  95          2HE       HIS  95  -9.928  -3.256   6.881
  743    H    ILE  96           H        ILE  96  -6.755   1.414   2.952
  744    HA   ILE  96           HA       ILE  96  -4.090   2.615   3.179
  745    HB   ILE  96           HB       ILE  96  -3.843   2.891   0.780
  746   1HG1  ILE  96          1HG1      ILE  96  -6.291   2.845   0.254
  747   2HG1  ILE  96          1HG1      ILE  96  -5.301   1.874  -0.828
  748   1HG2  ILE  96          1HG2      ILE  96  -3.802   0.282   0.248
  749   2HG2  ILE  96          2HG2      ILE  96  -3.993   0.204   1.997
  750   3HG2  ILE  96          3HG2      ILE  96  -2.623   1.064   1.297
  751   1HD1  ILE  96          1HD1      ILE  96  -7.551   0.958   0.101
  752   2HD1  ILE  96          2HD1      ILE  96  -6.576   0.560   1.510
  753   3HD1  ILE  96          3HD1      ILE  96  -6.150  -0.083  -0.054
  754    H    THR  97           H        THR  97  -3.963   4.776   2.436
  755    HA   THR  97           HA       THR  97  -6.464   6.140   1.883
  756    HB   THR  97           HB       THR  97  -5.828   7.813   3.728
  757    HG1  THR  97          1HG       THR  97  -3.944   7.333   4.536
  758   1HG2  THR  97          1HG2      THR  97  -7.418   5.558   3.849
  759   2HG2  THR  97          2HG2      THR  97  -7.389   6.889   5.002
  760   3HG2  THR  97          3HG2      THR  97  -6.408   5.456   5.289
  761    H    THR  98           H        THR  98  -6.176   8.175   0.920
  762    HA   THR  98           HA       THR  98  -3.800   8.408  -0.592
  763    HB   THR  98           HB       THR  98  -5.509   9.306  -1.787
  764    HG1  THR  98          1HG       THR  98  -4.812  11.236  -2.145
  765   1HG2  THR  98          1HG2      THR  98  -7.186  10.921  -0.862
  766   2HG2  THR  98          2HG2      THR  98  -6.578  10.502   0.741
  767   3HG2  THR  98          3HG2      THR  98  -7.301   9.259  -0.284
  768    H    CYS  99           H        CYS  99  -4.144   9.011   2.601
  769    HA   CYS  99           HA       CYS  99  -2.130  11.145   2.552
  770   1HB   CYS  99          1HB       CYS  99  -4.061  12.008   3.668
  771   2HB   CYS  99          1HB       CYS  99  -4.252  10.557   4.628
  772    H    SER 100           H        SER 100  -1.974   8.178   2.307
  773    HA   SER 100           HA       SER 100  -0.152   7.628   4.555
  774   1HB   SER 100          1HB       SER 100  -2.354   6.073   3.571
  775   2HB   SER 100          1HB       SER 100  -0.868   5.218   3.160
  776    HG   SER 100           HG       SER 100  -1.061   6.241   5.744
  777    H    PHE 101           H        PHE 101   1.835   6.430   3.878
  778    HA   PHE 101           HA       PHE 101   2.815   7.481   1.443
  779   1HB   PHE 101          1HB       PHE 101   4.189   6.965   3.462
  780   2HB   PHE 101          1HB       PHE 101   4.086   5.263   3.023
  781    HD1  PHE 101          1HD       PHE 101   5.043   4.543   0.805
  782    HD2  PHE 101          2HD       PHE 101   5.724   8.396   2.472
  783    HE1  PHE 101          1HE       PHE 101   6.981   4.840  -0.682
  784    HE2  PHE 101          2HE       PHE 101   7.662   8.702   0.990
  785    HZ   PHE 101           HZ       PHE 101   8.294   6.922  -0.590
  786    H    VAL 102           H        VAL 102   1.932   6.747  -0.477
  787    HA   VAL 102           HA       VAL 102   2.228   3.889  -1.031
  788    HB   VAL 102           HB       VAL 102  -0.397   5.226  -1.652
  789   1HG1  VAL 102          1HG1      VAL 102  -0.926   2.620  -1.544
  790   2HG1  VAL 102          2HG1      VAL 102   0.788   2.544  -1.962
  791   3HG1  VAL 102          3HG1      VAL 102  -0.331   3.420  -2.999
  792   1HG2  VAL 102          1HG2      VAL 102   0.488   4.364   0.930
  793   2HG2  VAL 102          2HG2      VAL 102  -0.783   3.291   0.369
  794   3HG2  VAL 102          3HG2      VAL 102  -1.070   5.028   0.459
  795    H    ALA 103           H        ALA 103   3.598   4.028  -2.747
  796    HA   ALA 103           HA       ALA 103   2.550   5.178  -5.214
  797   1HB   ALA 103          1HB       ALA 103   4.455   6.600  -3.606
  798   2HB   ALA 103          2HB       ALA 103   3.629   7.106  -5.079
  799   3HB   ALA 103          3HB       ALA 103   5.145   6.214  -5.182
  800    HA   PRO 104           HA       PRO 104   4.791   2.171  -7.620
  801   1HB   PRO 104          1HB       PRO 104   6.427   4.326  -8.819
  802   2HB   PRO 104          1HB       PRO 104   5.487   3.057  -9.608
  803   1HG   PRO 104          1HG       PRO 104   4.592   5.565  -9.534
  804   2HG   PRO 104          1HG       PRO 104   3.469   4.213  -9.305
  805   1HD   PRO 104          1HD       PRO 104   4.610   6.095  -7.280
  806   2HD   PRO 104          1HD       PRO 104   3.000   5.352  -7.350
  807    H    TRP 105           H        TRP 105   6.311   0.863  -6.920
  808    HA   TRP 105           HA       TRP 105   8.597   1.445  -5.482
  809   1HB   TRP 105          1HB       TRP 105   7.613  -0.820  -6.129
  810   2HB   TRP 105          1HB       TRP 105   8.334  -0.609  -7.695
  811    HD1  TRP 105           HD       TRP 105  10.346  -2.093  -7.893
  812    HE1  TRP 105          1HE       TRP 105  12.263  -2.812  -6.358
  813    HE3  TRP 105          3HE       TRP 105   8.959   0.404  -3.675
  814    HZ2  TRP 105          2HZ       TRP 105  13.088  -2.382  -3.670
  815    HZ3  TRP 105          3HZ       TRP 105  10.365   0.212  -1.668
  816    HH2  TRP 105           HH       TRP 105  12.385  -1.150  -1.692
  817    H    ASN 106           H        ASN 106   8.114   0.897  -8.880
  818    HA   ASN 106           HA       ASN 106  10.477   1.383  -9.894
  819   1HB   ASN 106          1HB       ASN 106   7.829   1.947 -11.118
  820   2HB   ASN 106          1HB       ASN 106   9.331   2.031 -12.038
  821   1HD2  ASN 106          1HD2      ASN 106  10.475   0.143 -12.468
  822   2HD2  ASN 106          2HD2      ASN 106   9.786  -1.427 -12.252
  823    H    SER 107           H        SER 107   8.598   3.773  -8.472
  824    HA   SER 107           HA       SER 107  10.085   5.917  -9.777
  825   1HB   SER 107          1HB       SER 107   7.641   5.881  -8.045
  826   2HB   SER 107          1HB       SER 107   8.531   7.383  -8.294
  827    HG   SER 107           HG       SER 107   8.197   6.252 -10.669
  828    H    LEU 108           H        LEU 108  10.629   3.947  -7.397
  829    HA   LEU 108           HA       LEU 108  11.699   5.796  -5.454
  830   1HB   LEU 108          1HB       LEU 108  11.096   2.952  -5.595
  831   2HB   LEU 108          1HB       LEU 108  12.458   3.360  -4.568
  832    HG   LEU 108           HG       LEU 108  11.003   4.909  -3.301
  833   1HD1  LEU 108          1HD1      LEU 108   8.439   4.050  -3.964
  834   2HD1  LEU 108          2HD1      LEU 108   9.217   4.407  -5.506
  835   3HD1  LEU 108          3HD1      LEU 108   9.140   5.643  -4.250
  836   1HD2  LEU 108          1HD2      LEU 108  11.332   2.529  -2.650
  837   2HD2  LEU 108          2HD2      LEU 108   9.823   2.151  -3.478
  838   3HD2  LEU 108          3HD2      LEU 108   9.814   3.230  -2.087
  839    H    SER 109           H        SER 109  13.689   5.811  -4.703
  840    HA   SER 109           HA       SER 109  15.844   5.731  -6.633
  841   1HB   SER 109          1HB       SER 109  16.366   6.058  -3.705
  842   2HB   SER 109          1HB       SER 109  17.136   6.850  -5.072
  843    HG   SER 109           HG       SER 109  15.304   8.119  -5.330
  844    H    LEU 110           H        LEU 110  16.912   4.076  -7.167
  845    HA   LEU 110           HA       LEU 110  16.883   1.539  -6.424
  846   1HB   LEU 110          1HB       LEU 110  19.438   1.582  -6.880
  847   2HB   LEU 110          1HB       LEU 110  18.315   2.011  -8.120
  848    HG   LEU 110           HG       LEU 110  20.536   3.469  -7.269
  849   1HD1  LEU 110          1HD1      LEU 110  19.360   5.136  -8.986
  850   2HD1  LEU 110          2HD1      LEU 110  18.456   3.659  -9.321
  851   3HD1  LEU 110          3HD1      LEU 110  20.214   3.671  -9.472
  852   1HD2  LEU 110          1HD2      LEU 110  18.067   4.704  -6.268
  853   2HD2  LEU 110          2HD2      LEU 110  19.187   5.739  -7.119
  854   3HD2  LEU 110          3HD2      LEU 110  19.719   4.848  -5.695
  855    H    ALA 111           H        ALA 111  18.430   4.071  -4.564
  856    HA   ALA 111           HA       ALA 111  19.548   2.267  -2.617
  857   1HB   ALA 111          1HB       ALA 111  20.776   4.043  -1.941
  858   2HB   ALA 111          2HB       ALA 111  19.392   5.139  -2.022
  859   3HB   ALA 111          3HB       ALA 111  20.274   4.714  -3.497
  860    H    GLN 112           H        GLN 112  16.852   4.474  -3.009
  861    HA   GLN 112           HA       GLN 112  15.890   3.922  -0.351
  862   1HB   GLN 112          1HB       GLN 112  15.693   6.188  -1.261
  863   2HB   GLN 112          1HB       GLN 112  14.796   5.574  -2.641
  864   1HG   GLN 112          1HG       GLN 112  12.936   5.023  -1.286
  865   2HG   GLN 112          1HG       GLN 112  13.849   5.325   0.193
  866   1HE2  GLN 112          1HE2      GLN 112  11.643   6.634   0.234
  867   2HE2  GLN 112          2HE2      GLN 112  11.811   8.293  -0.208
  868    H    ARG 113           H        ARG 113  16.061   2.342  -3.139
  869    HA   ARG 113           HA       ARG 113  13.442   1.127  -2.959
  870   1HB   ARG 113          1HB       ARG 113  15.432   1.341  -5.013
  871   2HB   ARG 113          1HB       ARG 113  15.177  -0.362  -4.637
  872   1HG   ARG 113          1HG       ARG 113  12.691   0.183  -4.832
  873   2HG   ARG 113          1HG       ARG 113  13.216   1.655  -5.635
  874   1HD   ARG 113          1HD       ARG 113  12.703  -0.181  -7.185
  875   2HD   ARG 113          1HD       ARG 113  14.369   0.412  -7.300
  876    HE   ARG 113           HE       ARG 113  13.994  -1.892  -5.590
  877   1HH1  ARG 113          1HH1      ARG 113  14.725  -0.756  -8.807
  878   2HH1  ARG 113          2HH1      ARG 113  15.505  -2.225  -9.287
  879   1HH2  ARG 113          1HH2      ARG 113  15.015  -3.836  -6.224
  880   2HH2  ARG 113          2HH2      ARG 113  15.668  -3.973  -7.823
  881    H    ARG 114           H        ARG 114  16.939   0.496  -2.623
  882    HA   ARG 114           HA       ARG 114  16.517  -1.992  -1.368
  883   1HB   ARG 114          1HB       ARG 114  18.757  -1.963  -0.585
  884   2HB   ARG 114          1HB       ARG 114  18.783  -1.235  -2.185
  885   1HG   ARG 114          1HG       ARG 114  20.166   0.137  -0.985
  886   2HG   ARG 114          1HG       ARG 114  18.630   0.983  -0.847
  887   1HD   ARG 114          1HD       ARG 114  18.341  -0.455   1.314
  888   2HD   ARG 114          1HD       ARG 114  20.082  -0.650   1.171
  889    HE   ARG 114           HE       ARG 114  18.674   1.789   1.848
  890   1HH1  ARG 114          1HH1      ARG 114  21.685   0.299   0.905
  891   2HH1  ARG 114          2HH1      ARG 114  22.659   1.589   1.517
  892   1HH2  ARG 114          1HH2      ARG 114  19.957   3.499   2.634
  893   2HH2  ARG 114          2HH2      ARG 114  21.681   3.410   2.489
  894    H    GLY 115           H        GLY 115  16.921   1.294  -0.155
  895   1HA   GLY 115          2HA       GLY 115  16.921   0.931   2.527
  896   2HA   GLY 115          1HA       GLY 115  16.059   2.248   1.764
  897    H    PHE 116           H        PHE 116  13.998   0.781   0.451
  898    HA   PHE 116           HA       PHE 116  12.500   0.228   2.837
  899   1HB   PHE 116          1HB       PHE 116  11.755   0.256  -0.082
  900   2HB   PHE 116          1HB       PHE 116  10.657  -0.442   1.098
  901    HD1  PHE 116          1HD       PHE 116  12.465   2.655   0.237
  902    HD2  PHE 116          2HD       PHE 116   9.189   0.907   2.288
  903    HE1  PHE 116          1HE       PHE 116  11.539   4.887   0.631
  904    HE2  PHE 116          2HE       PHE 116   8.247   3.143   2.699
  905    HZ   PHE 116           HZ       PHE 116   9.421   5.137   1.861
  906    H    THR 117           H        THR 117  14.339  -1.583   0.731
  907    HA   THR 117           HA       THR 117  12.941  -4.062   1.258
  908    HB   THR 117           HB       THR 117  14.098  -3.454  -0.984
  909    HG1  THR 117          1HG       THR 117  13.374  -5.657  -0.022
  910   1HG2  THR 117          1HG2      THR 117  16.272  -2.931  -0.469
  911   2HG2  THR 117          2HG2      THR 117  16.390  -4.578  -1.049
  912   3HG2  THR 117          3HG2      THR 117  16.449  -4.240   0.680
  913    H    LYS 118           H        LYS 118  15.457  -2.165   2.535
  914    HA   LYS 118           HA       LYS 118  16.092  -4.335   4.404
  915   1HB   LYS 118          1HB       LYS 118  18.106  -4.566   3.491
  916   2HB   LYS 118          1HB       LYS 118  17.742  -3.305   2.330
  917   1HG   LYS 118          1HG       LYS 118  18.776  -1.665   3.619
  918   2HG   LYS 118          1HG       LYS 118  18.749  -2.656   5.079
  919   1HD   LYS 118          1HD       LYS 118  20.900  -3.070   4.545
  920   2HD   LYS 118          1HD       LYS 118  20.195  -4.238   3.426
  921   1HE   LYS 118          1HE       LYS 118  21.211  -3.159   1.775
  922   2HE   LYS 118          1HE       LYS 118  20.127  -1.812   2.082
  923   1HZ   LYS 118          1HZ       LYS 118  22.237  -0.888   2.211
  924   2HZ   LYS 118          2HZ       LYS 118  22.883  -2.198   3.056
  925   3HZ   LYS 118          3HZ       LYS 118  21.826  -1.128   3.832
  926    H    THR 119           H        THR 119  16.483  -0.928   3.712
  927    HA   THR 119           HA       THR 119  17.466  -0.358   6.347
  928    HB   THR 119           HB       THR 119  17.061   1.881   4.593
  929    HG1  THR 119          1HG       THR 119  17.453   0.876   2.815
  930   1HG2  THR 119          1HG2      THR 119  19.186   2.335   5.210
  931   2HG2  THR 119          2HG2      THR 119  19.740   0.739   4.686
  932   3HG2  THR 119          3HG2      THR 119  19.066   0.955   6.307
  933    H    TYR 120           H        TYR 120  14.244   0.381   4.924
  934    HA   TYR 120           HA       TYR 120  14.128   2.559   6.831
  935   1HB   TYR 120          1HB       TYR 120  12.484   1.795   4.460
  936   2HB   TYR 120          1HB       TYR 120  11.921   2.952   5.636
  937    HD1  TYR 120          1HD       TYR 120  14.393   2.361   3.034
  938    HD2  TYR 120          2HD       TYR 120  12.909   5.132   5.870
  939    HE1  TYR 120          1HE       TYR 120  15.670   4.143   1.929
  940    HE2  TYR 120          2HE       TYR 120  14.174   6.925   4.784
  941    HH   TYR 120           HH       TYR 120  15.332   6.831   1.809
  942    H    THR 121           H        THR 121  13.859  -0.366   7.569
  943    HA   THR 121           HA       THR 121  11.197  -0.274   8.782
  944    HB   THR 121           HB       THR 121  11.019  -2.406   8.247
  945    HG1  THR 121          1HG       THR 121  12.577  -3.935   9.176
  946   1HG2  THR 121          1HG2      THR 121  13.048  -1.686   6.617
  947   2HG2  THR 121          2HG2      THR 121  12.262  -3.260   6.607
  948   3HG2  THR 121          3HG2      THR 121  13.772  -3.035   7.490
  949    H    VAL 122           H        VAL 122  14.358  -0.123   9.363
  950    HA   VAL 122           HA       VAL 122  14.102  -0.070  12.316
  951    HB   VAL 122           HB       VAL 122  16.739  -0.759  11.068
  952   1HG1  VAL 122          1HG1      VAL 122  15.623  -1.622  13.722
  953   2HG1  VAL 122          2HG1      VAL 122  16.417  -0.062  13.502
  954   3HG1  VAL 122          3HG1      VAL 122  17.309  -1.554  13.204
  955   1HG2  VAL 122          1HG2      VAL 122  15.251  -2.427  10.171
  956   2HG2  VAL 122          2HG2      VAL 122  14.537  -2.702  11.759
  957   3HG2  VAL 122          3HG2      VAL 122  16.214  -3.156  11.455
  958    H    GLY 123           H        GLY 123  15.406   1.359   9.440
  959   1HA   GLY 123          2HA       GLY 123  16.327   3.660  11.036
  960   2HA   GLY 123          1HA       GLY 123  17.162   3.103   9.584
  961    H    CYS 124           H        CYS 124  13.748   3.175  10.060
  962    HA   CYS 124           HA       CYS 124  13.058   4.310   7.629
  963   1HB   CYS 124          1HB       CYS 124  10.839   4.693   8.732
  964   2HB   CYS 124          1HB       CYS 124  11.508   3.079   8.914
  965    H    GLU 125           H        GLU 125  14.812   6.082   7.825
  966    HA   GLU 125           HA       GLU 125  13.459   8.531   8.742
  967   1HB   GLU 125          1HB       GLU 125  16.123   9.181   8.884
  968   2HB   GLU 125          1HB       GLU 125  15.119   8.712  10.251
  969   1HG   GLU 125          1HG       GLU 125  15.759   6.336   9.762
  970   2HG   GLU 125          1HG       GLU 125  16.959   6.982   8.640
  971    H    GLU 126           H        GLU 126  12.702   8.476   6.499
  972    HA   GLU 126           HA       GLU 126  14.106   8.553   4.216
  973   1HB   GLU 126          1HB       GLU 126  12.392  10.122   3.338
  974   2HB   GLU 126          1HB       GLU 126  11.748   8.742   4.207
  975   1HG   GLU 126          1HG       GLU 126  10.569  10.118   5.464
  976   2HG   GLU 126          1HG       GLU 126  12.068  10.765   6.116
  Start of MODEL    7
    1   1H    CYS   1          1HT       CYS   1  -8.636  16.161   2.452
    2   2H    CYS   1          2HT       CYS   1  -8.290  16.761   4.019
    3   3H    CYS   1          3HT       CYS   1  -9.728  15.871   3.737
    4    HA   CYS   1           HA       CYS   1  -7.645  14.805   4.815
    5   1HB   CYS   1          1HB       CYS   1  -8.999  13.043   4.650
    6   2HB   CYS   1          1HB       CYS   1  -9.978  13.942   3.507
    7    H    THR   2           H        THR   2  -7.935  15.026   1.287
    8    HA   THR   2           HA       THR   2  -5.784  13.426   0.666
    9    HB   THR   2           HB       THR   2  -5.722  14.594  -1.511
   10    HG1  THR   2          1HG       THR   2  -6.040  16.700  -0.967
   11   1HG2  THR   2          1HG2      THR   2  -7.442  13.254  -1.934
   12   2HG2  THR   2          2HG2      THR   2  -8.459  14.669  -1.663
   13   3HG2  THR   2          3HG2      THR   2  -8.160  13.532  -0.348
   14    H    CYS   3           H        CYS   3  -3.982  13.709   1.866
   15    HA   CYS   3           HA       CYS   3  -2.759  16.363   1.981
   16   1HB   CYS   3          1HB       CYS   3  -1.936  15.781   4.008
   17   2HB   CYS   3          1HB       CYS   3  -3.205  14.589   3.964
   18    H    VAL   4           H        VAL   4  -0.165  15.892   2.328
   19    HA   VAL   4           HA       VAL   4   0.656  14.889  -0.286
   20    HB   VAL   4           HB       VAL   4   1.353  17.119   0.088
   21   1HG1  VAL   4          1HG1      VAL   4   3.020  17.434   2.136
   22   2HG1  VAL   4          2HG1      VAL   4   2.021  16.141   2.802
   23   3HG1  VAL   4          3HG1      VAL   4   1.278  17.658   2.292
   24   1HG2  VAL   4          1HG2      VAL   4   3.588  15.150   0.352
   25   2HG2  VAL   4          2HG2      VAL   4   3.907  16.882   0.306
   26   3HG2  VAL   4          3HG2      VAL   4   3.092  16.102  -1.048
   27    HA   PRO   5           HA       PRO   5   2.501  11.098   0.984
   28   1HB   PRO   5          1HB       PRO   5   4.949  12.295  -0.277
   29   2HB   PRO   5          1HB       PRO   5   4.316  10.646  -0.406
   30   1HG   PRO   5          1HG       PRO   5   3.842  12.350  -2.358
   31   2HG   PRO   5          1HG       PRO   5   2.531  11.306  -1.775
   32   1HD   PRO   5          1HD       PRO   5   2.990  14.207  -1.308
   33   2HD   PRO   5          1HD       PRO   5   1.459  13.340  -1.473
   34    HA   PRO   6           HA       PRO   6   4.498  12.716   4.711
   35   1HB   PRO   6          1HB       PRO   6   3.469  10.505   6.162
   36   2HB   PRO   6          1HB       PRO   6   2.881  12.167   6.159
   37   1HG   PRO   6          1HG       PRO   6   1.507   9.982   5.146
   38   2HG   PRO   6          1HG       PRO   6   1.177  11.676   4.748
   39   1HD   PRO   6          1HD       PRO   6   2.693   9.621   3.200
   40   2HD   PRO   6          1HD       PRO   6   1.634  10.925   2.622
   41    H    HIS   7           H        HIS   7   6.428  12.390   5.492
   42    HA   HIS   7           HA       HIS   7   8.340  10.870   4.605
   43   1HB   HIS   7          1HB       HIS   7   9.240  10.698   7.006
   44   2HB   HIS   7          1HB       HIS   7   8.986  12.285   6.308
   45    HD1  HIS   7          1HD       HIS   7   6.003  12.735   6.942
   46    HD2  HIS   7          2HD       HIS   7   8.728  11.117   9.624
   47    HE1  HIS   7          1HE       HIS   7   5.041  13.161   9.216
   48    HE2  HIS   7          2HE       HIS   7   6.715  12.189  10.825
   49    HA   PRO   8           HA       PRO   8   7.221   6.596   5.001
   50   1HB   PRO   8          1HB       PRO   8   9.490   5.578   4.038
   51   2HB   PRO   8          1HB       PRO   8   8.333   6.403   2.981
   52   1HG   PRO   8          1HG       PRO   8  10.748   7.512   4.333
   53   2HG   PRO   8          1HG       PRO   8  10.330   7.609   2.614
   54   1HD   PRO   8          1HD       PRO   8   9.824   9.641   4.277
   55   2HD   PRO   8          1HD       PRO   8   8.655   9.192   3.018
   56    H    GLN   9           H        GLN   9   9.551   8.377   6.705
   57    HA   GLN   9           HA       GLN   9  10.697   6.200   8.140
   58   1HB   GLN   9          1HB       GLN   9  11.457   7.971   9.715
   59   2HB   GLN   9          1HB       GLN   9  11.911   8.300   8.057
   60   1HG   GLN   9          1HG       GLN   9  10.564  10.102   7.891
   61   2HG   GLN   9          1HG       GLN   9   9.395   9.477   9.055
   62   1HE2  GLN   9          1HE2      GLN   9  12.097  11.470   8.554
   63   2HE2  GLN   9          2HE2      GLN   9  12.354  11.946  10.195
   64    H    THR  10           H        THR  10   7.862   8.259   8.317
   65    HA   THR  10           HA       THR  10   7.064   7.150  10.859
   66    HB   THR  10           HB       THR  10   6.475   9.542   9.234
   67    HG1  THR  10          1HG       THR  10   7.470   9.904  11.115
   68   1HG2  THR  10          1HG2      THR  10   4.239   7.948  10.018
   69   2HG2  THR  10          2HG2      THR  10   4.284   9.496   9.166
   70   3HG2  THR  10          3HG2      THR  10   4.267   9.455  10.933
   71    H    ALA  11           H        ALA  11   6.155   7.464   7.395
   72    HA   ALA  11           HA       ALA  11   3.773   6.016   7.439
   73   1HB   ALA  11          1HB       ALA  11   4.157   7.215   5.523
   74   2HB   ALA  11          2HB       ALA  11   4.425   5.550   5.009
   75   3HB   ALA  11          3HB       ALA  11   5.795   6.602   5.341
   76    H    PHE  12           H        PHE  12   7.149   4.881   7.019
   77    HA   PHE  12           HA       PHE  12   6.333   2.187   6.577
   78   1HB   PHE  12          1HB       PHE  12   8.694   3.336   6.166
   79   2HB   PHE  12          1HB       PHE  12   9.005   2.763   7.801
   80    HD1  PHE  12          1HD       PHE  12   9.569   1.975   4.551
   81    HD2  PHE  12          2HD       PHE  12   7.965   0.209   8.073
   82    HE1  PHE  12          1HE       PHE  12  10.084  -0.263   3.661
   83    HE2  PHE  12          2HE       PHE  12   8.482  -2.027   7.187
   84    HZ   PHE  12           HZ       PHE  12   9.543  -2.259   4.978
   85    H    CYS  13           H        CYS  13   8.020   3.613   9.396
   86    HA   CYS  13           HA       CYS  13   7.655   1.537  11.116
   87   1HB   CYS  13          1HB       CYS  13   8.819   4.105  11.107
   88   2HB   CYS  13          1HB       CYS  13   7.784   4.032  12.521
   89    H    ASN  14           H        ASN  14   5.089   3.927  10.309
   90    HA   ASN  14           HA       ASN  14   3.870   3.283  12.874
   91   1HB   ASN  14          1HB       ASN  14   3.686   5.512  10.973
   92   2HB   ASN  14          1HB       ASN  14   2.112   4.897  11.455
   93   1HD2  ASN  14          1HD2      ASN  14   4.863   6.694  12.375
   94   2HD2  ASN  14          2HD2      ASN  14   4.334   7.123  13.962
   95    H    SER  15           H        SER  15   3.597   2.788   9.395
   96    HA   SER  15           HA       SER  15   1.043   1.709   9.355
   97   1HB   SER  15          1HB       SER  15   3.145   2.316   7.532
   98   2HB   SER  15          1HB       SER  15   2.522   0.732   7.179
   99    HG   SER  15           HG       SER  15   1.322   3.221   6.955
  100    H    ASP  16           H        ASP  16   0.443  -0.175   9.233
  101    HA   ASP  16           HA       ASP  16   2.049  -2.288  10.312
  102   1HB   ASP  16          1HB       ASP  16  -0.757  -1.560  10.373
  103   2HB   ASP  16          1HB       ASP  16  -0.436  -3.294  10.392
  104    H    LEU  17           H        LEU  17   1.536  -1.400   7.373
  105    HA   LEU  17           HA       LEU  17   2.127  -3.997   6.375
  106   1HB   LEU  17          1HB       LEU  17  -0.609  -3.035   5.999
  107   2HB   LEU  17          1HB       LEU  17   0.190  -3.463   4.494
  108    HG   LEU  17           HG       LEU  17  -0.114  -5.266   6.896
  109   1HD1  LEU  17          1HD1      LEU  17  -1.365  -5.519   4.169
  110   2HD1  LEU  17          2HD1      LEU  17  -2.184  -4.847   5.573
  111   3HD1  LEU  17          3HD1      LEU  17  -1.656  -6.528   5.585
  112   1HD2  LEU  17          1HD2      LEU  17   1.029  -5.886   4.181
  113   2HD2  LEU  17          2HD2      LEU  17   0.911  -6.975   5.562
  114   3HD2  LEU  17          3HD2      LEU  17   1.989  -5.585   5.626
  115    H    VAL  18           H        VAL  18   3.843  -3.618   5.169
  116    HA   VAL  18           HA       VAL  18   3.763  -1.411   3.238
  117    HB   VAL  18           HB       VAL  18   6.290  -2.067   4.732
  118   1HG1  VAL  18          1HG1      VAL  18   5.367   0.237   3.032
  119   2HG1  VAL  18          2HG1      VAL  18   6.680  -0.897   2.713
  120   3HG1  VAL  18          3HG1      VAL  18   6.833   0.287   4.011
  121   1HG2  VAL  18          1HG2      VAL  18   4.851   0.399   5.490
  122   2HG2  VAL  18          2HG2      VAL  18   5.852  -0.676   6.463
  123   3HG2  VAL  18          3HG2      VAL  18   4.182  -1.109   6.107
  124    H    ILE  19           H        ILE  19   4.098  -2.215   1.269
  125    HA   ILE  19           HA       ILE  19   5.903  -4.485   0.894
  126    HB   ILE  19           HB       ILE  19   4.172  -5.632  -0.405
  127   1HG1  ILE  19          1HG1      ILE  19   1.770  -4.636   0.094
  128   2HG1  ILE  19          1HG1      ILE  19   2.670  -3.134   0.248
  129   1HG2  ILE  19          1HG2      ILE  19   2.794  -5.013   2.151
  130   2HG2  ILE  19          2HG2      ILE  19   4.416  -5.703   2.221
  131   3HG2  ILE  19          3HG2      ILE  19   3.126  -6.562   1.385
  132   1HD1  ILE  19          1HD1      ILE  19   1.633  -3.802  -2.028
  133   2HD1  ILE  19          2HD1      ILE  19   3.052  -4.834  -2.164
  134   3HD1  ILE  19          3HD1      ILE  19   3.245  -3.095  -1.973
  135    H    ARG  20           H        ARG  20   5.328  -5.061  -1.692
  136    HA   ARG  20           HA       ARG  20   5.371  -2.642  -3.235
  137   1HB   ARG  20          1HB       ARG  20   7.143  -3.683  -4.753
  138   2HB   ARG  20          1HB       ARG  20   7.719  -2.995  -3.243
  139   1HG   ARG  20          1HG       ARG  20   8.565  -4.916  -2.597
  140   2HG   ARG  20          1HG       ARG  20   7.064  -5.772  -2.930
  141   1HD   ARG  20          1HD       ARG  20   8.277  -6.818  -4.520
  142   2HD   ARG  20          1HD       ARG  20   7.974  -5.351  -5.448
  143    HE   ARG  20           HE       ARG  20  10.267  -4.858  -4.007
  144   1HH1  ARG  20          1HH1      ARG  20   9.278  -7.264  -6.332
  145   2HH1  ARG  20          2HH1      ARG  20  10.849  -7.422  -7.032
  146   1HH2  ARG  20          1HH2      ARG  20  12.354  -5.094  -4.921
  147   2HH2  ARG  20          2HH2      ARG  20  12.590  -6.203  -6.229
  148    H    ALA  21           H        ALA  21   4.059  -2.914  -4.864
  149    HA   ALA  21           HA       ALA  21   3.363  -5.575  -5.894
  150   1HB   ALA  21          1HB       ALA  21   0.892  -5.232  -5.418
  151   2HB   ALA  21          2HB       ALA  21   1.414  -4.001  -4.269
  152   3HB   ALA  21          3HB       ALA  21   1.940  -5.671  -4.069
  153    H    LYS  22           H        LYS  22   1.471  -5.611  -7.254
  154    HA   LYS  22           HA       LYS  22   1.295  -3.348  -9.137
  155   1HB   LYS  22          1HB       LYS  22   1.886  -6.202  -9.552
  156   2HB   LYS  22          1HB       LYS  22   0.707  -5.540 -10.667
  157   1HG   LYS  22          1HG       LYS  22   2.318  -3.928 -11.435
  158   2HG   LYS  22          1HG       LYS  22   3.451  -4.394 -10.164
  159   1HD   LYS  22          1HD       LYS  22   2.513  -6.574 -11.903
  160   2HD   LYS  22          1HD       LYS  22   3.517  -5.358 -12.682
  161   1HE   LYS  22          1HE       LYS  22   5.367  -6.055 -11.648
  162   2HE   LYS  22          1HE       LYS  22   4.545  -6.198 -10.095
  163   1HZ   LYS  22          1HZ       LYS  22   3.852  -8.349 -10.576
  164   2HZ   LYS  22          2HZ       LYS  22   5.435  -8.311 -11.169
  165   3HZ   LYS  22          3HZ       LYS  22   4.129  -8.187 -12.238
  166    H    PHE  23           H        PHE  23  -0.820  -2.972 -10.026
  167    HA   PHE  23           HA       PHE  23  -2.976  -4.300  -8.513
  168   1HB   PHE  23          1HB       PHE  23  -2.802  -1.662  -9.935
  169   2HB   PHE  23          1HB       PHE  23  -4.375  -2.417  -9.706
  170    HD1  PHE  23          1HD       PHE  23  -5.549  -2.019  -7.756
  171    HD2  PHE  23          2HD       PHE  23  -1.334  -1.429  -7.799
  172    HE1  PHE  23          1HE       PHE  23  -5.657  -1.099  -5.475
  173    HE2  PHE  23          2HE       PHE  23  -1.436  -0.511  -5.520
  174    HZ   PHE  23           HZ       PHE  23  -3.599  -0.345  -4.355
  175    H    VAL  24           H        VAL  24  -3.973  -5.841  -9.288
  176    HA   VAL  24           HA       VAL  24  -4.340  -6.052 -12.178
  177    HB   VAL  24           HB       VAL  24  -3.728  -8.401 -11.932
  178   1HG1  VAL  24          1HG1      VAL  24  -1.670  -7.881 -12.523
  179   2HG1  VAL  24          2HG1      VAL  24  -1.317  -7.287 -10.905
  180   3HG1  VAL  24          3HG1      VAL  24  -2.077  -6.225 -12.078
  181   1HG2  VAL  24          1HG2      VAL  24  -4.296  -8.593  -9.546
  182   2HG2  VAL  24          2HG2      VAL  24  -2.797  -7.732  -9.222
  183   3HG2  VAL  24          3HG2      VAL  24  -2.747  -9.308 -10.001
  184    H    GLY  25           H        GLY  25  -6.403  -5.190 -10.484
  185   1HA   GLY  25          2HA       GLY  25  -8.432  -7.037 -11.168
  186   2HA   GLY  25          1HA       GLY  25  -8.156  -7.090  -9.440
  187    H    THR  26           H        THR  26 -10.647  -6.251 -10.338
  188    HA   THR  26           HA       THR  26 -10.618  -3.346 -10.350
  189    HB   THR  26           HB       THR  26 -13.076  -5.048 -10.529
  190    HG1  THR  26          1HG       THR  26 -11.950  -6.111 -12.006
  191   1HG2  THR  26          1HG2      THR  26 -13.443  -3.367 -12.462
  192   2HG2  THR  26          2HG2      THR  26 -12.212  -2.419 -11.630
  193   3HG2  THR  26          3HG2      THR  26 -13.704  -2.858 -10.795
  194    HA   PRO  27           HA       PRO  27 -12.036  -3.047  -6.151
  195   1HB   PRO  27          1HB       PRO  27 -12.553  -0.460  -6.037
  196   2HB   PRO  27          1HB       PRO  27 -10.923  -1.033  -6.420
  197   1HG   PRO  27          1HG       PRO  27 -13.044   0.003  -8.256
  198   2HG   PRO  27          1HG       PRO  27 -11.303   0.329  -8.265
  199   1HD   PRO  27          1HD       PRO  27 -12.606  -1.545  -9.855
  200   2HD   PRO  27          1HD       PRO  27 -10.868  -1.518  -9.523
  201    H    GLU  28           H        GLU  28 -13.776  -3.469  -5.033
  202    HA   GLU  28           HA       GLU  28 -16.416  -3.103  -6.259
  203   1HB   GLU  28          1HB       GLU  28 -17.288  -4.540  -4.552
  204   2HB   GLU  28          1HB       GLU  28 -15.808  -5.273  -5.152
  205   1HG   GLU  28          1HG       GLU  28 -14.601  -4.586  -3.214
  206   2HG   GLU  28          1HG       GLU  28 -15.956  -3.611  -2.653
  207    H    VAL  29           H        VAL  29 -17.439  -1.190  -5.930
  208    HA   VAL  29           HA       VAL  29 -16.836   0.238  -3.428
  209    HB   VAL  29           HB       VAL  29 -18.110   1.500  -5.772
  210   1HG1  VAL  29          1HG1      VAL  29 -18.156   2.698  -3.649
  211   2HG1  VAL  29          2HG1      VAL  29 -17.191   3.544  -4.860
  212   3HG1  VAL  29          3HG1      VAL  29 -16.396   2.625  -3.585
  213   1HG2  VAL  29          1HG2      VAL  29 -15.429   2.231  -5.854
  214   2HG2  VAL  29          2HG2      VAL  29 -16.272   1.187  -6.998
  215   3HG2  VAL  29          3HG2      VAL  29 -15.414   0.482  -5.627
  216    H    ASN  30           H        ASN  30 -18.514  -0.382  -1.941
  217    HA   ASN  30           HA       ASN  30 -21.226  -0.233  -2.940
  218   1HB   ASN  30          1HB       ASN  30 -20.280  -1.808  -1.066
  219   2HB   ASN  30          1HB       ASN  30 -20.676  -0.439  -0.022
  220   1HD2  ASN  30          1HD2      ASN  30 -22.404  -1.127   1.032
  221   2HD2  ASN  30          2HD2      ASN  30 -23.877  -1.662   0.301
  222    H    GLN  31           H        GLN  31 -22.805   0.862  -1.681
  223    HA   GLN  31           HA       GLN  31 -22.059   3.678  -1.351
  224   1HB   GLN  31          1HB       GLN  31 -24.835   2.462  -1.228
  225   2HB   GLN  31          1HB       GLN  31 -24.444   4.177  -1.264
  226   1HG   GLN  31          1HG       GLN  31 -23.907   2.210  -3.462
  227   2HG   GLN  31          1HG       GLN  31 -25.237   3.366  -3.416
  228   1HE2  GLN  31          1HE2      GLN  31 -21.849   2.915  -3.951
  229   2HE2  GLN  31          2HE2      GLN  31 -21.505   4.512  -4.512
  230    H    THR  32           H        THR  32 -22.110   0.888   0.356
  231    HA   THR  32           HA       THR  32 -22.660   2.254   2.885
  232    HB   THR  32           HB       THR  32 -23.972   0.025   1.534
  233    HG1  THR  32          1HG       THR  32 -24.625   2.077   3.231
  234   1HG2  THR  32          1HG2      THR  32 -24.480  -1.389   3.299
  235   2HG2  THR  32          2HG2      THR  32 -23.783  -0.304   4.503
  236   3HG2  THR  32          3HG2      THR  32 -22.730  -1.181   3.388
  237    H    THR  33           H        THR  33 -20.155   0.801   1.302
  238    HA   THR  33           HA       THR  33 -19.343  -1.016   3.390
  239    HB   THR  33           HB       THR  33 -17.438  -1.421   2.107
  240    HG1  THR  33          1HG       THR  33 -17.097   0.485   0.391
  241   1HG2  THR  33          1HG2      THR  33 -19.421  -0.431   0.129
  242   2HG2  THR  33          2HG2      THR  33 -19.045  -2.101   0.545
  243   3HG2  THR  33          3HG2      THR  33 -17.883  -1.119  -0.356
  244    H    LEU  34           H        LEU  34 -18.470   2.115   2.069
  245    HA   LEU  34           HA       LEU  34 -17.686   3.997   3.141
  246   1HB   LEU  34          1HB       LEU  34 -17.479   2.165   5.487
  247   2HB   LEU  34          1HB       LEU  34 -16.377   3.515   5.392
  248    HG   LEU  34           HG       LEU  34 -19.173   3.450   6.093
  249   1HD1  LEU  34          1HD1      LEU  34 -18.119   5.922   6.688
  250   2HD1  LEU  34          2HD1      LEU  34 -16.722   4.846   6.725
  251   3HD1  LEU  34          3HD1      LEU  34 -18.122   4.507   7.742
  252   1HD2  LEU  34          1HD2      LEU  34 -18.269   5.259   3.880
  253   2HD2  LEU  34          2HD2      LEU  34 -19.464   5.827   5.055
  254   3HD2  LEU  34          3HD2      LEU  34 -19.800   4.397   4.076
  255    H    TYR  35           H        TYR  35 -16.443   0.965   2.582
  256    HA   TYR  35           HA       TYR  35 -13.935   2.075   1.614
  257   1HB   TYR  35          1HB       TYR  35 -12.805  -0.127   2.500
  258   2HB   TYR  35          1HB       TYR  35 -12.924   1.309   3.509
  259    HD1  TYR  35          1HD       TYR  35 -13.921  -2.120   3.063
  260    HD2  TYR  35          2HD       TYR  35 -14.653   1.453   5.228
  261    HE1  TYR  35          1HE       TYR  35 -15.152  -3.411   4.768
  262    HE2  TYR  35          2HE       TYR  35 -15.867   0.206   6.926
  263    HH   TYR  35           HH       TYR  35 -16.864  -1.805   7.400
  264    H    GLN  36           H        GLN  36 -12.735   0.630   0.238
  265    HA   GLN  36           HA       GLN  36 -14.535  -1.180  -1.243
  266   1HB   GLN  36          1HB       GLN  36 -12.571   0.769  -2.406
  267   2HB   GLN  36          1HB       GLN  36 -13.637  -0.293  -3.317
  268   1HG   GLN  36          1HG       GLN  36 -15.265   1.177  -3.215
  269   2HG   GLN  36          1HG       GLN  36 -15.153   1.239  -1.459
  270   1HE2  GLN  36          1HE2      GLN  36 -12.268   2.222  -1.834
  271   2HE2  GLN  36          2HE2      GLN  36 -12.459   3.897  -2.186
  272    H    ARG  37           H        ARG  37 -13.282  -2.654  -2.823
  273    HA   ARG  37           HA       ARG  37 -10.711  -3.409  -1.610
  274   1HB   ARG  37          1HB       ARG  37 -12.177  -5.695  -2.675
  275   2HB   ARG  37          1HB       ARG  37 -11.278  -5.514  -1.185
  276   1HG   ARG  37          1HG       ARG  37 -13.682  -4.034  -0.928
  277   2HG   ARG  37          1HG       ARG  37 -14.065  -5.632  -1.566
  278   1HD   ARG  37          1HD       ARG  37 -12.123  -5.517   0.642
  279   2HD   ARG  37          1HD       ARG  37 -13.794  -5.133   1.046
  280    HE   ARG  37           HE       ARG  37 -14.373  -7.333   0.670
  281   1HH1  ARG  37          1HH1      ARG  37 -11.066  -6.813  -0.337
  282   2HH1  ARG  37          2HH1      ARG  37 -10.771  -8.486  -0.655
  283   1HH2  ARG  37          1HH2      ARG  37 -13.966  -9.537   0.268
  284   2HH2  ARG  37          2HH2      ARG  37 -12.408 -10.028  -0.306
  285    H    TYR  38           H        TYR  38  -9.272  -3.030  -2.995
  286    HA   TYR  38           HA       TYR  38  -9.599  -3.542  -5.864
  287   1HB   TYR  38          1HB       TYR  38  -7.780  -1.965  -4.168
  288   2HB   TYR  38          1HB       TYR  38  -6.964  -2.795  -5.480
  289    HD1  TYR  38          1HD       TYR  38  -8.538  -2.526  -7.780
  290    HD2  TYR  38          2HD       TYR  38  -8.138   0.247  -4.579
  291    HE1  TYR  38          1HE       TYR  38  -9.128  -0.684  -9.293
  292    HE2  TYR  38          2HE       TYR  38  -8.728   2.078  -6.071
  293    HH   TYR  38           HH       TYR  38  -8.797   1.782  -9.425
  294    H    GLU  39           H        GLU  39  -8.342  -5.112  -6.963
  295    HA   GLU  39           HA       GLU  39  -7.056  -7.112  -5.244
  296   1HB   GLU  39          1HB       GLU  39  -8.948  -7.622  -7.005
  297   2HB   GLU  39          1HB       GLU  39  -7.637  -7.502  -8.158
  298   1HG   GLU  39          1HG       GLU  39  -6.566  -9.386  -7.348
  299   2HG   GLU  39          1HG       GLU  39  -7.419  -9.325  -5.806
  300    H    ILE  40           H        ILE  40  -4.892  -7.563  -5.516
  301    HA   ILE  40           HA       ILE  40  -3.562  -5.953  -7.593
  302    HB   ILE  40           HB       ILE  40  -1.630  -5.835  -5.936
  303   1HG1  ILE  40          1HG1      ILE  40  -3.808  -6.360  -3.922
  304   2HG1  ILE  40          1HG1      ILE  40  -2.654  -7.590  -4.431
  305   1HG2  ILE  40          1HG2      ILE  40  -4.167  -4.374  -5.219
  306   2HG2  ILE  40          2HG2      ILE  40  -3.094  -3.937  -6.548
  307   3HG2  ILE  40          3HG2      ILE  40  -2.518  -3.848  -4.884
  308   1HD1  ILE  40          1HD1      ILE  40  -0.838  -5.996  -3.704
  309   2HD1  ILE  40          2HD1      ILE  40  -1.826  -6.697  -2.424
  310   3HD1  ILE  40          3HD1      ILE  40  -2.112  -5.040  -2.950
  311    H    LYS  41           H        LYS  41  -1.175  -6.617  -7.680
  312    HA   LYS  41           HA       LYS  41  -0.945  -9.516  -7.796
  313   1HB   LYS  41          1HB       LYS  41  -0.768  -8.904 -10.059
  314   2HB   LYS  41          1HB       LYS  41   0.015  -7.380  -9.674
  315   1HG   LYS  41          1HG       LYS  41   1.481  -9.053 -10.783
  316   2HG   LYS  41          1HG       LYS  41   2.090  -8.469  -9.236
  317   1HD   LYS  41          1HD       LYS  41   2.436 -10.805  -9.232
  318   2HD   LYS  41          1HD       LYS  41   1.033 -10.525  -8.199
  319   1HE   LYS  41          1HE       LYS  41  -0.356 -11.625  -9.582
  320   2HE   LYS  41          1HE       LYS  41   0.395 -10.955 -11.029
  321   1HZ   LYS  41          1HZ       LYS  41   2.116 -12.576 -10.916
  322   2HZ   LYS  41          2HZ       LYS  41   0.644 -13.396 -10.782
  323   3HZ   LYS  41          3HZ       LYS  41   1.591 -13.132  -9.406
  324    H    MET  42           H        MET  42  -0.334  -9.254  -5.527
  325    HA   MET  42           HA       MET  42   1.559  -7.459  -4.613
  326   1HB   MET  42          1HB       MET  42   0.186  -8.673  -3.055
  327   2HB   MET  42          1HB       MET  42   0.861 -10.209  -3.577
  328   1HG   MET  42          1HG       MET  42   1.775  -9.527  -1.432
  329   2HG   MET  42          1HG       MET  42   3.028  -9.587  -2.668
  330   1HE   MET  42          1HE       MET  42   0.249  -7.422  -1.617
  331   2HE   MET  42          2HE       MET  42   0.781  -5.842  -2.183
  332   3HE   MET  42          3HE       MET  42   1.034  -6.309  -0.501
  333    H    THR  43           H        THR  43   3.686  -7.242  -4.930
  334    HA   THR  43           HA       THR  43   5.010  -9.293  -6.402
  335    HB   THR  43           HB       THR  43   6.292  -6.784  -5.364
  336    HG1  THR  43          1HG       THR  43   4.334  -7.061  -7.346
  337   1HG2  THR  43          1HG2      THR  43   6.719  -7.608  -8.129
  338   2HG2  THR  43          2HG2      THR  43   7.301  -8.766  -6.932
  339   3HG2  THR  43          3HG2      THR  43   7.869  -7.098  -6.898
  340    H    LYS  44           H        LYS  44   5.911  -7.438  -3.455
  341    HA   LYS  44           HA       LYS  44   6.635  -9.852  -2.052
  342   1HB   LYS  44          1HB       LYS  44   8.655  -7.743  -2.834
  343   2HB   LYS  44          1HB       LYS  44   8.895  -8.781  -1.438
  344   1HG   LYS  44          1HG       LYS  44   8.594 -10.732  -3.066
  345   2HG   LYS  44          1HG       LYS  44   8.816  -9.531  -4.340
  346   1HD   LYS  44          1HD       LYS  44  10.904  -8.959  -2.681
  347   2HD   LYS  44          1HD       LYS  44  10.770 -10.706  -2.487
  348   1HE   LYS  44          1HE       LYS  44  11.730 -11.045  -4.462
  349   2HE   LYS  44          1HE       LYS  44  10.529 -10.032  -5.260
  350   1HZ   LYS  44          1HZ       LYS  44  12.977  -9.367  -5.425
  351   2HZ   LYS  44          2HZ       LYS  44  12.815  -8.828  -3.830
  352   3HZ   LYS  44          3HZ       LYS  44  11.856  -8.158  -5.050
  353    H    MET  45           H        MET  45   6.622  -9.470   0.263
  354    HA   MET  45           HA       MET  45   5.296  -6.982   1.047
  355   1HB   MET  45          1HB       MET  45   5.673  -9.654   2.280
  356   2HB   MET  45          1HB       MET  45   5.641  -8.304   3.392
  357   1HG   MET  45          1HG       MET  45   3.451  -7.801   1.887
  358   2HG   MET  45          1HG       MET  45   3.473  -9.551   1.883
  359   1HE   MET  45          1HE       MET  45   2.718 -10.708   5.234
  360   2HE   MET  45          2HE       MET  45   3.355 -11.004   3.626
  361   3HE   MET  45          3HE       MET  45   1.664 -10.564   3.833
  362    H    TYR  46           H        TYR  46   6.287  -5.414   2.347
  363    HA   TYR  46           HA       TYR  46   9.115  -5.880   2.994
  364   1HB   TYR  46          1HB       TYR  46   7.682  -3.463   1.916
  365   2HB   TYR  46          1HB       TYR  46   9.211  -3.306   2.747
  366    HD1  TYR  46          1HD       TYR  46   9.301  -6.377   1.095
  367    HD2  TYR  46          2HD       TYR  46   9.572  -2.203   0.313
  368    HE1  TYR  46          1HE       TYR  46  10.470  -6.850  -1.002
  369    HE2  TYR  46          2HE       TYR  46  10.744  -2.674  -1.781
  370    HH   TYR  46           HH       TYR  46  12.236  -4.707  -2.643
  371    H    LYS  47           H        LYS  47   6.418  -6.064   4.501
  372    HA   LYS  47           HA       LYS  47   7.245  -5.622   7.047
  373   1HB   LYS  47          1HB       LYS  47   7.049  -3.140   6.066
  374   2HB   LYS  47          1HB       LYS  47   5.369  -3.370   6.517
  375   1HG   LYS  47          1HG       LYS  47   7.691  -3.760   8.393
  376   2HG   LYS  47          1HG       LYS  47   6.767  -2.265   8.252
  377   1HD   LYS  47          1HD       LYS  47   5.193  -4.725   8.682
  378   2HD   LYS  47          1HD       LYS  47   6.201  -4.203  10.031
  379   1HE   LYS  47          1HE       LYS  47   3.831  -3.305   9.973
  380   2HE   LYS  47          1HE       LYS  47   5.122  -2.118  10.164
  381   1HZ   LYS  47          1HZ       LYS  47   3.268  -1.680   8.461
  382   2HZ   LYS  47          2HZ       LYS  47   4.094  -2.770   7.484
  383   3HZ   LYS  47          3HZ       LYS  47   4.863  -1.363   8.018
  384    H    GLY  48           H        GLY  48   5.999  -7.178   7.877
  385   1HA   GLY  48          2HA       GLY  48   3.362  -7.204   8.444
  386   2HA   GLY  48          1HA       GLY  48   3.378  -7.746   6.771
  387    H    PHE  49           H        PHE  49   6.226  -8.870   7.886
  388    HA   PHE  49           HA       PHE  49   5.227 -11.538   8.287
  389   1HB   PHE  49          1HB       PHE  49   8.054 -10.652   8.825
  390   2HB   PHE  49          1HB       PHE  49   7.480 -12.221   8.270
  391    HD1  PHE  49          1HD       PHE  49   5.867 -11.653   5.970
  392    HD2  PHE  49          2HD       PHE  49   9.455  -9.768   7.262
  393    HE1  PHE  49          1HE       PHE  49   6.349 -10.984   3.651
  394    HE2  PHE  49          2HE       PHE  49   9.944  -9.097   4.948
  395    HZ   PHE  49           HZ       PHE  49   8.388  -9.704   3.139
  396    H    GLN  50           H        GLN  50   5.133  -8.963  10.095
  397    HA   GLN  50           HA       GLN  50   5.947 -10.189  12.626
  398   1HB   GLN  50          1HB       GLN  50   4.980  -7.968  13.586
  399   2HB   GLN  50          1HB       GLN  50   6.553  -7.932  12.809
  400   1HG   GLN  50          1HG       GLN  50   5.672  -6.127  11.807
  401   2HG   GLN  50          1HG       GLN  50   5.025  -7.334  10.700
  402   1HE2  GLN  50          1HE2      GLN  50   3.159  -6.419  10.109
  403   2HE2  GLN  50          2HE2      GLN  50   1.883  -5.987  11.188
  404    H    ALA  51           H        ALA  51   3.197  -8.607  11.045
  405    HA   ALA  51           HA       ALA  51   1.188  -9.587  12.734
  406   1HB   ALA  51          1HB       ALA  51  -0.275  -9.267  10.645
  407   2HB   ALA  51          2HB       ALA  51   1.193  -8.643   9.891
  408   3HB   ALA  51          3HB       ALA  51   0.530  -7.849  11.320
  409    H    LEU  52           H        LEU  52   2.430 -10.824   9.608
  410    HA   LEU  52           HA       LEU  52   1.521 -13.493  10.422
  411   1HB   LEU  52          1HB       LEU  52   1.252 -13.512   7.660
  412   2HB   LEU  52          1HB       LEU  52  -0.032 -13.492   8.848
  413    HG   LEU  52           HG       LEU  52   0.481 -10.845   8.691
  414   1HD1  LEU  52          1HD1      LEU  52   1.083 -11.980   5.973
  415   2HD1  LEU  52          2HD1      LEU  52   2.174 -11.054   7.004
  416   3HD1  LEU  52          3HD1      LEU  52   0.748 -10.281   6.311
  417   1HD2  LEU  52          1HD2      LEU  52  -1.660 -10.864   8.126
  418   2HD2  LEU  52          2HD2      LEU  52  -1.551 -12.611   7.914
  419   3HD2  LEU  52          3HD2      LEU  52  -1.285 -11.537   6.540
  420    H    GLY  53           H        GLY  53   2.930 -13.004   7.192
  421   1HA   GLY  53          2HA       GLY  53   5.596 -13.230   7.769
  422   2HA   GLY  53          1HA       GLY  53   4.972 -14.854   7.933
  423    H    ASP  54           H        ASP  54   3.144 -14.896   5.882
  424    HA   ASP  54           HA       ASP  54   4.881 -15.326   3.673
  425   1HB   ASP  54          1HB       ASP  54   1.913 -15.679   4.054
  426   2HB   ASP  54          1HB       ASP  54   2.703 -15.953   2.502
  427    H    ALA  55           H        ALA  55   5.638 -13.611   2.829
  428    HA   ALA  55           HA       ALA  55   4.783 -11.075   2.545
  429   1HB   ALA  55          1HB       ALA  55   6.873 -12.558   1.573
  430   2HB   ALA  55          2HB       ALA  55   6.639 -10.830   1.344
  431   3HB   ALA  55          3HB       ALA  55   6.093 -11.961   0.109
  432    H    ALA  56           H        ALA  56   3.022 -13.592   1.209
  433    HA   ALA  56           HA       ALA  56   1.916 -11.867  -0.907
  434   1HB   ALA  56          1HB       ALA  56   1.068 -14.652  -0.886
  435   2HB   ALA  56          2HB       ALA  56   2.805 -14.439  -1.099
  436   3HB   ALA  56          3HB       ALA  56   1.679 -13.660  -2.209
  437    H    ASP  57           H        ASP  57   1.345 -12.359   2.182
  438    HA   ASP  57           HA       ASP  57  -1.374 -13.214   2.193
  439   1HB   ASP  57          1HB       ASP  57   0.483 -13.181   4.112
  440   2HB   ASP  57          1HB       ASP  57  -0.277 -11.630   4.468
  441    H    ILE  58           H        ILE  58  -0.215 -10.477   0.896
  442    HA   ILE  58           HA       ILE  58  -2.482  -8.808   1.825
  443    HB   ILE  58           HB       ILE  58  -0.138  -7.728   0.311
  444   1HG1  ILE  58          1HG1      ILE  58   1.173  -8.625   1.950
  445   2HG1  ILE  58          1HG1      ILE  58   0.742  -7.102   2.710
  446   1HG2  ILE  58          1HG2      ILE  58  -1.758  -6.417   2.467
  447   2HG2  ILE  58          2HG2      ILE  58  -2.225  -6.413   0.765
  448   3HG2  ILE  58          3HG2      ILE  58  -0.710  -5.659   1.268
  449   1HD1  ILE  58          1HD1      ILE  58   0.314  -8.444   4.455
  450   2HD1  ILE  58          2HD1      ILE  58   0.069  -9.862   3.434
  451   3HD1  ILE  58          3HD1      ILE  58  -1.228  -8.682   3.633
  452    H    ARG  59           H        ARG  59  -3.814 -10.016   0.155
  453    HA   ARG  59           HA       ARG  59  -2.955  -9.424  -2.559
  454   1HB   ARG  59          1HB       ARG  59  -5.334 -11.126  -2.115
  455   2HB   ARG  59          1HB       ARG  59  -4.026 -11.274  -3.277
  456   1HG   ARG  59          1HG       ARG  59  -2.595 -11.826  -1.165
  457   2HG   ARG  59          1HG       ARG  59  -4.163 -12.206  -0.454
  458   1HD   ARG  59          1HD       ARG  59  -2.811 -13.476  -2.813
  459   2HD   ARG  59          1HD       ARG  59  -3.392 -14.242  -1.338
  460    HE   ARG  59           HE       ARG  59  -4.861 -13.849  -3.710
  461   1HH1  ARG  59          1HH1      ARG  59  -5.237 -13.682  -0.243
  462   2HH1  ARG  59          2HH1      ARG  59  -6.933 -14.021  -0.287
  463   1HH2  ARG  59          1HH2      ARG  59  -7.089 -14.312  -3.765
  464   2HH2  ARG  59          2HH2      ARG  59  -7.983 -14.384  -2.283
  465    H    PHE  60           H        PHE  60  -5.222  -8.039  -0.489
  466    HA   PHE  60           HA       PHE  60  -6.380  -6.516  -2.647
  467   1HB   PHE  60          1HB       PHE  60  -7.940  -7.990  -0.507
  468   2HB   PHE  60          1HB       PHE  60  -8.629  -6.751  -1.547
  469    HD1  PHE  60          1HD       PHE  60  -9.626  -7.351  -3.536
  470    HD2  PHE  60          2HD       PHE  60  -6.928 -10.065  -1.676
  471    HE1  PHE  60          1HE       PHE  60 -10.252  -9.081  -5.165
  472    HE2  PHE  60          2HE       PHE  60  -7.545 -11.802  -3.310
  473    HZ   PHE  60           HZ       PHE  60  -9.211 -11.311  -5.056
  474    H    VAL  61           H        VAL  61  -6.946  -4.566  -2.149
  475    HA   VAL  61           HA       VAL  61  -5.986  -3.597   0.453
  476    HB   VAL  61           HB       VAL  61  -5.065  -1.791  -0.589
  477   1HG1  VAL  61          1HG1      VAL  61  -4.579  -4.237  -1.833
  478   2HG1  VAL  61          2HG1      VAL  61  -3.500  -2.851  -1.687
  479   3HG1  VAL  61          3HG1      VAL  61  -4.563  -2.997  -3.088
  480   1HG2  VAL  61          1HG2      VAL  61  -6.377  -0.522  -1.868
  481   2HG2  VAL  61          2HG2      VAL  61  -7.309  -1.916  -2.401
  482   3HG2  VAL  61          3HG2      VAL  61  -5.804  -1.507  -3.213
  483    H    TYR  62           H        TYR  62  -7.466  -2.731   1.771
  484    HA   TYR  62           HA       TYR  62 -10.048  -1.973   0.704
  485   1HB   TYR  62          1HB       TYR  62  -9.196  -2.451   3.552
  486   2HB   TYR  62          1HB       TYR  62 -10.843  -2.178   3.007
  487    HD1  TYR  62          1HD       TYR  62  -8.101  -4.429   1.725
  488    HD2  TYR  62          2HD       TYR  62 -12.054  -4.100   3.289
  489    HE1  TYR  62          1HE       TYR  62  -8.408  -6.825   1.426
  490    HE2  TYR  62          2HE       TYR  62 -12.375  -6.514   2.970
  491    HH   TYR  62           HH       TYR  62 -11.496  -8.411   2.216
  492    H    THR  63           H        THR  63 -10.150   0.049   0.119
  493    HA   THR  63           HA       THR  63  -9.123   2.208   1.856
  494    HB   THR  63           HB       THR  63  -8.330   3.041  -0.121
  495    HG1  THR  63          1HG       THR  63 -10.102   3.975  -1.467
  496   1HG2  THR  63          1HG2      THR  63  -9.070   0.752  -1.194
  497   2HG2  THR  63          2HG2      THR  63  -8.660   2.136  -2.201
  498   3HG2  THR  63          3HG2      THR  63 -10.353   1.754  -1.879
  499    HA   PRO  64           HA       PRO  64 -13.312   3.045   3.112
  500   1HB   PRO  64          1HB       PRO  64 -12.380   5.858   3.218
  501   2HB   PRO  64          1HB       PRO  64 -13.156   4.879   4.468
  502   1HG   PRO  64          1HG       PRO  64 -10.514   5.480   4.510
  503   2HG   PRO  64          1HG       PRO  64 -11.163   3.968   5.167
  504   1HD   PRO  64          1HD       PRO  64  -9.637   4.447   2.682
  505   2HD   PRO  64          1HD       PRO  64  -9.740   2.989   3.676
  506    H    ALA  65           H        ALA  65 -15.017   3.463   1.898
  507    HA   ALA  65           HA       ALA  65 -14.838   4.751  -0.628
  508   1HB   ALA  65          1HB       ALA  65 -15.877   2.675  -0.800
  509   2HB   ALA  65          2HB       ALA  65 -17.202   3.830  -0.847
  510   3HB   ALA  65          3HB       ALA  65 -16.845   2.955   0.641
  511    H    MET  66           H        MET  66 -15.129   6.096   2.186
  512    HA   MET  66           HA       MET  66 -17.706   7.308   2.141
  513   1HB   MET  66          1HB       MET  66 -15.260   8.274   3.620
  514   2HB   MET  66          1HB       MET  66 -16.937   8.645   3.989
  515   1HG   MET  66          1HG       MET  66 -17.291   6.675   5.020
  516   2HG   MET  66          1HG       MET  66 -16.220   5.789   3.936
  517   1HE   MET  66          1HE       MET  66 -16.726   7.094   7.426
  518   2HE   MET  66          2HE       MET  66 -16.164   8.597   6.697
  519   3HE   MET  66          3HE       MET  66 -15.175   7.781   7.908
  520    H    GLU  67           H        GLU  67 -17.918   9.757   2.233
  521    HA   GLU  67           HA       GLU  67 -17.063  10.802  -0.294
  522   1HB   GLU  67          1HB       GLU  67 -18.521  12.186   1.966
  523   2HB   GLU  67          1HB       GLU  67 -18.381  12.772   0.313
  524   1HG   GLU  67          1HG       GLU  67 -19.889  11.257  -0.501
  525   2HG   GLU  67          1HG       GLU  67 -19.570  10.087   0.779
  526    H    SER  68           H        SER  68 -15.463  12.246  -0.734
  527    HA   SER  68           HA       SER  68 -13.482  13.359  -0.429
  528   1HB   SER  68          1HB       SER  68 -13.576  15.224   1.050
  529   2HB   SER  68          1HB       SER  68 -15.235  14.967   0.509
  530    HG   SER  68           HG       SER  68 -14.603  15.202   2.924
  531    H    VAL  69           H        VAL  69 -13.667  10.721   0.665
  532    HA   VAL  69           HA       VAL  69 -12.273  10.766   3.205
  533    HB   VAL  69           HB       VAL  69 -14.030   9.063   2.525
  534   1HG1  VAL  69          1HG1      VAL  69 -12.225   7.153   1.460
  535   2HG1  VAL  69          2HG1      VAL  69 -12.246   8.581   0.428
  536   3HG1  VAL  69          3HG1      VAL  69 -13.747   7.737   0.793
  537   1HG2  VAL  69          1HG2      VAL  69 -11.563   7.678   3.415
  538   2HG2  VAL  69          2HG2      VAL  69 -13.209   7.534   4.031
  539   3HG2  VAL  69          3HG2      VAL  69 -12.244   8.959   4.417
  540    H    CYS  70           H        CYS  70 -10.399   9.461   3.552
  541    HA   CYS  70           HA       CYS  70  -8.502   9.673   1.333
  542   1HB   CYS  70          1HB       CYS  70  -8.219   9.458   4.325
  543   2HB   CYS  70          1HB       CYS  70  -6.921   8.878   3.293
  544    H    GLY  71           H        GLY  71  -9.363   8.135   0.209
  545   1HA   GLY  71          2HA       GLY  71  -9.323   5.402   1.231
  546   2HA   GLY  71          1HA       GLY  71 -10.173   5.929  -0.216
  547    H    TYR  72           H        TYR  72  -9.199   5.741  -2.085
  548    HA   TYR  72           HA       TYR  72  -6.411   5.994  -2.440
  549   1HB   TYR  72          1HB       TYR  72  -6.651   3.711  -1.343
  550   2HB   TYR  72          1HB       TYR  72  -7.333   3.186  -2.885
  551    HD1  TYR  72          1HD       TYR  72  -5.958   2.865  -4.801
  552    HD2  TYR  72          2HD       TYR  72  -4.335   4.510  -1.236
  553    HE1  TYR  72          1HE       TYR  72  -3.694   2.596  -5.719
  554    HE2  TYR  72          2HE       TYR  72  -2.074   4.249  -2.130
  555    HH   TYR  72           HH       TYR  72  -1.440   2.482  -5.058
  556    H    PHE  73           H        PHE  73  -7.305   7.455  -4.075
  557    HA   PHE  73           HA       PHE  73  -8.772   6.379  -6.227
  558   1HB   PHE  73          1HB       PHE  73  -7.472   8.951  -5.617
  559   2HB   PHE  73          1HB       PHE  73  -7.581   8.569  -7.333
  560    HD1  PHE  73          1HD       PHE  73  -9.645   8.789  -4.241
  561    HD2  PHE  73          2HD       PHE  73  -9.546   8.956  -8.493
  562    HE1  PHE  73          1HE       PHE  73 -11.991   9.535  -4.265
  563    HE2  PHE  73          2HE       PHE  73 -11.889   9.703  -8.524
  564    HZ   PHE  73           HZ       PHE  73 -13.115   9.995  -6.408
  565    H    HIS  74           H        HIS  74  -8.008   4.729  -7.256
  566    HA   HIS  74           HA       HIS  74  -5.207   4.797  -8.126
  567   1HB   HIS  74          1HB       HIS  74  -5.498   2.850  -6.938
  568   2HB   HIS  74          1HB       HIS  74  -7.129   2.598  -7.527
  569    HD1  HIS  74          1HD       HIS  74  -3.616   1.740  -8.135
  570    HD2  HIS  74          2HD       HIS  74  -7.198   1.470 -10.217
  571    HE1  HIS  74          1HE       HIS  74  -3.178   0.149 -10.022
  572    HE2  HIS  74          2HE       HIS  74  -5.401  -0.124 -11.170
  573    H    ARG  75           H        ARG  75  -4.857   5.542 -10.031
  574    HA   ARG  75           HA       ARG  75  -6.760   4.965 -12.209
  575   1HB   ARG  75          1HB       ARG  75  -4.874   7.292 -11.845
  576   2HB   ARG  75          1HB       ARG  75  -5.754   6.976 -13.333
  577   1HG   ARG  75          1HG       ARG  75  -7.292   8.338 -12.458
  578   2HG   ARG  75          1HG       ARG  75  -7.765   6.927 -11.508
  579   1HD   ARG  75          1HD       ARG  75  -7.066   7.856  -9.605
  580   2HD   ARG  75          1HD       ARG  75  -5.536   8.359 -10.323
  581    HE   ARG  75           HE       ARG  75  -7.743  10.015  -9.795
  582   1HH1  ARG  75          1HH1      ARG  75  -5.381   9.416 -12.293
  583   2HH1  ARG  75          2HH1      ARG  75  -5.446  11.031 -12.914
  584   1HH2  ARG  75          1HH2      ARG  75  -7.827  12.139 -10.611
  585   2HH2  ARG  75          2HH2      ARG  75  -6.831  12.576 -11.959
  586    H    SER  76           H        SER  76  -3.903   3.908 -11.042
  587    HA   SER  76           HA       SER  76  -2.626   3.649 -13.656
  588   1HB   SER  76          1HB       SER  76  -1.633   3.148 -10.847
  589   2HB   SER  76          1HB       SER  76  -0.713   2.683 -12.278
  590    HG   SER  76           HG       SER  76  -1.402   5.170 -12.679
  591    H    HIS  77           H        HIS  77  -4.206   2.140 -14.460
  592    HA   HIS  77           HA       HIS  77  -4.584  -0.403 -13.177
  593   1HB   HIS  77          1HB       HIS  77  -5.602   0.975 -15.568
  594   2HB   HIS  77          1HB       HIS  77  -5.492  -0.775 -15.722
  595    HD1  HIS  77          1HD       HIS  77  -6.923   1.748 -13.256
  596    HD2  HIS  77          2HD       HIS  77  -7.659  -2.060 -14.746
  597    HE1  HIS  77          1HE       HIS  77  -9.099   1.031 -12.220
  598    HE2  HIS  77          2HE       HIS  77  -9.465  -1.321 -13.049
  599    H    ASN  78           H        ASN  78  -1.874   0.468 -14.037
  600    HA   ASN  78           HA       ASN  78  -1.024  -1.211 -16.170
  601   1HB   ASN  78          1HB       ASN  78   0.115   0.883 -14.956
  602   2HB   ASN  78          1HB       ASN  78   0.931  -0.415 -14.095
  603   1HD2  ASN  78          1HD2      ASN  78   1.438  -2.283 -15.830
  604   2HD2  ASN  78          2HD2      ASN  78   2.376  -1.722 -17.164
  605    H    ARG  79           H        ARG  79  -1.104  -3.354 -16.093
  606    HA   ARG  79           HA       ARG  79  -1.156  -4.814 -13.653
  607   1HB   ARG  79          1HB       ARG  79  -0.753  -6.054 -16.359
  608   2HB   ARG  79          1HB       ARG  79  -1.601  -6.708 -14.965
  609   1HG   ARG  79          1HG       ARG  79  -2.830  -4.250 -15.834
  610   2HG   ARG  79          1HG       ARG  79  -2.705  -5.395 -17.168
  611   1HD   ARG  79          1HD       ARG  79  -3.732  -7.117 -15.660
  612   2HD   ARG  79          1HD       ARG  79  -4.014  -5.830 -14.490
  613    HE   ARG  79           HE       ARG  79  -5.690  -4.977 -15.844
  614   1HH1  ARG  79          1HH1      ARG  79  -4.046  -7.596 -17.471
  615   2HH1  ARG  79          2HH1      ARG  79  -5.262  -7.764 -18.692
  616   1HH2  ARG  79          1HH2      ARG  79  -7.285  -5.199 -17.454
  617   2HH2  ARG  79          2HH2      ARG  79  -7.097  -6.405 -18.683
  618    H    SER  80           H        SER  80   1.421  -3.896 -15.789
  619    HA   SER  80           HA       SER  80   3.220  -5.801 -14.454
  620   1HB   SER  80          1HB       SER  80   4.772  -5.360 -16.350
  621   2HB   SER  80          1HB       SER  80   3.232  -6.037 -16.877
  622    HG   SER  80           HG       SER  80   3.711  -3.252 -16.826
  623    H    GLU  81           H        GLU  81   2.165  -2.781 -13.913
  624    HA   GLU  81           HA       GLU  81   4.849  -1.681 -13.479
  625   1HB   GLU  81          1HB       GLU  81   2.821  -0.326 -14.436
  626   2HB   GLU  81          1HB       GLU  81   2.422  -0.114 -12.736
  627   1HG   GLU  81          1HG       GLU  81   4.653   0.820 -12.349
  628   2HG   GLU  81          1HG       GLU  81   5.024   0.622 -14.059
  629    H    GLU  82           H        GLU  82   5.831  -1.994 -11.626
  630    HA   GLU  82           HA       GLU  82   4.548  -3.119  -9.381
  631   1HB   GLU  82          1HB       GLU  82   7.212  -2.736 -10.227
  632   2HB   GLU  82          1HB       GLU  82   7.068  -1.951  -8.658
  633   1HG   GLU  82          1HG       GLU  82   7.092  -3.907  -7.617
  634   2HG   GLU  82          1HG       GLU  82   5.744  -4.488  -8.590
  635    H    PHE  83           H        PHE  83   4.905  -2.059  -7.109
  636    HA   PHE  83           HA       PHE  83   4.583   0.784  -7.090
  637   1HB   PHE  83          1HB       PHE  83   2.243  -1.002  -6.848
  638   2HB   PHE  83          1HB       PHE  83   2.352   0.295  -5.668
  639    HD1  PHE  83          1HD       PHE  83   2.050  -0.492  -9.249
  640    HD2  PHE  83          2HD       PHE  83   2.059   2.566  -6.290
  641    HE1  PHE  83          1HE       PHE  83   1.170   1.105 -10.899
  642    HE2  PHE  83          2HE       PHE  83   1.175   4.166  -7.931
  643    HZ   PHE  83           HZ       PHE  83   0.730   3.439 -10.243
  644    H    LEU  84           H        LEU  84   3.898   1.453  -4.840
  645    HA   LEU  84           HA       LEU  84   5.266  -0.214  -2.816
  646   1HB   LEU  84          1HB       LEU  84   6.643   1.774  -3.582
  647   2HB   LEU  84          1HB       LEU  84   5.415   2.805  -2.880
  648    HG   LEU  84           HG       LEU  84   7.528   2.368  -1.511
  649   1HD1  LEU  84          1HD1      LEU  84   6.218   2.207   0.612
  650   2HD1  LEU  84          2HD1      LEU  84   4.777   1.957  -0.370
  651   3HD1  LEU  84          3HD1      LEU  84   5.686   3.459  -0.507
  652   1HD2  LEU  84          1HD2      LEU  84   6.994   0.246  -0.006
  653   2HD2  LEU  84          2HD2      LEU  84   7.999   0.151  -1.448
  654   3HD2  LEU  84          3HD2      LEU  84   6.315  -0.332  -1.521
  655    H    ILE  85           H        ILE  85   4.053  -0.612  -1.062
  656    HA   ILE  85           HA       ILE  85   1.808   1.238  -0.567
  657    HB   ILE  85           HB       ILE  85   1.690  -1.781  -0.462
  658   1HG1  ILE  85          1HG1      ILE  85   0.168   0.090  -2.275
  659   2HG1  ILE  85          1HG1      ILE  85   1.727  -0.591  -2.724
  660   1HG2  ILE  85          1HG2      ILE  85   0.254  -0.227   1.162
  661   2HG2  ILE  85          2HG2      ILE  85  -0.403  -1.688   0.429
  662   3HG2  ILE  85          3HG2      ILE  85  -0.755  -0.112  -0.278
  663   1HD1  ILE  85          1HD1      ILE  85  -0.831  -1.720  -3.038
  664   2HD1  ILE  85          2HD1      ILE  85   0.025  -2.698  -1.845
  665   3HD1  ILE  85          3HD1      ILE  85   0.734  -2.426  -3.437
  666    H    ALA  86           H        ALA  86   2.162   2.183   1.180
  667    HA   ALA  86           HA       ALA  86   3.063   0.797   3.660
  668   1HB   ALA  86          1HB       ALA  86   3.775   3.405   2.664
  669   2HB   ALA  86          2HB       ALA  86   4.365   2.573   4.097
  670   3HB   ALA  86          3HB       ALA  86   2.914   3.570   4.193
  671    H    GLY  87           H        GLY  87   1.426   0.221   4.818
  672   1HA   GLY  87          2HA       GLY  87  -0.860   1.939   5.309
  673   2HA   GLY  87          1HA       GLY  87  -1.217   0.399   4.536
  674    H    LYS  88           H        LYS  88  -2.479   0.207   6.600
  675    HA   LYS  88           HA       LYS  88  -0.947  -1.101   8.700
  676   1HB   LYS  88          1HB       LYS  88  -2.936   1.067   8.918
  677   2HB   LYS  88          1HB       LYS  88  -3.198  -0.264  10.018
  678   1HG   LYS  88          1HG       LYS  88  -1.799   0.757  11.397
  679   2HG   LYS  88          1HG       LYS  88  -0.504   0.343  10.284
  680   1HD   LYS  88          1HD       LYS  88  -0.171   2.575  10.253
  681   2HD   LYS  88          1HD       LYS  88  -1.478   2.545   9.072
  682   1HE   LYS  88          1HE       LYS  88  -2.735   2.613  11.568
  683   2HE   LYS  88          1HE       LYS  88  -1.389   3.744  11.696
  684   1HZ   LYS  88          1HZ       LYS  88  -3.020   5.076  10.840
  685   2HZ   LYS  88          2HZ       LYS  88  -3.731   3.842   9.930
  686   3HZ   LYS  88          3HZ       LYS  88  -2.289   4.552   9.407
  687    H    LEU  89           H        LEU  89  -2.671  -2.531  10.039
  688    HA   LEU  89           HA       LEU  89  -4.413  -3.787   8.015
  689   1HB   LEU  89          1HB       LEU  89  -2.486  -4.948   9.953
  690   2HB   LEU  89          1HB       LEU  89  -3.988  -5.822   9.727
  691    HG   LEU  89           HG       LEU  89  -1.918  -5.191   7.632
  692   1HD1  LEU  89          1HD1      LEU  89  -3.006  -7.878   8.375
  693   2HD1  LEU  89          2HD1      LEU  89  -1.680  -7.153   9.284
  694   3HD1  LEU  89          3HD1      LEU  89  -1.495  -7.475   7.559
  695   1HD2  LEU  89          1HD2      LEU  89  -3.830  -4.957   6.393
  696   2HD2  LEU  89          2HD2      LEU  89  -4.753  -6.060   7.404
  697   3HD2  LEU  89          3HD2      LEU  89  -3.563  -6.693   6.266
  698    H    GLN  90           H        GLN  90  -6.505  -3.762   8.483
  699    HA   GLN  90           HA       GLN  90  -7.329  -3.382  11.267
  700   1HB   GLN  90          1HB       GLN  90  -9.638  -3.045   9.801
  701   2HB   GLN  90          1HB       GLN  90  -8.631  -1.763  10.458
  702   1HG   GLN  90          1HG       GLN  90  -8.201  -2.956   7.743
  703   2HG   GLN  90          1HG       GLN  90  -9.239  -1.562   8.043
  704   1HE2  GLN  90          1HE2      GLN  90  -6.163  -2.543   7.260
  705   2HE2  GLN  90          2HE2      GLN  90  -5.307  -1.089   7.623
  706    H    ASP  91           H        ASP  91  -7.947  -5.044  12.348
  707    HA   ASP  91           HA       ASP  91  -8.553  -7.213  12.781
  708   1HB   ASP  91          1HB       ASP  91 -10.685  -6.023  11.047
  709   2HB   ASP  91          1HB       ASP  91 -10.816  -7.715  11.516
  710    H    GLY  92           H        GLY  92  -6.671  -6.855  10.533
  711   1HA   GLY  92          2HA       GLY  92  -5.725  -8.917   9.597
  712   2HA   GLY  92          1HA       GLY  92  -7.345  -9.328   9.081
  713    H    LEU  93           H        LEU  93  -8.258  -7.118   7.729
  714    HA   LEU  93           HA       LEU  93  -6.791  -7.387   5.337
  715   1HB   LEU  93          1HB       LEU  93  -9.015  -5.437   5.813
  716   2HB   LEU  93          1HB       LEU  93  -8.599  -6.280   4.333
  717    HG   LEU  93           HG       LEU  93  -9.560  -7.780   6.754
  718   1HD1  LEU  93          1HD1      LEU  93 -11.539  -6.808   6.589
  719   2HD1  LEU  93          2HD1      LEU  93 -11.709  -7.601   5.024
  720   3HD1  LEU  93          3HD1      LEU  93 -11.083  -5.956   5.116
  721   1HD2  LEU  93          1HD2      LEU  93  -9.968  -8.502   3.887
  722   2HD2  LEU  93          2HD2      LEU  93  -9.949  -9.541   5.307
  723   3HD2  LEU  93          3HD2      LEU  93  -8.444  -8.854   4.696
  724    H    LEU  94           H        LEU  94  -6.020  -5.788   3.925
  725    HA   LEU  94           HA       LEU  94  -4.434  -3.786   5.175
  726   1HB   LEU  94          1HB       LEU  94  -3.638  -5.074   3.238
  727   2HB   LEU  94          1HB       LEU  94  -4.903  -4.363   2.257
  728    HG   LEU  94           HG       LEU  94  -3.884  -2.158   2.484
  729   1HD1  LEU  94          1HD1      LEU  94  -1.877  -1.745   3.652
  730   2HD1  LEU  94          2HD1      LEU  94  -1.612  -3.461   3.943
  731   3HD1  LEU  94          3HD1      LEU  94  -2.918  -2.624   4.772
  732   1HD2  LEU  94          1HD2      LEU  94  -2.489  -2.549   0.783
  733   2HD2  LEU  94          2HD2      LEU  94  -2.946  -4.242   0.971
  734   3HD2  LEU  94          3HD2      LEU  94  -1.480  -3.633   1.740
  735    H    HIS  95           H        HIS  95  -4.431  -1.568   4.588
  736    HA   HIS  95           HA       HIS  95  -6.856  -0.508   3.418
  737   1HB   HIS  95          1HB       HIS  95  -6.195  -0.117   6.284
  738   2HB   HIS  95          1HB       HIS  95  -6.769   1.283   5.396
  739    HD1  HIS  95          1HD       HIS  95  -9.190   1.589   5.606
  740    HD2  HIS  95          2HD       HIS  95  -8.151  -2.439   5.730
  741    HE1  HIS  95          1HE       HIS  95 -11.350   0.348   5.921
  742    HE2  HIS  95          2HE       HIS  95 -10.715  -2.083   5.751
  743    H    ILE  96           H        ILE  96  -6.615   1.544   2.541
  744    HA   ILE  96           HA       ILE  96  -3.914   2.689   2.748
  745    HB   ILE  96           HB       ILE  96  -4.896   3.043   0.058
  746   1HG1  ILE  96          1HG1      ILE  96  -5.952   0.810   0.535
  747   2HG1  ILE  96          1HG1      ILE  96  -4.779   0.797  -0.778
  748   1HG2  ILE  96          1HG2      ILE  96  -2.419   1.966   1.366
  749   2HG2  ILE  96          2HG2      ILE  96  -2.643   3.469   0.467
  750   3HG2  ILE  96          3HG2      ILE  96  -2.625   1.926  -0.387
  751   1HD1  ILE  96          1HD1      ILE  96  -4.809  -0.697   1.679
  752   2HD1  ILE  96          2HD1      ILE  96  -3.299   0.194   1.492
  753   3HD1  ILE  96          3HD1      ILE  96  -3.825  -0.923   0.237
  754    H    THR  97           H        THR  97  -3.746   4.880   2.363
  755    HA   THR  97           HA       THR  97  -6.220   6.359   1.943
  756    HB   THR  97           HB       THR  97  -5.624   7.848   3.886
  757    HG1  THR  97          1HG       THR  97  -4.040   5.783   4.893
  758   1HG2  THR  97          1HG2      THR  97  -7.133   5.642   3.955
  759   2HG2  THR  97          2HG2      THR  97  -6.854   6.671   5.360
  760   3HG2  THR  97          3HG2      THR  97  -5.906   5.201   5.139
  761    H    THR  98           H        THR  98  -5.974   8.341   1.004
  762    HA   THR  98           HA       THR  98  -3.720   8.735  -0.604
  763    HB   THR  98           HB       THR  98  -4.755  10.764  -1.322
  764    HG1  THR  98          1HG       THR  98  -6.555  11.601  -0.138
  765   1HG2  THR  98          1HG2      THR  98  -6.346   9.626  -2.340
  766   2HG2  THR  98          2HG2      THR  98  -7.328   9.666  -0.875
  767   3HG2  THR  98          3HG2      THR  98  -6.193   8.341  -1.140
  768    H    CYS  99           H        CYS  99  -4.008   9.289   2.641
  769    HA   CYS  99           HA       CYS  99  -1.784  11.219   2.565
  770   1HB   CYS  99          1HB       CYS  99  -3.760  12.177   3.730
  771   2HB   CYS  99          1HB       CYS  99  -3.648  10.903   4.922
  772    H    SER 100           H        SER 100  -1.811   8.329   2.309
  773    HA   SER 100           HA       SER 100  -0.028   7.666   4.561
  774   1HB   SER 100          1HB       SER 100  -2.252   6.268   4.148
  775   2HB   SER 100          1HB       SER 100  -1.269   5.497   2.909
  776    HG   SER 100           HG       SER 100  -0.228   4.478   4.418
  777    H    PHE 101           H        PHE 101   1.915   6.446   3.908
  778    HA   PHE 101           HA       PHE 101   2.904   7.437   1.454
  779   1HB   PHE 101          1HB       PHE 101   4.280   6.906   3.490
  780   2HB   PHE 101          1HB       PHE 101   4.174   5.212   3.022
  781    HD1  PHE 101          1HD       PHE 101   6.141   8.057   2.843
  782    HD2  PHE 101          2HD       PHE 101   4.771   4.827   0.442
  783    HE1  PHE 101          1HE       PHE 101   8.044   8.389   1.317
  784    HE2  PHE 101          2HE       PHE 101   6.670   5.148  -1.087
  785    HZ   PHE 101           HZ       PHE 101   8.309   6.933  -0.651
  786    H    VAL 102           H        VAL 102   1.979   6.726  -0.420
  787    HA   VAL 102           HA       VAL 102   2.276   3.902  -1.061
  788    HB   VAL 102           HB       VAL 102  -0.419   5.068  -1.636
  789   1HG1  VAL 102          1HG1      VAL 102   0.925   2.487  -1.839
  790   2HG1  VAL 102          2HG1      VAL 102  -0.452   3.124  -2.731
  791   3HG1  VAL 102          3HG1      VAL 102  -0.692   2.395  -1.146
  792   1HG2  VAL 102          1HG2      VAL 102  -1.137   4.991   0.465
  793   2HG2  VAL 102          2HG2      VAL 102   0.490   4.617   1.009
  794   3HG2  VAL 102          3HG2      VAL 102  -0.615   3.315   0.604
  795    H    ALA 103           H        ALA 103   3.530   4.145  -2.872
  796    HA   ALA 103           HA       ALA 103   2.271   5.276  -5.212
  797   1HB   ALA 103          1HB       ALA 103   3.509   7.149  -5.594
  798   2HB   ALA 103          2HB       ALA 103   4.880   6.580  -4.640
  799   3HB   ALA 103          3HB       ALA 103   3.432   7.180  -3.833
  800    HA   PRO 104           HA       PRO 104   4.657   2.659  -7.834
  801   1HB   PRO 104          1HB       PRO 104   6.052   5.048  -8.934
  802   2HB   PRO 104          1HB       PRO 104   5.291   3.701  -9.785
  803   1HG   PRO 104          1HG       PRO 104   4.033   6.046  -9.604
  804   2HG   PRO 104          1HG       PRO 104   3.121   4.538  -9.401
  805   1HD   PRO 104          1HD       PRO 104   4.027   6.500  -7.337
  806   2HD   PRO 104          1HD       PRO 104   2.543   5.528  -7.393
  807    H    TRP 105           H        TRP 105   6.216   1.439  -7.119
  808    HA   TRP 105           HA       TRP 105   8.412   2.075  -5.572
  809   1HB   TRP 105          1HB       TRP 105   7.625  -0.214  -6.437
  810   2HB   TRP 105          1HB       TRP 105   8.470   0.160  -7.910
  811    HD1  TRP 105           HD       TRP 105  10.683  -0.991  -8.014
  812    HE1  TRP 105          1HE       TRP 105  12.503  -1.642  -6.351
  813    HE3  TRP 105          3HE       TRP 105   8.546   0.796  -3.733
  814    HZ2  TRP 105          2HZ       TRP 105  12.979  -1.456  -3.553
  815    HZ3  TRP 105          3HZ       TRP 105   9.763   0.523  -1.607
  816    HH2  TRP 105           HH       TRP 105  11.928  -0.578  -1.539
  817    H    ASN 106           H        ASN 106   8.055   1.751  -8.998
  818    HA   ASN 106           HA       ASN 106  10.444   2.627  -9.828
  819   1HB   ASN 106          1HB       ASN 106   7.824   2.734 -11.252
  820   2HB   ASN 106          1HB       ASN 106   9.351   3.120 -12.042
  821   1HD2  ASN 106          1HD2      ASN 106  11.014   1.449 -12.013
  822   2HD2  ASN 106          2HD2      ASN 106  10.530  -0.207 -12.091
  823    H    SER 107           H        SER 107   8.821   4.529  -7.986
  824    HA   SER 107           HA       SER 107   9.672   6.967  -9.372
  825   1HB   SER 107          1HB       SER 107   7.178   6.845  -9.103
  826   2HB   SER 107          1HB       SER 107   7.425   6.848  -7.357
  827    HG   SER 107           HG       SER 107   8.668   8.870  -8.812
  828    H    LEU 108           H        LEU 108   9.957   4.977  -6.795
  829    HA   LEU 108           HA       LEU 108  10.848   6.698  -4.753
  830   1HB   LEU 108          1HB       LEU 108  10.633   3.848  -5.298
  831   2HB   LEU 108          1HB       LEU 108  11.871   4.266  -4.134
  832    HG   LEU 108           HG       LEU 108  10.152   5.432  -2.778
  833   1HD1  LEU 108          1HD1      LEU 108   7.853   4.218  -4.033
  834   2HD1  LEU 108          2HD1      LEU 108   8.656   5.359  -5.110
  835   3HD1  LEU 108          3HD1      LEU 108   8.113   5.884  -3.518
  836   1HD2  LEU 108          1HD2      LEU 108   9.489   3.539  -1.715
  837   2HD2  LEU 108          2HD2      LEU 108  10.715   2.839  -2.772
  838   3HD2  LEU 108          3HD2      LEU 108   9.009   2.732  -3.208
  839    H    SER 109           H        SER 109  12.890   6.422  -3.716
  840    HA   SER 109           HA       SER 109  15.113   6.973  -5.526
  841   1HB   SER 109          1HB       SER 109  15.509   6.809  -2.575
  842   2HB   SER 109          1HB       SER 109  16.154   7.962  -3.733
  843    HG   SER 109           HG       SER 109  14.184   9.018  -3.754
  844    H    LEU 110           H        LEU 110  16.283   5.494  -6.286
  845    HA   LEU 110           HA       LEU 110  16.392   2.867  -5.934
  846   1HB   LEU 110          1HB       LEU 110  18.925   3.097  -6.371
  847   2HB   LEU 110          1HB       LEU 110  17.777   3.664  -7.528
  848    HG   LEU 110           HG       LEU 110  19.939   5.059  -6.518
  849   1HD1  LEU 110          1HD1      LEU 110  19.556   5.721  -8.597
  850   2HD1  LEU 110          2HD1      LEU 110  18.537   6.948  -7.845
  851   3HD1  LEU 110          3HD1      LEU 110  17.818   5.459  -8.459
  852   1HD2  LEU 110          1HD2      LEU 110  18.652   7.196  -5.849
  853   2HD2  LEU 110          2HD2      LEU 110  19.081   5.988  -4.643
  854   3HD2  LEU 110          3HD2      LEU 110  17.449   6.050  -5.293
  855    H    ALA 111           H        ALA 111  17.729   5.164  -3.681
  856    HA   ALA 111           HA       ALA 111  18.967   3.156  -2.033
  857   1HB   ALA 111          1HB       ALA 111  18.555   5.875  -0.987
  858   2HB   ALA 111          2HB       ALA 111  19.512   5.755  -2.472
  859   3HB   ALA 111          3HB       ALA 111  20.020   4.888  -1.017
  860    H    GLN 112           H        GLN 112  16.111   5.161  -2.182
  861    HA   GLN 112           HA       GLN 112  15.086   4.104   0.282
  862   1HB   GLN 112          1HB       GLN 112  14.741   6.481  -0.335
  863   2HB   GLN 112          1HB       GLN 112  13.862   5.964  -1.766
  864   1HG   GLN 112          1HG       GLN 112  12.069   5.152  -0.505
  865   2HG   GLN 112          1HG       GLN 112  13.002   5.188   0.986
  866   1HE2  GLN 112          1HE2      GLN 112  11.797   7.339  -1.553
  867   2HE2  GLN 112          2HE2      GLN 112  11.449   8.666  -0.503
  868    H    ARG 113           H        ARG 113  15.504   3.026  -2.688
  869    HA   ARG 113           HA       ARG 113  13.015   1.556  -2.904
  870   1HB   ARG 113          1HB       ARG 113  15.490   1.802  -4.578
  871   2HB   ARG 113          1HB       ARG 113  14.347   0.489  -4.850
  872   1HG   ARG 113          1HG       ARG 113  12.673   2.595  -4.852
  873   2HG   ARG 113          1HG       ARG 113  14.141   3.351  -5.480
  874   1HD   ARG 113          1HD       ARG 113  14.291   1.462  -7.103
  875   2HD   ARG 113          1HD       ARG 113  12.676   0.968  -6.577
  876    HE   ARG 113           HE       ARG 113  11.977   3.269  -7.311
  877   1HH1  ARG 113          1HH1      ARG 113  14.717   1.645  -8.755
  878   2HH1  ARG 113          2HH1      ARG 113  14.620   2.538 -10.231
  879   1HH2  ARG 113          1HH2      ARG 113  11.866   4.444  -9.249
  880   2HH2  ARG 113          2HH2      ARG 113  13.001   4.122 -10.515
  881    H    ARG 114           H        ARG 114  16.518   1.243  -2.286
  882    HA   ARG 114           HA       ARG 114  16.232  -1.505  -1.566
  883   1HB   ARG 114          1HB       ARG 114  18.449  -1.566  -1.065
  884   2HB   ARG 114          1HB       ARG 114  18.438  -0.203  -2.168
  885   1HG   ARG 114          1HG       ARG 114  19.842   0.395  -0.399
  886   2HG   ARG 114          1HG       ARG 114  18.333   1.243  -0.078
  887   1HD   ARG 114          1HD       ARG 114  17.982   0.112   1.799
  888   2HD   ARG 114          1HD       ARG 114  18.358  -1.431   1.057
  889    HE   ARG 114           HE       ARG 114  19.982  -0.068   2.837
  890   1HH1  ARG 114          1HH1      ARG 114  20.332  -1.521  -0.328
  891   2HH1  ARG 114          2HH1      ARG 114  22.039  -1.751  -0.159
  892   1HH2  ARG 114          1HH2      ARG 114  22.212  -0.382   3.047
  893   2HH2  ARG 114          2HH2      ARG 114  23.104  -1.109   1.753
  894    H    GLY 115           H        GLY 115  16.595   1.502   0.207
  895   1HA   GLY 115          2HA       GLY 115  16.503   0.715   2.777
  896   2HA   GLY 115          1HA       GLY 115  15.707   2.160   2.211
  897    H    PHE 116           H        PHE 116  13.638   0.890   0.615
  898    HA   PHE 116           HA       PHE 116  12.020   0.137   2.869
  899   1HB   PHE 116          1HB       PHE 116  11.529   0.494  -0.060
  900   2HB   PHE 116          1HB       PHE 116  10.424  -0.563   0.800
  901    HD1  PHE 116          1HD       PHE 116   8.804   0.318   2.326
  902    HD2  PHE 116          2HD       PHE 116  11.634   2.879   0.458
  903    HE1  PHE 116          1HE       PHE 116   7.489   2.277   3.023
  904    HE2  PHE 116          2HE       PHE 116  10.334   4.842   1.152
  905    HZ   PHE 116           HZ       PHE 116   8.254   4.542   2.438
  906    H    THR 117           H        THR 117  12.980  -1.512  -0.086
  907    HA   THR 117           HA       THR 117  12.110  -4.015   0.486
  908    HB   THR 117           HB       THR 117  13.273  -3.168  -1.626
  909    HG1  THR 117          1HG       THR 117  13.818  -5.777  -0.659
  910   1HG2  THR 117          1HG2      THR 117  15.407  -2.575  -0.989
  911   2HG2  THR 117          2HG2      THR 117  15.625  -4.126  -1.786
  912   3HG2  THR 117          3HG2      THR 117  15.645  -4.024  -0.026
  913    H    LYS 118           H        LYS 118  14.731  -2.445   2.069
  914    HA   LYS 118           HA       LYS 118  15.253  -4.965   3.492
  915   1HB   LYS 118          1HB       LYS 118  17.232  -5.077   2.461
  916   2HB   LYS 118          1HB       LYS 118  16.970  -3.517   1.706
  917   1HG   LYS 118          1HG       LYS 118  18.157  -2.390   3.316
  918   2HG   LYS 118          1HG       LYS 118  17.934  -3.656   4.529
  919   1HD   LYS 118          1HD       LYS 118  20.216  -3.708   3.808
  920   2HD   LYS 118          1HD       LYS 118  19.401  -5.132   3.161
  921   1HE   LYS 118          1HE       LYS 118  19.296  -2.809   1.393
  922   2HE   LYS 118          1HE       LYS 118  20.932  -3.377   1.718
  923   1HZ   LYS 118          1HZ       LYS 118  19.654  -5.676   1.231
  924   2HZ   LYS 118          2HZ       LYS 118  20.485  -4.790   0.055
  925   3HZ   LYS 118          3HZ       LYS 118  18.808  -4.629   0.205
  926    H    THR 119           H        THR 119  15.766  -1.501   3.549
  927    HA   THR 119           HA       THR 119  16.736  -1.646   6.262
  928    HB   THR 119           HB       THR 119  16.618   0.953   5.010
  929    HG1  THR 119          1HG       THR 119  17.101   0.327   3.080
  930   1HG2  THR 119          1HG2      THR 119  18.448  -0.563   6.530
  931   2HG2  THR 119          2HG2      THR 119  18.653   1.081   5.914
  932   3HG2  THR 119          3HG2      THR 119  19.192  -0.303   4.947
  933    H    TYR 120           H        TYR 120  13.643  -0.488   4.989
  934    HA   TYR 120           HA       TYR 120  13.570   1.364   7.226
  935   1HB   TYR 120          1HB       TYR 120  11.619   1.068   4.975
  936   2HB   TYR 120          1HB       TYR 120  11.685   2.353   6.161
  937    HD1  TYR 120          1HD       TYR 120  14.723   2.642   6.175
  938    HD2  TYR 120          2HD       TYR 120  11.852   2.416   3.056
  939    HE1  TYR 120          1HE       TYR 120  16.206   3.961   4.725
  940    HE2  TYR 120          2HE       TYR 120  13.323   3.724   1.592
  941    HH   TYR 120           HH       TYR 120  15.202   5.417   1.906
  942    H    THR 121           H        THR 121  12.980  -1.673   7.477
  943    HA   THR 121           HA       THR 121  10.319  -1.402   8.679
  944    HB   THR 121           HB       THR 121   9.796  -3.396   7.883
  945    HG1  THR 121          1HG       THR 121  11.940  -4.952   8.314
  946   1HG2  THR 121          1HG2      THR 121  10.898  -4.236   6.054
  947   2HG2  THR 121          2HG2      THR 121  12.490  -3.830   6.700
  948   3HG2  THR 121          3HG2      THR 121  11.435  -2.554   6.087
  949    H    VAL 122           H        VAL 122  13.451  -1.584   9.287
  950    HA   VAL 122           HA       VAL 122  13.099  -2.287  12.126
  951    HB   VAL 122           HB       VAL 122  15.730  -2.670  10.730
  952   1HG1  VAL 122          1HG1      VAL 122  14.549  -3.429  13.361
  953   2HG1  VAL 122          2HG1      VAL 122  16.126  -2.730  12.992
  954   3HG1  VAL 122          3HG1      VAL 122  15.818  -4.434  12.658
  955   1HG2  VAL 122          1HG2      VAL 122  13.492  -4.673  10.997
  956   2HG2  VAL 122          2HG2      VAL 122  15.157  -5.094  10.594
  957   3HG2  VAL 122          3HG2      VAL 122  14.219  -4.070   9.507
  958    H    GLY 123           H        GLY 123  14.460  -0.198   9.746
  959   1HA   GLY 123          2HA       GLY 123  15.199   1.720  11.848
  960   2HA   GLY 123          1HA       GLY 123  16.236   1.454  10.443
  961    H    CYS 124           H        CYS 124  12.793   1.409  10.572
  962    HA   CYS 124           HA       CYS 124  12.165   2.705   8.286
  963   1HB   CYS 124          1HB       CYS 124  10.105   3.443  10.031
  964   2HB   CYS 124          1HB       CYS 124  10.208   2.027   9.012
  965    H    GLU 125           H        GLU 125  14.150   4.375   8.814
  966    HA   GLU 125           HA       GLU 125  12.792   6.913   9.381
  967   1HB   GLU 125          1HB       GLU 125  15.435   7.379  10.066
  968   2HB   GLU 125          1HB       GLU 125  14.104   7.131  11.192
  969   1HG   GLU 125          1HG       GLU 125  14.575   4.654  10.973
  970   2HG   GLU 125          1HG       GLU 125  16.083   5.133  10.179
  971    H    GLU 126           H        GLU 126  12.505   7.132   7.078
  972    HA   GLU 126           HA       GLU 126  14.387   6.925   5.162
  973   1HB   GLU 126          1HB       GLU 126  13.214   8.752   3.952
  974   2HB   GLU 126          1HB       GLU 126  12.145   7.530   4.617
  975   1HG   GLU 126          1HG       GLU 126  10.997   9.111   5.646
  976   2HG   GLU 126          1HG       GLU 126  12.427   9.518   6.588
  Start of MODEL    8
    1   1H    CYS   1          1HT       CYS   1  -9.496  16.181   3.281
    2   2H    CYS   1          2HT       CYS   1  -9.786  15.622   1.685
    3   3H    CYS   1          3HT       CYS   1  -8.402  16.579   2.024
    4    HA   CYS   1           HA       CYS   1  -7.963  14.658   3.717
    5   1HB   CYS   1          1HB       CYS   1  -9.184  12.818   3.366
    6   2HB   CYS   1          1HB       CYS   1 -10.186  13.741   2.263
    7    H    THR   2           H        THR   2  -8.074  15.351   0.298
    8    HA   THR   2           HA       THR   2  -5.925  13.813  -0.483
    9    HB   THR   2           HB       THR   2  -7.375  14.776  -2.140
   10    HG1  THR   2          1HG       THR   2  -5.088  16.249  -2.707
   11   1HG2  THR   2          1HG2      THR   2  -6.581  17.376  -0.936
   12   2HG2  THR   2          2HG2      THR   2  -8.171  16.797  -1.426
   13   3HG2  THR   2          3HG2      THR   2  -7.001  17.301  -2.646
   14    H    CYS   3           H        CYS   3  -4.232  13.919   0.980
   15    HA   CYS   3           HA       CYS   3  -2.929  16.510   1.393
   16   1HB   CYS   3          1HB       CYS   3  -2.260  15.703   3.414
   17   2HB   CYS   3          1HB       CYS   3  -3.573  14.587   3.172
   18    H    VAL   4           H        VAL   4  -0.364  15.948   1.828
   19    HA   VAL   4           HA       VAL   4   0.528  14.840  -0.739
   20    HB   VAL   4           HB       VAL   4   2.432  16.230  -0.686
   21   1HG1  VAL   4          1HG1      VAL   4  -0.143  17.275  -0.604
   22   2HG1  VAL   4          2HG1      VAL   4   1.299  18.040  -1.271
   23   3HG1  VAL   4          3HG1      VAL   4   0.825  18.356   0.397
   24   1HG2  VAL   4          1HG2      VAL   4   3.001  17.667   1.241
   25   2HG2  VAL   4          2HG2      VAL   4   3.106  15.947   1.614
   26   3HG2  VAL   4          3HG2      VAL   4   1.720  16.886   2.168
   27    HA   PRO   5           HA       PRO   5   2.875  11.384   0.637
   28   1HB   PRO   5          1HB       PRO   5   5.329  13.034   0.146
   29   2HB   PRO   5          1HB       PRO   5   5.002  11.352  -0.291
   30   1HG   PRO   5          1HG       PRO   5   4.785  13.312  -2.093
   31   2HG   PRO   5          1HG       PRO   5   3.669  11.935  -2.087
   32   1HD   PRO   5          1HD       PRO   5   3.188  14.746  -1.331
   33   2HD   PRO   5          1HD       PRO   5   2.036  13.509  -1.854
   34    HA   PRO   6           HA       PRO   6   3.845  12.816   4.848
   35   1HB   PRO   6          1HB       PRO   6   2.692  10.782   6.136
   36   2HB   PRO   6          1HB       PRO   6   1.709  12.055   5.402
   37   1HG   PRO   6          1HG       PRO   6   2.223   9.279   4.465
   38   2HG   PRO   6          1HG       PRO   6   0.769  10.271   4.300
   39   1HD   PRO   6          1HD       PRO   6   2.734   9.852   2.335
   40   2HD   PRO   6          1HD       PRO   6   1.450  11.075   2.296
   41    H    HIS   7           H        HIS   7   5.679  12.430   5.876
   42    HA   HIS   7           HA       HIS   7   7.755  11.149   5.202
   43   1HB   HIS   7          1HB       HIS   7   6.693  11.285   8.019
   44   2HB   HIS   7          1HB       HIS   7   8.348  10.833   7.632
   45    HD1  HIS   7          1HD       HIS   7   9.189  12.928   8.935
   46    HD2  HIS   7          2HD       HIS   7   6.845  13.802   5.616
   47    HE1  HIS   7          1HE       HIS   7   9.515  15.382   8.507
   48    HE2  HIS   7          2HE       HIS   7   8.009  15.907   6.559
   49    HA   PRO   8           HA       PRO   8   6.997   6.800   4.915
   50   1HB   PRO   8          1HB       PRO   8   9.546   6.054   4.499
   51   2HB   PRO   8          1HB       PRO   8   8.564   6.805   3.230
   52   1HG   PRO   8          1HG       PRO   8  10.497   8.082   5.120
   53   2HG   PRO   8          1HG       PRO   8  10.414   8.264   3.357
   54   1HD   PRO   8          1HD       PRO   8   9.355  10.114   4.969
   55   2HD   PRO   8          1HD       PRO   8   8.500   9.616   3.492
   56    H    GLN   9           H        GLN   9   9.267   8.387   7.162
   57    HA   GLN   9           HA       GLN   9   9.896   6.124   8.679
   58   1HB   GLN   9          1HB       GLN   9  11.009   7.789   9.737
   59   2HB   GLN   9          1HB       GLN   9  10.060   9.010   8.939
   60   1HG   GLN   9          1HG       GLN   9   9.739   9.495  11.164
   61   2HG   GLN   9          1HG       GLN   9   8.322   8.525  10.810
   62   1HE2  GLN   9          1HE2      GLN   9  11.544   8.433  12.186
   63   2HE2  GLN   9          2HE2      GLN   9  11.245   7.129  13.278
   64    H    THR  10           H        THR  10   7.533   8.619   9.197
   65    HA   THR  10           HA       THR  10   5.911   7.280  10.893
   66    HB   THR  10           HB       THR  10   5.457   9.496   8.929
   67    HG1  THR  10          1HG       THR  10   6.364  10.279  10.692
   68   1HG2  THR  10          1HG2      THR  10   3.255   9.537   9.048
   69   2HG2  THR  10          2HG2      THR  10   3.289   9.345  10.802
   70   3HG2  THR  10          3HG2      THR  10   3.311   7.925   9.758
   71    H    ALA  11           H        ALA  11   5.432   7.440   7.292
   72    HA   ALA  11           HA       ALA  11   3.234   5.754   7.232
   73   1HB   ALA  11          1HB       ALA  11   3.453   5.801   4.996
   74   2HB   ALA  11          2HB       ALA  11   5.211   5.653   5.049
   75   3HB   ALA  11          3HB       ALA  11   4.444   7.199   5.429
   76    H    PHE  12           H        PHE  12   6.668   4.864   6.718
   77    HA   PHE  12           HA       PHE  12   6.165   2.120   6.428
   78   1HB   PHE  12          1HB       PHE  12   8.413   3.475   6.080
   79   2HB   PHE  12          1HB       PHE  12   8.704   3.000   7.754
   80    HD1  PHE  12          1HD       PHE  12   9.901   1.055   8.079
   81    HD2  PHE  12          2HD       PHE  12   7.498   1.428   4.585
   82    HE1  PHE  12          1HE       PHE  12  10.647  -1.165   7.319
   83    HE2  PHE  12          2HE       PHE  12   8.251  -0.788   3.827
   84    HZ   PHE  12           HZ       PHE  12   9.831  -2.086   5.194
   85    H    CYS  13           H        CYS  13   7.496   3.788   9.288
   86    HA   CYS  13           HA       CYS  13   7.367   1.618  10.954
   87   1HB   CYS  13          1HB       CYS  13   7.701   4.531  11.279
   88   2HB   CYS  13          1HB       CYS  13   7.249   3.635  12.714
   89    H    ASN  14           H        ASN  14   4.887   4.249  10.681
   90    HA   ASN  14           HA       ASN  14   3.392   3.180  12.799
   91   1HB   ASN  14          1HB       ASN  14   3.323   5.535  11.780
   92   2HB   ASN  14          1HB       ASN  14   2.277   4.842  10.545
   93   1HD2  ASN  14          1HD2      ASN  14   2.397   6.300  13.536
   94   2HD2  ASN  14          2HD2      ASN  14   0.794   5.943  14.071
   95    H    SER  15           H        SER  15   3.243   2.576   9.227
   96    HA   SER  15           HA       SER  15   0.860   1.153   9.300
   97   1HB   SER  15          1HB       SER  15   2.657   2.093   7.381
   98   2HB   SER  15          1HB       SER  15   2.474   0.382   7.104
   99    HG   SER  15           HG       SER  15   0.797   2.355   6.505
  100    H    ASP  16           H        ASP  16   0.482  -0.756   9.255
  101    HA   ASP  16           HA       ASP  16   2.353  -2.739  10.170
  102   1HB   ASP  16          1HB       ASP  16  -0.547  -2.393  10.283
  103   2HB   ASP  16          1HB       ASP  16   0.051  -4.046  10.320
  104    H    LEU  17           H        LEU  17   1.738  -1.862   7.278
  105    HA   LEU  17           HA       LEU  17   2.368  -4.379   6.184
  106   1HB   LEU  17          1HB       LEU  17  -0.454  -3.710   6.089
  107   2HB   LEU  17          1HB       LEU  17   0.230  -3.974   4.493
  108    HG   LEU  17           HG       LEU  17   0.439  -5.925   6.784
  109   1HD1  LEU  17          1HD1      LEU  17  -1.066  -6.808   4.481
  110   2HD1  LEU  17          2HD1      LEU  17  -1.799  -5.386   5.222
  111   3HD1  LEU  17          3HD1      LEU  17  -1.499  -6.832   6.187
  112   1HD2  LEU  17          1HD2      LEU  17   1.354  -7.448   5.186
  113   2HD2  LEU  17          2HD2      LEU  17   2.279  -5.952   5.094
  114   3HD2  LEU  17          3HD2      LEU  17   1.072  -6.314   3.865
  115    H    VAL  18           H        VAL  18   3.883  -3.894   4.772
  116    HA   VAL  18           HA       VAL  18   3.441  -1.648   2.939
  117    HB   VAL  18           HB       VAL  18   6.143  -2.278   4.105
  118   1HG1  VAL  18          1HG1      VAL  18   6.601  -1.006   2.309
  119   2HG1  VAL  18          2HG1      VAL  18   6.222   0.312   3.418
  120   3HG1  VAL  18          3HG1      VAL  18   5.002  -0.261   2.280
  121   1HG2  VAL  18          1HG2      VAL  18   3.953  -0.932   5.443
  122   2HG2  VAL  18          2HG2      VAL  18   5.339   0.139   5.238
  123   3HG2  VAL  18          3HG2      VAL  18   5.534  -1.406   6.064
  124    H    ILE  19           H        ILE  19   3.615  -2.433   0.879
  125    HA   ILE  19           HA       ILE  19   5.614  -4.491   0.333
  126    HB   ILE  19           HB       ILE  19   3.925  -5.969  -0.674
  127   1HG1  ILE  19          1HG1      ILE  19   1.634  -4.784   0.702
  128   2HG1  ILE  19          1HG1      ILE  19   2.297  -3.725  -0.534
  129   1HG2  ILE  19          1HG2      ILE  19   2.844  -5.658   2.045
  130   2HG2  ILE  19          2HG2      ILE  19   4.593  -5.842   1.920
  131   3HG2  ILE  19          3HG2      ILE  19   3.533  -7.065   1.241
  132   1HD1  ILE  19          1HD1      ILE  19   2.100  -6.369  -1.578
  133   2HD1  ILE  19          2HD1      ILE  19   1.300  -4.891  -2.112
  134   3HD1  ILE  19          3HD1      ILE  19   0.558  -5.894  -0.866
  135    H    ARG  20           H        ARG  20   5.860  -4.980  -1.813
  136    HA   ARG  20           HA       ARG  20   5.063  -2.870  -3.646
  137   1HB   ARG  20          1HB       ARG  20   6.743  -4.093  -5.209
  138   2HB   ARG  20          1HB       ARG  20   7.342  -3.060  -3.925
  139   1HG   ARG  20          1HG       ARG  20   7.673  -5.101  -2.541
  140   2HG   ARG  20          1HG       ARG  20   7.246  -6.063  -3.959
  141   1HD   ARG  20          1HD       ARG  20   9.077  -4.469  -5.073
  142   2HD   ARG  20          1HD       ARG  20   9.669  -4.443  -3.423
  143    HE   ARG  20           HE       ARG  20   9.287  -7.079  -3.993
  144   1HH1  ARG  20          1HH1      ARG  20  11.124  -4.496  -5.434
  145   2HH1  ARG  20          2HH1      ARG  20  12.377  -5.545  -6.009
  146   1HH2  ARG  20          1HH2      ARG  20  10.932  -8.460  -4.719
  147   2HH2  ARG  20          2HH2      ARG  20  12.268  -7.802  -5.600
  148    H    ALA  21           H        ALA  21   3.736  -3.145  -5.104
  149    HA   ALA  21           HA       ALA  21   3.006  -5.732  -6.219
  150   1HB   ALA  21          1HB       ALA  21   1.745  -5.915  -4.243
  151   2HB   ALA  21          2HB       ALA  21   0.603  -5.555  -5.540
  152   3HB   ALA  21          3HB       ALA  21   1.095  -4.286  -4.417
  153    H    LYS  22           H        LYS  22   1.244  -5.743  -7.629
  154    HA   LYS  22           HA       LYS  22   0.937  -3.276  -9.215
  155   1HB   LYS  22          1HB       LYS  22   1.462  -6.073  -9.938
  156   2HB   LYS  22          1HB       LYS  22   0.243  -5.283 -10.920
  157   1HG   LYS  22          1HG       LYS  22   1.884  -3.541 -11.437
  158   2HG   LYS  22          1HG       LYS  22   3.069  -4.381 -10.442
  159   1HD   LYS  22          1HD       LYS  22   1.702  -5.892 -12.608
  160   2HD   LYS  22          1HD       LYS  22   2.938  -4.726 -13.046
  161   1HE   LYS  22          1HE       LYS  22   3.197  -7.258 -11.496
  162   2HE   LYS  22          1HE       LYS  22   4.115  -6.706 -12.894
  163   1HZ   LYS  22          1HZ       LYS  22   5.617  -5.786 -11.580
  164   2HZ   LYS  22          2HZ       LYS  22   4.862  -6.534 -10.268
  165   3HZ   LYS  22          3HZ       LYS  22   4.453  -4.952 -10.685
  166    H    PHE  23           H        PHE  23  -1.165  -2.899 -10.118
  167    HA   PHE  23           HA       PHE  23  -3.311  -4.141  -8.546
  168   1HB   PHE  23          1HB       PHE  23  -2.963  -1.554  -9.966
  169   2HB   PHE  23          1HB       PHE  23  -4.589  -2.222  -9.929
  170    HD1  PHE  23          1HD       PHE  23  -1.763  -1.154  -7.793
  171    HD2  PHE  23          2HD       PHE  23  -5.920  -2.015  -8.033
  172    HE1  PHE  23          1HE       PHE  23  -2.074  -0.256  -5.523
  173    HE2  PHE  23          2HE       PHE  23  -6.235  -1.112  -5.769
  174    HZ   PHE  23           HZ       PHE  23  -4.318  -0.241  -4.506
  175    H    VAL  24           H        VAL  24  -4.390  -5.636  -9.220
  176    HA   VAL  24           HA       VAL  24  -4.912  -5.902 -12.073
  177    HB   VAL  24           HB       VAL  24  -4.574  -8.334 -11.736
  178   1HG1  VAL  24          1HG1      VAL  24  -2.515  -6.272 -11.915
  179   2HG1  VAL  24          2HG1      VAL  24  -2.938  -7.557 -13.045
  180   3HG1  VAL  24          3HG1      VAL  24  -1.951  -7.920 -11.636
  181   1HG2  VAL  24          1HG2      VAL  24  -4.114  -9.200  -9.780
  182   2HG2  VAL  24          2HG2      VAL  24  -4.146  -7.586  -9.070
  183   3HG2  VAL  24          3HG2      VAL  24  -2.646  -8.241  -9.710
  184    H    GLY  25           H        GLY  25  -6.760  -4.892 -10.304
  185   1HA   GLY  25          2HA       GLY  25  -8.994  -6.537 -10.768
  186   2HA   GLY  25          1HA       GLY  25  -8.568  -6.601  -9.068
  187    H    THR  26           H        THR  26 -10.990  -5.540  -9.837
  188    HA   THR  26           HA       THR  26 -10.661  -2.634  -9.775
  189    HB   THR  26           HB       THR  26 -12.119  -3.707 -11.478
  190    HG1  THR  26          1HG       THR  26 -13.157  -1.910 -11.390
  191   1HG2  THR  26          1HG2      THR  26 -13.914  -4.981 -11.036
  192   2HG2  THR  26          2HG2      THR  26 -14.268  -4.150  -9.520
  193   3HG2  THR  26          3HG2      THR  26 -12.992  -5.366  -9.583
  194    HA   PRO  27           HA       PRO  27 -11.894  -2.276  -5.586
  195   1HB   PRO  27          1HB       PRO  27 -12.797   0.227  -5.476
  196   2HB   PRO  27          1HB       PRO  27 -11.117  -0.154  -5.861
  197   1HG   PRO  27          1HG       PRO  27 -13.357   0.534  -7.720
  198   2HG   PRO  27          1HG       PRO  27 -11.693   1.147  -7.708
  199   1HD   PRO  27          1HD       PRO  27 -12.555  -0.858  -9.347
  200   2HD   PRO  27          1HD       PRO  27 -10.879  -0.696  -8.801
  201    H    GLU  28           H        GLU  28 -13.433  -3.102  -4.434
  202    HA   GLU  28           HA       GLU  28 -16.209  -2.972  -5.349
  203   1HB   GLU  28          1HB       GLU  28 -14.638  -4.856  -3.867
  204   2HB   GLU  28          1HB       GLU  28 -16.031  -4.386  -2.899
  205   1HG   GLU  28          1HG       GLU  28 -17.253  -4.777  -5.236
  206   2HG   GLU  28          1HG       GLU  28 -15.899  -5.887  -5.437
  207    H    VAL  29           H        VAL  29 -17.335  -1.205  -4.750
  208    HA   VAL  29           HA       VAL  29 -16.733   0.007  -2.151
  209    HB   VAL  29           HB       VAL  29 -18.422   1.279  -4.269
  210   1HG1  VAL  29          1HG1      VAL  29 -16.605   2.823  -2.530
  211   2HG1  VAL  29          2HG1      VAL  29 -17.998   2.069  -1.757
  212   3HG1  VAL  29          3HG1      VAL  29 -18.233   3.195  -3.094
  213   1HG2  VAL  29          1HG2      VAL  29 -16.182   2.469  -4.847
  214   2HG2  VAL  29          2HG2      VAL  29 -16.530   0.885  -5.540
  215   3HG2  VAL  29          3HG2      VAL  29 -15.446   1.021  -4.159
  216    H    ASN  30           H        ASN  30 -18.077  -1.073  -0.593
  217    HA   ASN  30           HA       ASN  30 -20.843  -1.502  -1.167
  218   1HB   ASN  30          1HB       ASN  30 -19.288  -2.525   0.749
  219   2HB   ASN  30          1HB       ASN  30 -19.999  -1.200   1.669
  220   1HD2  ASN  30          1HD2      ASN  30 -22.002  -1.424   2.467
  221   2HD2  ASN  30          2HD2      ASN  30 -23.072  -2.727   2.101
  222    H    GLN  31           H        GLN  31 -22.583  -0.423  -0.223
  223    HA   GLN  31           HA       GLN  31 -22.301   2.469  -0.227
  224   1HB   GLN  31          1HB       GLN  31 -24.769   0.770   0.175
  225   2HB   GLN  31          1HB       GLN  31 -24.755   2.498  -0.172
  226   1HG   GLN  31          1HG       GLN  31 -23.541   0.507  -2.041
  227   2HG   GLN  31          1HG       GLN  31 -25.266   0.872  -2.076
  228   1HE2  GLN  31          1HE2      GLN  31 -22.058   2.283  -2.347
  229   2HE2  GLN  31          2HE2      GLN  31 -22.523   3.620  -3.339
  230    H    THR  32           H        THR  32 -22.108   0.027   2.021
  231    HA   THR  32           HA       THR  32 -22.630   1.881   4.223
  232    HB   THR  32           HB       THR  32 -24.084  -0.569   3.413
  233    HG1  THR  32          1HG       THR  32 -25.066   1.301   5.231
  234   1HG2  THR  32          1HG2      THR  32 -24.676  -1.433   5.471
  235   2HG2  THR  32          2HG2      THR  32 -24.023  -0.056   6.357
  236   3HG2  THR  32          3HG2      THR  32 -22.935  -1.228   5.619
  237    H    THR  33           H        THR  33 -20.150   1.160   3.207
  238    HA   THR  33           HA       THR  33 -19.135  -0.759   5.178
  239    HB   THR  33           HB       THR  33 -18.146  -1.494   3.259
  240    HG1  THR  33          1HG       THR  33 -16.101  -0.713   3.064
  241   1HG2  THR  33          1HG2      THR  33 -19.276   0.558   1.961
  242   2HG2  THR  33          2HG2      THR  33 -18.099  -0.526   1.226
  243   3HG2  THR  33          3HG2      THR  33 -17.580   1.024   1.888
  244    H    LEU  34           H        LEU  34 -18.417   2.193   3.391
  245    HA   LEU  34           HA       LEU  34 -17.617   4.200   4.309
  246   1HB   LEU  34          1HB       LEU  34 -17.295   2.522   6.696
  247   2HB   LEU  34          1HB       LEU  34 -16.035   3.676   6.417
  248    HG   LEU  34           HG       LEU  34 -18.967   4.341   6.576
  249   1HD1  LEU  34          1HD1      LEU  34 -18.825   4.551   8.780
  250   2HD1  LEU  34          2HD1      LEU  34 -17.292   5.415   8.676
  251   3HD1  LEU  34          3HD1      LEU  34 -17.312   3.650   8.680
  252   1HD2  LEU  34          1HD2      LEU  34 -17.124   5.769   5.277
  253   2HD2  LEU  34          2HD2      LEU  34 -16.829   6.367   6.914
  254   3HD2  LEU  34          3HD2      LEU  34 -18.434   6.519   6.198
  255    H    TYR  35           H        TYR  35 -16.374   1.236   3.617
  256    HA   TYR  35           HA       TYR  35 -13.907   2.352   2.560
  257   1HB   TYR  35          1HB       TYR  35 -12.779   0.107   3.293
  258   2HB   TYR  35          1HB       TYR  35 -12.833   1.500   4.351
  259    HD1  TYR  35          1HD       TYR  35 -13.705  -1.918   3.959
  260    HD2  TYR  35          2HD       TYR  35 -14.587   1.649   6.068
  261    HE1  TYR  35          1HE       TYR  35 -14.783  -3.243   5.731
  262    HE2  TYR  35          2HE       TYR  35 -15.655   0.374   7.832
  263    HH   TYR  35           HH       TYR  35 -15.292  -2.335   8.641
  264    H    GLN  36           H        GLN  36 -12.741   0.839   1.178
  265    HA   GLN  36           HA       GLN  36 -14.584  -0.874  -0.343
  266   1HB   GLN  36          1HB       GLN  36 -12.627   1.194  -1.328
  267   2HB   GLN  36          1HB       GLN  36 -13.461   0.050  -2.376
  268   1HG   GLN  36          1HG       GLN  36 -15.408   1.176  -2.249
  269   2HG   GLN  36          1HG       GLN  36 -15.116   1.700  -0.592
  270   1HE2  GLN  36          1HE2      GLN  36 -14.003   2.220  -3.922
  271   2HE2  GLN  36          2HE2      GLN  36 -13.683   3.906  -3.730
  272    H    ARG  37           H        ARG  37 -13.089  -1.977  -2.129
  273    HA   ARG  37           HA       ARG  37 -10.512  -2.616  -0.999
  274   1HB   ARG  37          1HB       ARG  37 -10.794  -4.850  -0.647
  275   2HB   ARG  37          1HB       ARG  37 -12.379  -4.256  -0.190
  276   1HG   ARG  37          1HG       ARG  37 -13.354  -5.045  -2.180
  277   2HG   ARG  37          1HG       ARG  37 -11.778  -5.321  -2.929
  278   1HD   ARG  37          1HD       ARG  37 -12.064  -7.443  -2.259
  279   2HD   ARG  37          1HD       ARG  37 -11.570  -6.830  -0.682
  280    HE   ARG  37           HE       ARG  37 -13.734  -7.060   0.068
  281   1HH1  ARG  37          1HH1      ARG  37 -13.638  -7.485  -3.394
  282   2HH1  ARG  37          2HH1      ARG  37 -15.256  -8.090  -3.491
  283   1HH2  ARG  37          1HH2      ARG  37 -15.864  -7.858  -0.055
  284   2HH2  ARG  37          2HH2      ARG  37 -16.522  -8.301  -1.596
  285    H    TYR  38           H        TYR  38  -9.076  -3.454  -2.383
  286    HA   TYR  38           HA       TYR  38  -9.740  -3.419  -5.270
  287   1HB   TYR  38          1HB       TYR  38  -7.366  -2.099  -3.934
  288   2HB   TYR  38          1HB       TYR  38  -7.403  -2.469  -5.640
  289    HD1  TYR  38          1HD       TYR  38  -9.591  -0.665  -3.155
  290    HD2  TYR  38          2HD       TYR  38  -7.805  -0.664  -7.031
  291    HE1  TYR  38          1HE       TYR  38 -10.519   1.574  -3.596
  292    HE2  TYR  38          2HE       TYR  38  -8.747   1.551  -7.472
  293    HH   TYR  38           HH       TYR  38  -9.819   3.583  -5.229
  294    H    GLU  39           H        GLU  39  -8.413  -4.863  -6.548
  295    HA   GLU  39           HA       GLU  39  -7.022  -6.911  -4.961
  296   1HB   GLU  39          1HB       GLU  39  -8.931  -7.480  -6.572
  297   2HB   GLU  39          1HB       GLU  39  -7.831  -7.039  -7.861
  298   1HG   GLU  39          1HG       GLU  39  -6.347  -8.814  -7.317
  299   2HG   GLU  39          1HG       GLU  39  -7.247  -9.181  -5.846
  300    H    ILE  40           H        ILE  40  -4.835  -7.419  -5.464
  301    HA   ILE  40           HA       ILE  40  -3.666  -5.824  -7.619
  302    HB   ILE  40           HB       ILE  40  -1.776  -5.230  -5.961
  303   1HG1  ILE  40          1HG1      ILE  40  -2.760  -6.703  -4.164
  304   2HG1  ILE  40          1HG1      ILE  40  -2.294  -5.081  -3.662
  305   1HG2  ILE  40          1HG2      ILE  40  -2.584  -3.181  -6.229
  306   2HG2  ILE  40          2HG2      ILE  40  -3.897  -3.500  -5.100
  307   3HG2  ILE  40          3HG2      ILE  40  -4.091  -3.889  -6.807
  308   1HD1  ILE  40          1HD1      ILE  40  -4.998  -6.268  -3.964
  309   2HD1  ILE  40          2HD1      ILE  40  -4.794  -4.537  -4.155
  310   3HD1  ILE  40          3HD1      ILE  40  -4.327  -5.320  -2.646
  311    H    LYS  41           H        LYS  41  -2.050  -6.704  -8.600
  312    HA   LYS  41           HA       LYS  41  -1.203  -9.335  -8.043
  313   1HB   LYS  41          1HB       LYS  41  -0.950  -7.488 -10.175
  314   2HB   LYS  41          1HB       LYS  41   0.669  -8.012  -9.754
  315   1HG   LYS  41          1HG       LYS  41  -1.651  -9.790 -10.462
  316   2HG   LYS  41          1HG       LYS  41  -0.269  -9.421 -11.494
  317   1HD   LYS  41          1HD       LYS  41   0.284 -10.565  -8.803
  318   2HD   LYS  41          1HD       LYS  41  -0.415 -11.634 -10.018
  319   1HE   LYS  41          1HE       LYS  41   2.038 -11.740  -9.990
  320   2HE   LYS  41          1HE       LYS  41   1.408 -11.177 -11.535
  321   1HZ   LYS  41          1HZ       LYS  41   3.050  -9.669 -11.199
  322   2HZ   LYS  41          2HZ       LYS  41   2.944  -9.726  -9.512
  323   3HZ   LYS  41          3HZ       LYS  41   1.806  -8.856 -10.402
  324    H    MET  42           H        MET  42  -0.470  -9.118  -5.866
  325    HA   MET  42           HA       MET  42   1.491  -7.378  -4.989
  326   1HB   MET  42          1HB       MET  42   0.059  -8.678  -3.502
  327   2HB   MET  42          1HB       MET  42   0.864 -10.154  -4.014
  328   1HG   MET  42          1HG       MET  42   2.527  -7.969  -2.894
  329   2HG   MET  42          1HG       MET  42   1.515  -8.899  -1.791
  330   1HE   MET  42          1HE       MET  42   1.165 -11.366  -2.742
  331   2HE   MET  42          2HE       MET  42   2.344 -12.173  -1.721
  332   3HE   MET  42          3HE       MET  42   2.445 -12.336  -3.470
  333    H    THR  43           H        THR  43   3.626  -7.240  -5.271
  334    HA   THR  43           HA       THR  43   4.847  -9.338  -6.824
  335    HB   THR  43           HB       THR  43   6.660  -7.856  -7.252
  336    HG1  THR  43          1HG       THR  43   5.633  -6.380  -5.108
  337   1HG2  THR  43          1HG2      THR  43   5.401  -6.849  -8.740
  338   2HG2  THR  43          2HG2      THR  43   5.046  -5.610  -7.539
  339   3HG2  THR  43          3HG2      THR  43   3.970  -6.995  -7.723
  340    H    LYS  44           H        LYS  44   5.825  -7.450  -3.914
  341    HA   LYS  44           HA       LYS  44   6.504  -9.851  -2.515
  342   1HB   LYS  44          1HB       LYS  44   8.664  -7.820  -3.079
  343   2HB   LYS  44          1HB       LYS  44   8.810  -9.197  -2.007
  344   1HG   LYS  44          1HG       LYS  44   8.024 -10.337  -4.375
  345   2HG   LYS  44          1HG       LYS  44   9.102  -9.042  -4.891
  346   1HD   LYS  44          1HD       LYS  44  10.765 -10.474  -4.454
  347   2HD   LYS  44          1HD       LYS  44  10.431 -10.151  -2.750
  348   1HE   LYS  44          1HE       LYS  44   8.743 -12.022  -2.852
  349   2HE   LYS  44          1HE       LYS  44   9.392 -12.414  -4.442
  350   1HZ   LYS  44          1HZ       LYS  44  10.983 -13.569  -3.461
  351   2HZ   LYS  44          2HZ       LYS  44  10.369 -13.180  -1.935
  352   3HZ   LYS  44          3HZ       LYS  44  11.534 -12.187  -2.654
  353    H    MET  45           H        MET  45   6.605  -9.460  -0.286
  354    HA   MET  45           HA       MET  45   5.462  -6.914   0.522
  355   1HB   MET  45          1HB       MET  45   5.017  -8.058   2.679
  356   2HB   MET  45          1HB       MET  45   4.321  -8.900   1.303
  357   1HG   MET  45          1HG       MET  45   7.005  -9.720   2.329
  358   2HG   MET  45          1HG       MET  45   5.545 -10.215   3.184
  359   1HE   MET  45          1HE       MET  45   7.603 -11.115  -0.392
  360   2HE   MET  45          2HE       MET  45   7.599 -12.636   0.500
  361   3HE   MET  45          3HE       MET  45   8.088 -11.143   1.302
  362    H    TYR  46           H        TYR  46   6.453  -5.454   1.962
  363    HA   TYR  46           HA       TYR  46   9.244  -6.047   2.707
  364   1HB   TYR  46          1HB       TYR  46   7.938  -3.531   1.722
  365   2HB   TYR  46          1HB       TYR  46   9.411  -3.469   2.678
  366    HD1  TYR  46          1HD       TYR  46  10.696  -5.994   1.446
  367    HD2  TYR  46          2HD       TYR  46   8.824  -2.573  -0.256
  368    HE1  TYR  46          1HE       TYR  46  12.054  -6.265  -0.587
  369    HE2  TYR  46          2HE       TYR  46  10.173  -2.838  -2.290
  370    HH   TYR  46           HH       TYR  46  11.556  -4.232  -3.426
  371    H    LYS  47           H        LYS  47   6.514  -6.201   4.181
  372    HA   LYS  47           HA       LYS  47   7.346  -5.679   6.731
  373   1HB   LYS  47          1HB       LYS  47   7.105  -3.235   5.612
  374   2HB   LYS  47          1HB       LYS  47   5.460  -3.459   6.190
  375   1HG   LYS  47          1HG       LYS  47   7.931  -3.724   7.887
  376   2HG   LYS  47          1HG       LYS  47   6.906  -2.290   7.803
  377   1HD   LYS  47          1HD       LYS  47   5.138  -4.378   8.305
  378   2HD   LYS  47          1HD       LYS  47   6.546  -4.740   9.308
  379   1HE   LYS  47          1HE       LYS  47   6.424  -2.283  10.019
  380   2HE   LYS  47          1HE       LYS  47   4.808  -2.299   9.320
  381   1HZ   LYS  47          1HZ       LYS  47   5.820  -3.864  11.614
  382   2HZ   LYS  47          2HZ       LYS  47   4.387  -4.273  10.806
  383   3HZ   LYS  47          3HZ       LYS  47   4.523  -2.777  11.577
  384    H    GLY  48           H        GLY  48   6.117  -7.168   7.651
  385   1HA   GLY  48          2HA       GLY  48   3.563  -7.135   8.400
  386   2HA   GLY  48          1HA       GLY  48   3.397  -7.663   6.731
  387    H    PHE  49           H        PHE  49   6.313  -8.840   7.708
  388    HA   PHE  49           HA       PHE  49   5.728 -11.478   7.594
  389   1HB   PHE  49          1HB       PHE  49   7.810 -10.395   9.475
  390   2HB   PHE  49          1HB       PHE  49   7.829 -11.919   8.595
  391    HD1  PHE  49          1HD       PHE  49   7.598 -11.558   5.926
  392    HD2  PHE  49          2HD       PHE  49   9.183  -8.736   8.693
  393    HE1  PHE  49          1HE       PHE  49   8.861 -10.485   4.106
  394    HE2  PHE  49          2HE       PHE  49  10.447  -7.660   6.877
  395    HZ   PHE  49           HZ       PHE  49  10.288  -8.536   4.581
  396    H    GLN  50           H        GLN  50   5.940  -9.608  10.700
  397    HA   GLN  50           HA       GLN  50   5.248 -11.690  12.371
  398   1HB   GLN  50          1HB       GLN  50   4.632 -10.078  14.003
  399   2HB   GLN  50          1HB       GLN  50   5.934  -9.373  13.060
  400   1HG   GLN  50          1HG       GLN  50   3.523  -8.597  11.828
  401   2HG   GLN  50          1HG       GLN  50   3.330  -8.350  13.565
  402   1HE2  GLN  50          1HE2      GLN  50   3.829  -6.580  11.120
  403   2HE2  GLN  50          2HE2      GLN  50   5.118  -5.557  11.631
  404    H    ALA  51           H        ALA  51   3.215  -9.762  10.278
  405    HA   ALA  51           HA       ALA  51   0.744 -10.813  11.294
  406   1HB   ALA  51          1HB       ALA  51  -0.324  -9.636   9.543
  407   2HB   ALA  51          2HB       ALA  51   1.153  -9.579   8.583
  408   3HB   ALA  51          3HB       ALA  51   1.019  -8.612  10.052
  409    H    LEU  52           H        LEU  52   2.848 -11.411   8.502
  410    HA   LEU  52           HA       LEU  52   1.709 -14.099   8.274
  411   1HB   LEU  52          1HB       LEU  52   1.933 -13.745   5.734
  412   2HB   LEU  52          1HB       LEU  52   0.568 -12.995   6.543
  413    HG   LEU  52           HG       LEU  52   2.813 -11.188   6.529
  414   1HD1  LEU  52          1HD1      LEU  52   2.093 -11.149   3.789
  415   2HD1  LEU  52          2HD1      LEU  52   2.648 -12.775   4.187
  416   3HD1  LEU  52          3HD1      LEU  52   3.684 -11.389   4.512
  417   1HD2  LEU  52          1HD2      LEU  52   0.611 -10.413   4.847
  418   2HD2  LEU  52          2HD2      LEU  52   1.147  -9.736   6.384
  419   3HD2  LEU  52          3HD2      LEU  52   0.031 -11.101   6.364
  420    H    GLY  53           H        GLY  53   3.775 -13.160   5.739
  421   1HA   GLY  53          2HA       GLY  53   6.174 -13.037   5.857
  422   2HA   GLY  53          1HA       GLY  53   6.115 -14.144   7.216
  423    H    ASP  54           H        ASP  54   3.921 -15.033   4.897
  424    HA   ASP  54           HA       ASP  54   5.559 -17.251   4.081
  425   1HB   ASP  54          1HB       ASP  54   3.178 -17.586   4.621
  426   2HB   ASP  54          1HB       ASP  54   2.732 -16.502   3.311
  427    H    ALA  55           H        ALA  55   3.447 -15.807   1.843
  428    HA   ALA  55           HA       ALA  55   5.573 -14.465   0.434
  429   1HB   ALA  55          1HB       ALA  55   4.023 -16.185  -1.360
  430   2HB   ALA  55          2HB       ALA  55   5.084 -17.067  -0.263
  431   3HB   ALA  55          3HB       ALA  55   5.752 -15.841  -1.341
  432    H    ALA  56           H        ALA  56   2.277 -15.654   0.314
  433    HA   ALA  56           HA       ALA  56   1.409 -13.036  -0.762
  434   1HB   ALA  56          1HB       ALA  56  -0.567 -14.859  -1.459
  435   2HB   ALA  56          2HB       ALA  56   0.957 -15.688  -1.769
  436   3HB   ALA  56          3HB       ALA  56   0.634 -14.125  -2.520
  437    H    ASP  57           H        ASP  57   1.088 -12.380   1.534
  438    HA   ASP  57           HA       ASP  57  -1.553 -13.354   2.436
  439   1HB   ASP  57          1HB       ASP  57   0.901 -13.096   3.910
  440   2HB   ASP  57          1HB       ASP  57  -0.337 -12.067   4.613
  441    H    ILE  58           H        ILE  58  -0.736 -11.110   0.584
  442    HA   ILE  58           HA       ILE  58  -2.484  -9.073   1.750
  443    HB   ILE  58           HB       ILE  58   0.094  -8.166   0.521
  444   1HG1  ILE  58          1HG1      ILE  58   0.244  -7.902   3.363
  445   2HG1  ILE  58          1HG1      ILE  58  -0.030  -9.586   2.967
  446   1HG2  ILE  58          1HG2      ILE  58  -1.478  -6.738   2.620
  447   2HG2  ILE  58          2HG2      ILE  58  -2.006  -6.729   0.934
  448   3HG2  ILE  58          3HG2      ILE  58  -0.418  -6.087   1.370
  449   1HD1  ILE  58          1HD1      ILE  58   1.891  -9.599   1.508
  450   2HD1  ILE  58          2HD1      ILE  58   2.343  -9.061   3.126
  451   3HD1  ILE  58          3HD1      ILE  58   2.157  -7.888   1.827
  452    H    ARG  59           H        ARG  59  -3.832  -9.953  -0.106
  453    HA   ARG  59           HA       ARG  59  -2.726  -9.086  -2.676
  454   1HB   ARG  59          1HB       ARG  59  -5.061 -10.939  -2.386
  455   2HB   ARG  59          1HB       ARG  59  -3.942 -10.762  -3.727
  456   1HG   ARG  59          1HG       ARG  59  -2.168 -11.750  -2.381
  457   2HG   ARG  59          1HG       ARG  59  -3.293 -11.937  -1.035
  458   1HD   ARG  59          1HD       ARG  59  -3.624 -13.183  -3.762
  459   2HD   ARG  59          1HD       ARG  59  -3.012 -14.019  -2.335
  460    HE   ARG  59           HE       ARG  59  -5.752 -13.371  -2.926
  461   1HH1  ARG  59          1HH1      ARG  59  -3.461 -14.078  -0.393
  462   2HH1  ARG  59          2HH1      ARG  59  -4.663 -14.672   0.703
  463   1HH2  ARG  59          1HH2      ARG  59  -7.340 -14.156  -1.485
  464   2HH2  ARG  59          2HH2      ARG  59  -6.865 -14.718   0.082
  465    H    PHE  60           H        PHE  60  -4.935  -7.950  -0.530
  466    HA   PHE  60           HA       PHE  60  -6.225  -6.257  -2.481
  467   1HB   PHE  60          1HB       PHE  60  -7.634  -7.862  -0.342
  468   2HB   PHE  60          1HB       PHE  60  -8.393  -6.613  -1.318
  469    HD1  PHE  60          1HD       PHE  60  -6.891  -9.978  -1.393
  470    HD2  PHE  60          2HD       PHE  60  -9.184  -7.071  -3.491
  471    HE1  PHE  60          1HE       PHE  60  -7.509 -11.677  -3.063
  472    HE2  PHE  60          2HE       PHE  60  -9.803  -8.762  -5.165
  473    HZ   PHE  60           HZ       PHE  60  -8.967 -11.070  -4.951
  474    H    VAL  61           H        VAL  61  -6.744  -4.373  -1.850
  475    HA   VAL  61           HA       VAL  61  -5.647  -3.508   0.731
  476    HB   VAL  61           HB       VAL  61  -4.917  -1.607  -0.307
  477   1HG1  VAL  61          1HG1      VAL  61  -4.044  -3.805  -1.326
  478   2HG1  VAL  61          2HG1      VAL  61  -3.558  -2.246  -1.994
  479   3HG1  VAL  61          3HG1      VAL  61  -4.830  -3.181  -2.775
  480   1HG2  VAL  61          1HG2      VAL  61  -5.832  -1.076  -2.741
  481   2HG2  VAL  61          2HG2      VAL  61  -6.632  -0.480  -1.284
  482   3HG2  VAL  61          3HG2      VAL  61  -7.232  -1.927  -2.089
  483    H    TYR  62           H        TYR  62  -7.060  -2.779   2.226
  484    HA   TYR  62           HA       TYR  62  -9.700  -1.924   1.358
  485   1HB   TYR  62          1HB       TYR  62  -8.800  -2.853   4.080
  486   2HB   TYR  62          1HB       TYR  62 -10.455  -2.500   3.602
  487    HD1  TYR  62          1HD       TYR  62 -11.738  -4.368   3.319
  488    HD2  TYR  62          2HD       TYR  62  -7.638  -4.578   2.174
  489    HE1  TYR  62          1HE       TYR  62 -12.049  -6.700   2.621
  490    HE2  TYR  62          2HE       TYR  62  -7.943  -6.904   1.483
  491    HH   TYR  62           HH       TYR  62  -9.460  -8.783   1.936
  492    H    THR  63           H        THR  63  -9.863   0.135   1.134
  493    HA   THR  63           HA       THR  63  -8.948   1.966   3.273
  494    HB   THR  63           HB       THR  63  -7.694   2.314   1.210
  495    HG1  THR  63          1HG       THR  63  -7.911   4.436   1.228
  496   1HG2  THR  63          1HG2      THR  63  -8.910   3.197  -0.780
  497   2HG2  THR  63          2HG2      THR  63 -10.398   2.635  -0.030
  498   3HG2  THR  63          3HG2      THR  63  -9.134   1.483  -0.458
  499    HA   PRO  64           HA       PRO  64 -13.119   3.275   3.996
  500   1HB   PRO  64          1HB       PRO  64 -12.137   6.087   3.969
  501   2HB   PRO  64          1HB       PRO  64 -12.984   5.194   5.236
  502   1HG   PRO  64          1HG       PRO  64 -10.387   5.712   5.457
  503   2HG   PRO  64          1HG       PRO  64 -11.046   4.148   5.975
  504   1HD   PRO  64          1HD       PRO  64  -9.555   4.841   3.471
  505   2HD   PRO  64          1HD       PRO  64  -9.404   3.410   4.512
  506    H    ALA  65           H        ALA  65 -14.841   3.751   2.912
  507    HA   ALA  65           HA       ALA  65 -14.799   4.975   0.333
  508   1HB   ALA  65          1HB       ALA  65 -16.632   3.019   1.615
  509   2HB   ALA  65          2HB       ALA  65 -15.669   2.838   0.157
  510   3HB   ALA  65          3HB       ALA  65 -17.081   3.884   0.145
  511    H    MET  66           H        MET  66 -15.125   7.071   0.519
  512    HA   MET  66           HA       MET  66 -17.695   7.938   1.571
  513   1HB   MET  66          1HB       MET  66 -15.319   8.335   2.995
  514   2HB   MET  66          1HB       MET  66 -15.671   9.889   2.247
  515   1HG   MET  66          1HG       MET  66 -17.482  10.248   3.532
  516   2HG   MET  66          1HG       MET  66 -17.938   8.544   3.559
  517   1HE   MET  66          1HE       MET  66 -17.018  11.344   5.709
  518   2HE   MET  66          2HE       MET  66 -15.422  11.213   4.968
  519   3HE   MET  66          3HE       MET  66 -15.630  10.855   6.681
  520    H    GLU  67           H        GLU  67 -18.050  10.317   0.970
  521    HA   GLU  67           HA       GLU  67 -17.739  10.562  -1.835
  522   1HB   GLU  67          1HB       GLU  67 -18.701  12.480   0.284
  523   2HB   GLU  67          1HB       GLU  67 -18.702  12.872  -1.431
  524   1HG   GLU  67          1HG       GLU  67 -20.695  11.935  -1.593
  525   2HG   GLU  67          1HG       GLU  67 -19.953  10.379  -1.222
  526    H    SER  68           H        SER  68 -16.353  12.435   0.869
  527    HA   SER  68           HA       SER  68 -14.366  13.532  -1.001
  528   1HB   SER  68          1HB       SER  68 -15.126  14.492   1.767
  529   2HB   SER  68          1HB       SER  68 -13.974  15.273   0.685
  530    HG   SER  68           HG       SER  68 -16.370  14.845  -0.526
  531    H    VAL  69           H        VAL  69 -14.238  10.846   0.168
  532    HA   VAL  69           HA       VAL  69 -12.119  10.950   2.137
  533    HB   VAL  69           HB       VAL  69 -13.973   9.146   1.921
  534   1HG1  VAL  69          1HG1      VAL  69 -13.114   7.124   0.655
  535   2HG1  VAL  69          2HG1      VAL  69 -12.046   8.243  -0.184
  536   3HG1  VAL  69          3HG1      VAL  69 -13.794   8.439  -0.300
  537   1HG2  VAL  69          1HG2      VAL  69 -12.814   7.971   3.423
  538   2HG2  VAL  69          2HG2      VAL  69 -11.556   9.184   3.190
  539   3HG2  VAL  69          3HG2      VAL  69 -11.495   7.667   2.293
  540    H    CYS  70           H        CYS  70 -10.346   9.231   1.641
  541    HA   CYS  70           HA       CYS  70  -9.028  10.072  -0.819
  542   1HB   CYS  70          1HB       CYS  70  -7.751   8.424   1.351
  543   2HB   CYS  70          1HB       CYS  70  -6.997   9.525   0.210
  544    H    GLY  71           H        GLY  71  -9.399   7.099   1.107
  545   1HA   GLY  71          2HA       GLY  71  -9.743   4.942   0.396
  546   2HA   GLY  71          1HA       GLY  71 -10.381   5.621  -1.094
  547    H    TYR  72           H        TYR  72  -9.250   5.332  -2.873
  548    HA   TYR  72           HA       TYR  72  -6.409   5.408  -2.923
  549   1HB   TYR  72          1HB       TYR  72  -6.933   3.120  -1.958
  550   2HB   TYR  72          1HB       TYR  72  -7.569   2.708  -3.547
  551    HD1  TYR  72          1HD       TYR  72  -6.008   2.707  -5.525
  552    HD2  TYR  72          2HD       TYR  72  -4.616   3.139  -1.528
  553    HE1  TYR  72          1HE       TYR  72  -3.734   2.115  -6.259
  554    HE2  TYR  72          2HE       TYR  72  -2.347   2.548  -2.248
  555    HH   TYR  72           HH       TYR  72  -1.389   1.106  -4.348
  556    H    PHE  73           H        PHE  73  -7.089   6.999  -4.443
  557    HA   PHE  73           HA       PHE  73  -8.473   6.279  -6.773
  558   1HB   PHE  73          1HB       PHE  73  -6.993   8.647  -5.844
  559   2HB   PHE  73          1HB       PHE  73  -7.041   8.437  -7.589
  560    HD1  PHE  73          1HD       PHE  73  -8.801   9.355  -8.749
  561    HD2  PHE  73          2HD       PHE  73  -9.349   8.351  -4.647
  562    HE1  PHE  73          1HE       PHE  73 -11.061  10.321  -8.819
  563    HE2  PHE  73          2HE       PHE  73 -11.614   9.316  -4.713
  564    HZ   PHE  73           HZ       PHE  73 -12.474  10.302  -6.799
  565    H    HIS  74           H        HIS  74  -7.720   4.549  -7.708
  566    HA   HIS  74           HA       HIS  74  -4.920   4.501  -8.542
  567   1HB   HIS  74          1HB       HIS  74  -5.437   2.468  -7.578
  568   2HB   HIS  74          1HB       HIS  74  -7.060   2.434  -8.251
  569    HD1  HIS  74          1HD       HIS  74  -3.567   1.419  -8.902
  570    HD2  HIS  74          2HD       HIS  74  -7.149   1.564 -11.004
  571    HE1  HIS  74          1HE       HIS  74  -3.197   0.031 -10.960
  572    HE2  HIS  74          2HE       HIS  74  -5.350   0.186 -12.253
  573    H    ARG  75           H        ARG  75  -4.694   5.779 -10.241
  574    HA   ARG  75           HA       ARG  75  -6.406   5.307 -12.587
  575   1HB   ARG  75          1HB       ARG  75  -5.589   7.585 -13.328
  576   2HB   ARG  75          1HB       ARG  75  -6.663   7.570 -11.938
  577   1HG   ARG  75          1HG       ARG  75  -3.997   7.397 -10.979
  578   2HG   ARG  75          1HG       ARG  75  -4.069   8.694 -12.171
  579   1HD   ARG  75          1HD       ARG  75  -6.182   8.493 -10.066
  580   2HD   ARG  75          1HD       ARG  75  -4.610   9.180  -9.663
  581    HE   ARG  75           HE       ARG  75  -6.341  10.241 -11.806
  582   1HH1  ARG  75          1HH1      ARG  75  -4.151  10.760  -9.120
  583   2HH1  ARG  75          2HH1      ARG  75  -4.211  12.484  -9.258
  584   1HH2  ARG  75          1HH2      ARG  75  -6.408  12.501 -11.970
  585   2HH2  ARG  75          2HH2      ARG  75  -5.486  13.471 -10.868
  586    H    SER  76           H        SER  76  -3.954   3.854 -11.676
  587    HA   SER  76           HA       SER  76  -2.063   4.515 -13.802
  588   1HB   SER  76          1HB       SER  76  -1.887   3.109 -11.202
  589   2HB   SER  76          1HB       SER  76  -0.921   2.390 -12.491
  590    HG   SER  76           HG       SER  76  -0.716   5.111 -12.421
  591    H    HIS  77           H        HIS  77  -3.467   3.822 -15.505
  592    HA   HIS  77           HA       HIS  77  -4.763   1.459 -15.873
  593   1HB   HIS  77          1HB       HIS  77  -3.082   2.750 -18.022
  594   2HB   HIS  77          1HB       HIS  77  -4.550   1.803 -18.238
  595    HD1  HIS  77          1HD       HIS  77  -3.337   5.223 -17.458
  596    HD2  HIS  77          2HD       HIS  77  -6.951   3.176 -17.596
  597    HE1  HIS  77          1HE       HIS  77  -5.118   6.999 -17.410
  598    HE2  HIS  77          2HE       HIS  77  -7.297   5.734 -17.436
  599    H    ASN  78           H        ASN  78  -1.349   2.003 -15.988
  600    HA   ASN  78           HA       ASN  78  -0.543  -0.364 -17.264
  601   1HB   ASN  78          1HB       ASN  78   0.804   1.777 -16.623
  602   2HB   ASN  78          1HB       ASN  78   1.132   0.906 -15.132
  603   1HD2  ASN  78          1HD2      ASN  78   2.132   1.460 -18.250
  604   2HD2  ASN  78          2HD2      ASN  78   3.228   0.135 -18.425
  605    H    ARG  79           H        ARG  79  -1.298  -2.332 -16.550
  606    HA   ARG  79           HA       ARG  79  -1.486  -2.914 -13.748
  607   1HB   ARG  79          1HB       ARG  79  -2.202  -5.189 -14.583
  608   2HB   ARG  79          1HB       ARG  79  -3.191  -3.834 -15.103
  609   1HG   ARG  79          1HG       ARG  79  -2.896  -4.387 -17.217
  610   2HG   ARG  79          1HG       ARG  79  -1.144  -4.264 -17.038
  611   1HD   ARG  79          1HD       ARG  79  -1.676  -6.471 -17.800
  612   2HD   ARG  79          1HD       ARG  79  -1.138  -6.574 -16.124
  613    HE   ARG  79           HE       ARG  79  -3.809  -6.421 -15.861
  614   1HH1  ARG  79          1HH1      ARG  79  -1.760  -8.429 -17.847
  615   2HH1  ARG  79          2HH1      ARG  79  -2.865  -9.762 -17.861
  616   1HH2  ARG  79          1HH2      ARG  79  -5.266  -8.174 -15.875
  617   2HH2  ARG  79          2HH2      ARG  79  -4.856  -9.618 -16.741
  618    H    SER  80           H        SER  80   0.936  -3.101 -16.074
  619    HA   SER  80           HA       SER  80   2.481  -5.200 -14.718
  620   1HB   SER  80          1HB       SER  80   4.136  -4.679 -16.597
  621   2HB   SER  80          1HB       SER  80   2.590  -5.361 -17.102
  622    HG   SER  80           HG       SER  80   3.689  -3.061 -17.839
  623    H    GLU  81           H        GLU  81   1.831  -2.067 -14.083
  624    HA   GLU  81           HA       GLU  81   4.622  -1.324 -13.620
  625   1HB   GLU  81          1HB       GLU  81   2.643   0.296 -14.335
  626   2HB   GLU  81          1HB       GLU  81   2.457   0.439 -12.589
  627   1HG   GLU  81          1HG       GLU  81   5.166   0.731 -13.790
  628   2HG   GLU  81          1HG       GLU  81   4.026   2.070 -13.908
  629    H    GLU  82           H        GLU  82   5.672  -1.876 -11.795
  630    HA   GLU  82           HA       GLU  82   4.390  -3.072  -9.570
  631   1HB   GLU  82          1HB       GLU  82   7.151  -2.474 -10.401
  632   2HB   GLU  82          1HB       GLU  82   6.896  -2.347  -8.667
  633   1HG   GLU  82          1HG       GLU  82   6.575  -4.562  -8.402
  634   2HG   GLU  82          1HG       GLU  82   5.849  -4.758  -9.985
  635    H    PHE  83           H        PHE  83   3.756  -2.201  -7.683
  636    HA   PHE  83           HA       PHE  83   4.149   0.690  -7.350
  637   1HB   PHE  83          1HB       PHE  83   1.857  -1.103  -6.727
  638   2HB   PHE  83          1HB       PHE  83   2.125   0.284  -5.688
  639    HD1  PHE  83          1HD       PHE  83   0.029   1.294  -6.306
  640    HD2  PHE  83          2HD       PHE  83   2.956   0.428  -9.267
  641    HE1  PHE  83          1HE       PHE  83  -1.147   2.747  -7.894
  642    HE2  PHE  83          2HE       PHE  83   1.786   1.879 -10.854
  643    HZ   PHE  83           HZ       PHE  83  -0.262   3.045 -10.165
  644    H    LEU  84           H        LEU  84   3.768   1.348  -5.080
  645    HA   LEU  84           HA       LEU  84   5.270  -0.309  -3.145
  646   1HB   LEU  84          1HB       LEU  84   6.739   1.523  -3.954
  647   2HB   LEU  84          1HB       LEU  84   5.552   2.698  -3.442
  648    HG   LEU  84           HG       LEU  84   7.632   2.294  -1.973
  649   1HD1  LEU  84          1HD1      LEU  84   6.495   3.078  -0.117
  650   2HD1  LEU  84          2HD1      LEU  84   5.046   2.142  -0.483
  651   3HD1  LEU  84          3HD1      LEU  84   5.456   3.550  -1.461
  652   1HD2  LEU  84          1HD2      LEU  84   5.935  -0.030  -1.073
  653   2HD2  LEU  84          2HD2      LEU  84   7.384   0.574  -0.268
  654   3HD2  LEU  84          3HD2      LEU  84   7.499  -0.143  -1.875
  655    H    ILE  85           H        ILE  85   4.112  -0.679  -1.344
  656    HA   ILE  85           HA       ILE  85   1.859   1.169  -0.847
  657    HB   ILE  85           HB       ILE  85   1.834  -1.853  -0.803
  658   1HG1  ILE  85          1HG1      ILE  85   0.073   0.031  -2.388
  659   2HG1  ILE  85          1HG1      ILE  85   1.630  -0.516  -2.998
  660   1HG2  ILE  85          1HG2      ILE  85  -0.655  -1.484  -0.294
  661   2HG2  ILE  85          2HG2      ILE  85  -0.208   0.155   0.180
  662   3HG2  ILE  85          3HG2      ILE  85   0.471  -1.228   1.039
  663   1HD1  ILE  85          1HD1      ILE  85   0.858  -2.573  -3.480
  664   2HD1  ILE  85          2HD1      ILE  85  -0.702  -1.750  -3.495
  665   3HD1  ILE  85          3HD1      ILE  85  -0.184  -2.632  -2.058
  666    H    ALA  86           H        ALA  86   2.162   2.123   0.917
  667    HA   ALA  86           HA       ALA  86   3.131   0.735   3.364
  668   1HB   ALA  86          1HB       ALA  86   3.622   2.805   4.365
  669   2HB   ALA  86          2HB       ALA  86   2.606   3.700   3.235
  670   3HB   ALA  86          3HB       ALA  86   4.147   3.030   2.697
  671    H    GLY  87           H        GLY  87   1.461  -0.133   4.447
  672   1HA   GLY  87          2HA       GLY  87  -0.881   1.420   5.102
  673   2HA   GLY  87          1HA       GLY  87  -1.213   0.097   4.000
  674    H    LYS  88           H        LYS  88  -1.790   0.765   6.975
  675    HA   LYS  88           HA       LYS  88  -0.697  -1.361   8.520
  676   1HB   LYS  88          1HB       LYS  88  -1.758   1.040   9.131
  677   2HB   LYS  88          1HB       LYS  88  -3.157   0.031   9.385
  678   1HG   LYS  88          1HG       LYS  88  -0.694  -0.875  10.695
  679   2HG   LYS  88          1HG       LYS  88  -1.385   0.627  11.290
  680   1HD   LYS  88          1HD       LYS  88  -3.233  -1.654  10.870
  681   2HD   LYS  88          1HD       LYS  88  -2.129  -1.749  12.235
  682   1HE   LYS  88          1HE       LYS  88  -3.343  -0.294  13.404
  683   2HE   LYS  88          1HE       LYS  88  -3.364   0.855  12.066
  684   1HZ   LYS  88          1HZ       LYS  88  -5.476   0.350  11.724
  685   2HZ   LYS  88          2HZ       LYS  88  -5.449  -0.768  12.993
  686   3HZ   LYS  88          3HZ       LYS  88  -5.071  -1.264  11.422
  687    H    LEU  89           H        LEU  89  -2.423  -2.729   9.851
  688    HA   LEU  89           HA       LEU  89  -4.164  -4.085   7.905
  689   1HB   LEU  89          1HB       LEU  89  -2.376  -4.962  10.087
  690   2HB   LEU  89          1HB       LEU  89  -3.883  -5.840   9.936
  691    HG   LEU  89           HG       LEU  89  -1.756  -5.557   7.818
  692   1HD1  LEU  89          1HD1      LEU  89  -1.315  -7.857   8.207
  693   2HD1  LEU  89          2HD1      LEU  89  -2.744  -8.032   9.228
  694   3HD1  LEU  89          3HD1      LEU  89  -1.361  -7.096   9.798
  695   1HD2  LEU  89          1HD2      LEU  89  -4.562  -6.081   7.628
  696   2HD2  LEU  89          2HD2      LEU  89  -3.663  -7.526   7.174
  697   3HD2  LEU  89          3HD2      LEU  89  -3.360  -5.998   6.344
  698    H    GLN  90           H        GLN  90  -6.277  -4.624   8.490
  699    HA   GLN  90           HA       GLN  90  -7.221  -3.719  11.117
  700   1HB   GLN  90          1HB       GLN  90  -7.863  -2.336   8.972
  701   2HB   GLN  90          1HB       GLN  90  -8.982  -3.663   8.695
  702   1HG   GLN  90          1HG       GLN  90 -10.345  -2.305   9.872
  703   2HG   GLN  90          1HG       GLN  90  -9.601  -3.162  11.223
  704   1HE2  GLN  90          1HE2      GLN  90  -8.991  -1.894  12.805
  705   2HE2  GLN  90          2HE2      GLN  90  -8.446  -0.261  12.661
  706    H    ASP  91           H        ASP  91  -7.724  -5.495  12.202
  707    HA   ASP  91           HA       ASP  91  -8.197  -7.716  12.607
  708   1HB   ASP  91          1HB       ASP  91 -10.535  -6.349  11.415
  709   2HB   ASP  91          1HB       ASP  91 -10.653  -8.099  11.576
  710    H    GLY  92           H        GLY  92  -6.632  -7.495  10.138
  711   1HA   GLY  92          2HA       GLY  92  -6.003  -9.647   9.110
  712   2HA   GLY  92          1HA       GLY  92  -7.708  -9.933   8.849
  713    H    LEU  93           H        LEU  93  -7.459  -6.797   8.023
  714    HA   LEU  93           HA       LEU  93  -6.752  -7.478   5.239
  715   1HB   LEU  93          1HB       LEU  93  -8.879  -5.556   6.181
  716   2HB   LEU  93          1HB       LEU  93  -8.469  -5.884   4.513
  717    HG   LEU  93           HG       LEU  93 -10.455  -7.080   4.937
  718   1HD1  LEU  93          1HD1      LEU  93  -9.871  -9.245   4.363
  719   2HD1  LEU  93          2HD1      LEU  93  -8.423  -9.230   5.369
  720   3HD1  LEU  93          3HD1      LEU  93  -8.461  -8.311   3.865
  721   1HD2  LEU  93          1HD2      LEU  93  -9.786  -6.999   7.545
  722   2HD2  LEU  93          2HD2      LEU  93  -9.451  -8.693   7.187
  723   3HD2  LEU  93          3HD2      LEU  93 -11.058  -8.029   6.888
  724    H    LEU  94           H        LEU  94  -5.734  -5.939   3.988
  725    HA   LEU  94           HA       LEU  94  -4.017  -4.148   5.351
  726   1HB   LEU  94          1HB       LEU  94  -3.346  -5.248   3.283
  727   2HB   LEU  94          1HB       LEU  94  -4.642  -4.451   2.413
  728    HG   LEU  94           HG       LEU  94  -3.564  -2.277   2.764
  729   1HD1  LEU  94          1HD1      LEU  94  -1.404  -2.088   3.792
  730   2HD1  LEU  94          2HD1      LEU  94  -1.329  -3.831   4.025
  731   3HD1  LEU  94          3HD1      LEU  94  -2.492  -2.878   4.932
  732   1HD2  LEU  94          1HD2      LEU  94  -2.082  -2.529   1.056
  733   2HD2  LEU  94          2HD2      LEU  94  -2.882  -4.097   0.946
  734   3HD2  LEU  94          3HD2      LEU  94  -1.330  -3.955   1.774
  735    H    HIS  95           H        HIS  95  -3.940  -1.820   5.020
  736    HA   HIS  95           HA       HIS  95  -6.397  -0.614   4.078
  737   1HB   HIS  95          1HB       HIS  95  -5.432  -0.413   6.909
  738   2HB   HIS  95          1HB       HIS  95  -6.305   0.929   6.175
  739    HD1  HIS  95          1HD       HIS  95  -8.707   0.853   6.769
  740    HD2  HIS  95          2HD       HIS  95  -7.095  -2.953   6.374
  741    HE1  HIS  95          1HE       HIS  95 -10.614  -0.735   7.191
  742    HE2  HIS  95          2HE       HIS  95  -9.613  -3.032   6.939
  743    H    ILE  96           H        ILE  96  -6.162   1.388   3.253
  744    HA   ILE  96           HA       ILE  96  -3.706   2.873   3.664
  745    HB   ILE  96           HB       ILE  96  -3.334   3.028   1.108
  746   1HG1  ILE  96          1HG1      ILE  96  -5.413   1.663   0.655
  747   2HG1  ILE  96          1HG1      ILE  96  -3.961   1.138  -0.196
  748   1HG2  ILE  96          1HG2      ILE  96  -1.979   1.788   3.039
  749   2HG2  ILE  96          2HG2      ILE  96  -1.516   1.675   1.340
  750   3HG2  ILE  96          3HG2      ILE  96  -2.436   0.374   2.091
  751   1HD1  ILE  96          1HD1      ILE  96  -3.795  -0.362   2.038
  752   2HD1  ILE  96          2HD1      ILE  96  -4.573  -0.877   0.555
  753   3HD1  ILE  96          3HD1      ILE  96  -5.542  -0.222   1.867
  754    H    THR  97           H        THR  97  -3.698   4.842   2.102
  755    HA   THR  97           HA       THR  97  -6.257   5.695   1.146
  756    HB   THR  97           HB       THR  97  -6.217   7.775   2.619
  757    HG1  THR  97          1HG       THR  97  -4.791   6.240   4.477
  758   1HG2  THR  97          1HG2      THR  97  -7.916   6.156   3.070
  759   2HG2  THR  97          2HG2      THR  97  -7.217   6.673   4.604
  760   3HG2  THR  97          3HG2      THR  97  -6.770   5.117   3.916
  761    H    THR  98           H        THR  98  -6.090   7.891   0.181
  762    HA   THR  98           HA       THR  98  -3.714   8.123  -1.356
  763    HB   THR  98           HB       THR  98  -4.730   9.944  -2.473
  764    HG1  THR  98          1HG       THR  98  -6.148  11.258  -1.595
  765   1HG2  THR  98          1HG2      THR  98  -6.184   7.571  -1.952
  766   2HG2  THR  98          2HG2      THR  98  -6.177   8.576  -3.401
  767   3HG2  THR  98          3HG2      THR  98  -7.319   8.912  -2.099
  768    H    CYS  99           H        CYS  99  -4.060   8.824   1.746
  769    HA   CYS  99           HA       CYS  99  -2.022  10.937   1.628
  770   1HB   CYS  99          1HB       CYS  99  -4.018  12.014   2.504
  771   2HB   CYS  99          1HB       CYS  99  -4.182  10.798   3.747
  772    H    SER 100           H        SER 100  -2.054   7.997   1.748
  773    HA   SER 100           HA       SER 100  -0.344   7.639   4.131
  774   1HB   SER 100          1HB       SER 100  -2.509   6.030   3.153
  775   2HB   SER 100          1HB       SER 100  -1.012   5.123   2.938
  776    HG   SER 100           HG       SER 100  -1.698   6.396   5.376
  777    H    PHE 101           H        PHE 101   1.749   6.555   3.673
  778    HA   PHE 101           HA       PHE 101   2.822   7.392   1.247
  779   1HB   PHE 101          1HB       PHE 101   4.078   6.797   3.354
  780   2HB   PHE 101          1HB       PHE 101   3.976   5.121   2.831
  781    HD1  PHE 101          1HD       PHE 101   6.009   7.877   2.905
  782    HD2  PHE 101          2HD       PHE 101   4.688   4.862   0.207
  783    HE1  PHE 101          1HE       PHE 101   8.020   8.227   1.536
  784    HE2  PHE 101          2HE       PHE 101   6.701   5.205  -1.167
  785    HZ   PHE 101           HZ       PHE 101   8.372   6.889  -0.500
  786    H    VAL 102           H        VAL 102   1.925   6.704  -0.658
  787    HA   VAL 102           HA       VAL 102   2.260   3.899  -1.347
  788    HB   VAL 102           HB       VAL 102  -0.433   5.152  -1.854
  789   1HG1  VAL 102          1HG1      VAL 102   0.907   2.864  -2.832
  790   2HG1  VAL 102          2HG1      VAL 102  -0.747   3.384  -3.148
  791   3HG1  VAL 102          3HG1      VAL 102  -0.405   2.305  -1.796
  792   1HG2  VAL 102          1HG2      VAL 102  -0.220   2.964   0.123
  793   2HG2  VAL 102          2HG2      VAL 102  -1.327   4.334   0.060
  794   3HG2  VAL 102          3HG2      VAL 102   0.310   4.555   0.658
  795    H    ALA 103           H        ALA 103   3.575   4.179  -3.067
  796    HA   ALA 103           HA       ALA 103   2.494   5.374  -5.467
  797   1HB   ALA 103          1HB       ALA 103   4.755   6.803  -5.588
  798   2HB   ALA 103          2HB       ALA 103   4.490   6.834  -3.847
  799   3HB   ALA 103          3HB       ALA 103   3.245   7.442  -4.940
  800    HA   PRO 104           HA       PRO 104   5.072   2.702  -7.868
  801   1HB   PRO 104          1HB       PRO 104   6.695   5.008  -8.813
  802   2HB   PRO 104          1HB       PRO 104   5.948   3.703  -9.740
  803   1HG   PRO 104          1HG       PRO 104   4.841   6.127  -9.679
  804   2HG   PRO 104          1HG       PRO 104   3.820   4.679  -9.609
  805   1HD   PRO 104          1HD       PRO 104   4.573   6.575  -7.428
  806   2HD   PRO 104          1HD       PRO 104   3.064   5.675  -7.666
  807    H    TRP 105           H        TRP 105   6.456   1.453  -6.798
  808    HA   TRP 105           HA       TRP 105   8.595   2.067  -5.165
  809   1HB   TRP 105          1HB       TRP 105   7.758  -0.218  -5.819
  810   2HB   TRP 105          1HB       TRP 105   8.542  -0.034  -7.360
  811    HD1  TRP 105           HD       TRP 105  10.826  -1.102  -7.508
  812    HE1  TRP 105          1HE       TRP 105  12.612  -1.845  -5.831
  813    HE3  TRP 105          3HE       TRP 105   8.643   0.560  -3.198
  814    HZ2  TRP 105          2HZ       TRP 105  13.041  -1.710  -3.036
  815    HZ3  TRP 105          3HZ       TRP 105   9.809   0.201  -1.068
  816    HH2  TRP 105           HH       TRP 105  11.967  -0.904  -1.014
  817    H    ASN 106           H        ASN 106   8.397   1.598  -8.551
  818    HA   ASN 106           HA       ASN 106  10.964   2.311  -9.165
  819   1HB   ASN 106          1HB       ASN 106   8.585   2.173 -10.974
  820   2HB   ASN 106          1HB       ASN 106  10.209   2.496 -11.572
  821   1HD2  ASN 106          1HD2      ASN 106   8.036   0.190 -11.368
  822   2HD2  ASN 106          2HD2      ASN 106   9.036  -1.209 -11.211
  823    H    SER 107           H        SER 107   9.574   4.366  -7.681
  824    HA   SER 107           HA       SER 107  10.414   6.637  -9.309
  825   1HB   SER 107          1HB       SER 107   7.894   6.608  -9.085
  826   2HB   SER 107          1HB       SER 107   8.121   6.806  -7.347
  827    HG   SER 107           HG       SER 107   8.133   8.855  -7.825
  828    H    LEU 108           H        LEU 108  10.684   4.858  -6.671
  829    HA   LEU 108           HA       LEU 108  11.565   6.756  -4.753
  830   1HB   LEU 108          1HB       LEU 108  11.290   3.818  -4.925
  831   2HB   LEU 108          1HB       LEU 108  12.210   4.521  -3.620
  832    HG   LEU 108           HG       LEU 108   9.985   5.991  -3.373
  833   1HD1  LEU 108          1HD1      LEU 108   8.192   5.134  -4.355
  834   2HD1  LEU 108          2HD1      LEU 108   8.598   3.507  -3.804
  835   3HD1  LEU 108          3HD1      LEU 108   9.291   4.130  -5.298
  836   1HD2  LEU 108          1HD2      LEU 108  10.440   3.198  -2.365
  837   2HD2  LEU 108          2HD2      LEU 108   9.253   4.323  -1.703
  838   3HD2  LEU 108          3HD2      LEU 108  10.976   4.698  -1.597
  839    H    SER 109           H        SER 109  13.536   5.874  -3.442
  840    HA   SER 109           HA       SER 109  15.882   6.432  -5.073
  841   1HB   SER 109          1HB       SER 109  16.077   5.933  -2.149
  842   2HB   SER 109          1HB       SER 109  16.875   7.142  -3.145
  843    HG   SER 109           HG       SER 109  14.305   7.172  -2.018
  844    H    LEU 110           H        LEU 110  16.931   4.999  -5.951
  845    HA   LEU 110           HA       LEU 110  17.003   2.344  -5.841
  846   1HB   LEU 110          1HB       LEU 110  19.544   2.554  -6.240
  847   2HB   LEU 110          1HB       LEU 110  18.433   3.274  -7.352
  848    HG   LEU 110           HG       LEU 110  20.559   4.526  -6.606
  849   1HD1  LEU 110          1HD1      LEU 110  17.895   5.591  -7.248
  850   2HD1  LEU 110          2HD1      LEU 110  19.401   5.688  -8.153
  851   3HD1  LEU 110          3HD1      LEU 110  19.147   6.728  -6.752
  852   1HD2  LEU 110          1HD2      LEU 110  18.736   5.607  -4.553
  853   2HD2  LEU 110          2HD2      LEU 110  20.438   5.970  -4.821
  854   3HD2  LEU 110          3HD2      LEU 110  19.970   4.384  -4.210
  855    H    ALA 111           H        ALA 111  18.320   4.435  -3.399
  856    HA   ALA 111           HA       ALA 111  19.623   2.354  -1.955
  857   1HB   ALA 111          1HB       ALA 111  19.215   4.978  -0.682
  858   2HB   ALA 111          2HB       ALA 111  20.136   4.968  -2.194
  859   3HB   ALA 111          3HB       ALA 111  20.680   4.001  -0.817
  860    H    GLN 112           H        GLN 112  16.733   4.225  -1.881
  861    HA   GLN 112           HA       GLN 112  15.842   3.160   0.640
  862   1HB   GLN 112          1HB       GLN 112  15.439   5.508  -0.074
  863   2HB   GLN 112          1HB       GLN 112  14.474   4.928  -1.425
  864   1HG   GLN 112          1HG       GLN 112  12.786   4.161   0.005
  865   2HG   GLN 112          1HG       GLN 112  13.807   4.338   1.432
  866   1HE2  GLN 112          1HE2      GLN 112  12.293   5.692   2.420
  867   2HE2  GLN 112          2HE2      GLN 112  12.069   7.329   1.928
  868    H    ARG 113           H        ARG 113  16.101   2.161  -2.450
  869    HA   ARG 113           HA       ARG 113  13.695   0.589  -2.653
  870   1HB   ARG 113          1HB       ARG 113  15.937   1.273  -4.311
  871   2HB   ARG 113          1HB       ARG 113  15.818  -0.482  -4.209
  872   1HG   ARG 113          1HG       ARG 113  14.619   0.456  -6.143
  873   2HG   ARG 113          1HG       ARG 113  13.568  -0.416  -5.042
  874   1HD   ARG 113          1HD       ARG 113  13.901   2.576  -5.048
  875   2HD   ARG 113          1HD       ARG 113  12.611   1.729  -5.898
  876    HE   ARG 113           HE       ARG 113  11.804   0.995  -3.731
  877   1HH1  ARG 113          1HH1      ARG 113  14.013   3.670  -3.765
  878   2HH1  ARG 113          2HH1      ARG 113  13.588   4.189  -2.180
  879   1HH2  ARG 113          1HH2      ARG 113  11.300   1.641  -1.597
  880   2HH2  ARG 113          2HH2      ARG 113  12.068   3.035  -0.952
  881    H    ARG 114           H        ARG 114  17.048   0.413  -1.522
  882    HA   ARG 114           HA       ARG 114  16.616  -2.314  -0.636
  883   1HB   ARG 114          1HB       ARG 114  18.780  -2.327   0.259
  884   2HB   ARG 114          1HB       ARG 114  18.933  -1.406  -1.225
  885   1HG   ARG 114          1HG       ARG 114  20.218  -0.230   0.274
  886   2HG   ARG 114          1HG       ARG 114  18.691   0.635   0.347
  887   1HD   ARG 114          1HD       ARG 114  18.092  -0.423   2.381
  888   2HD   ARG 114          1HD       ARG 114  19.363  -1.605   2.209
  889    HE   ARG 114           HE       ARG 114  20.730  -0.159   3.309
  890   1HH1  ARG 114          1HH1      ARG 114  18.216   1.733   1.795
  891   2HH1  ARG 114          2HH1      ARG 114  18.805   3.237   2.410
  892   1HH2  ARG 114          1HH2      ARG 114  21.483   1.820   4.148
  893   2HH2  ARG 114          2HH2      ARG 114  20.655   3.288   3.745
  894    H    GLY 115           H        GLY 115  16.919   0.916   0.753
  895   1HA   GLY 115          2HA       GLY 115  16.674   0.422   3.404
  896   2HA   GLY 115          1HA       GLY 115  15.935   1.813   2.643
  897    H    PHE 116           H        PHE 116  13.948   0.513   1.125
  898    HA   PHE 116           HA       PHE 116  12.227  -0.028   3.334
  899   1HB   PHE 116          1HB       PHE 116  11.787   0.222   0.385
  900   2HB   PHE 116          1HB       PHE 116  10.560  -0.608   1.326
  901    HD1  PHE 116          1HD       PHE 116   9.179   0.611   2.891
  902    HD2  PHE 116          2HD       PHE 116  12.169   2.565   0.621
  903    HE1  PHE 116          1HE       PHE 116   8.147   2.781   3.421
  904    HE2  PHE 116          2HE       PHE 116  11.154   4.737   1.136
  905    HZ   PHE 116           HZ       PHE 116   9.138   4.849   2.536
  906    H    THR 117           H        THR 117  14.234  -1.936   1.503
  907    HA   THR 117           HA       THR 117  12.647  -4.322   1.941
  908    HB   THR 117           HB       THR 117  13.945  -3.805  -0.240
  909    HG1  THR 117          1HG       THR 117  13.521  -6.149   1.087
  910   1HG2  THR 117          1HG2      THR 117  16.140  -3.685  -0.191
  911   2HG2  THR 117          2HG2      THR 117  16.213  -5.338   0.407
  912   3HG2  THR 117          3HG2      THR 117  16.156  -3.991   1.542
  913    H    LYS 118           H        LYS 118  15.252  -2.554   3.285
  914    HA   LYS 118           HA       LYS 118  15.653  -4.710   5.232
  915   1HB   LYS 118          1HB       LYS 118  17.746  -5.031   4.510
  916   2HB   LYS 118          1HB       LYS 118  17.477  -3.860   3.237
  917   1HG   LYS 118          1HG       LYS 118  18.514  -2.161   4.422
  918   2HG   LYS 118          1HG       LYS 118  18.305  -2.972   5.973
  919   1HD   LYS 118          1HD       LYS 118  20.464  -3.519   5.722
  920   2HD   LYS 118          1HD       LYS 118  19.838  -4.777   4.654
  921   1HE   LYS 118          1HE       LYS 118  21.086  -3.905   3.033
  922   2HE   LYS 118          1HE       LYS 118  20.027  -2.505   3.064
  923   1HZ   LYS 118          1HZ       LYS 118  21.960  -2.358   5.137
  924   2HZ   LYS 118          2HZ       LYS 118  21.649  -1.263   3.891
  925   3HZ   LYS 118          3HZ       LYS 118  22.712  -2.549   3.634
  926    H    THR 119           H        THR 119  16.091  -1.311   4.518
  927    HA   THR 119           HA       THR 119  17.061  -0.781   7.186
  928    HB   THR 119           HB       THR 119  16.728   1.498   5.473
  929    HG1  THR 119          1HG       THR 119  18.182   0.648   3.887
  930   1HG2  THR 119          1HG2      THR 119  18.854   1.922   6.119
  931   2HG2  THR 119          2HG2      THR 119  19.393   0.289   5.691
  932   3HG2  THR 119          3HG2      THR 119  18.629   0.592   7.259
  933    H    TYR 120           H        TYR 120  13.886  -0.141   5.798
  934    HA   TYR 120           HA       TYR 120  13.828   2.249   7.389
  935   1HB   TYR 120          1HB       TYR 120  12.069   1.135   5.283
  936   2HB   TYR 120          1HB       TYR 120  11.467   2.341   6.393
  937    HD1  TYR 120          1HD       TYR 120  14.692   1.830   4.660
  938    HD2  TYR 120          2HD       TYR 120  11.499   4.480   5.563
  939    HE1  TYR 120          1HE       TYR 120  15.861   3.620   3.459
  940    HE2  TYR 120          2HE       TYR 120  12.651   6.287   4.358
  941    HH   TYR 120           HH       TYR 120  14.418   6.847   3.114
  942    H    THR 121           H        THR 121  12.527  -0.983   7.891
  943    HA   THR 121           HA       THR 121  10.422  -0.420   9.527
  944    HB   THR 121           HB       THR 121  10.518  -2.531  10.292
  945    HG1  THR 121          1HG       THR 121  12.658  -3.437  10.991
  946   1HG2  THR 121          1HG2      THR 121  11.217  -3.839   8.680
  947   2HG2  THR 121          2HG2      THR 121  12.904  -3.398   8.952
  948   3HG2  THR 121          3HG2      THR 121  11.883  -2.397   7.922
  949    H    VAL 122           H        VAL 122  13.601  -0.977  10.737
  950    HA   VAL 122           HA       VAL 122  13.167   0.471  13.200
  951    HB   VAL 122           HB       VAL 122  15.911  -0.387  12.349
  952   1HG1  VAL 122          1HG1      VAL 122  15.113   0.807  14.580
  953   2HG1  VAL 122          2HG1      VAL 122  16.414  -0.384  14.566
  954   3HG1  VAL 122          3HG1      VAL 122  14.788  -0.861  15.053
  955   1HG2  VAL 122          1HG2      VAL 122  14.293  -2.407  13.777
  956   2HG2  VAL 122          2HG2      VAL 122  15.580  -2.612  12.589
  957   3HG2  VAL 122          3HG2      VAL 122  13.957  -2.204  12.063
  958    H    GLY 123           H        GLY 123  14.536   1.212  10.098
  959   1HA   GLY 123          2HA       GLY 123  15.658   3.718  11.186
  960   2HA   GLY 123          1HA       GLY 123  16.209   2.937   9.713
  961    H    CYS 124           H        CYS 124  12.864   2.933  10.132
  962    HA   CYS 124           HA       CYS 124  12.114   4.082   7.829
  963   1HB   CYS 124          1HB       CYS 124   9.947   4.496   8.838
  964   2HB   CYS 124          1HB       CYS 124  10.633   2.987   9.432
  965    H    GLU 125           H        GLU 125  12.983   5.863  10.741
  966    HA   GLU 125           HA       GLU 125  12.184   8.401  10.362
  967   1HB   GLU 125          1HB       GLU 125  14.648   9.019  11.113
  968   2HB   GLU 125          1HB       GLU 125  13.486   8.290  12.209
  969   1HG   GLU 125          1HG       GLU 125  14.516   6.047  11.422
  970   2HG   GLU 125          1HG       GLU 125  15.852   7.063  10.871
  971    H    GLU 126           H        GLU 126  11.845   8.770   8.165
  972    HA   GLU 126           HA       GLU 126  13.722   8.799   6.145
  973   1HB   GLU 126          1HB       GLU 126  12.271  10.476   5.022
  974   2HB   GLU 126          1HB       GLU 126  11.398   9.092   5.642
  975   1HG   GLU 126          1HG       GLU 126  10.074  10.385   6.840
  976   2HG   GLU 126          1HG       GLU 126  11.455  11.146   7.625
  Start of MODEL    9
    1   1H    CYS   1          1HT       CYS   1  -9.522  15.568   3.317
    2   2H    CYS   1          2HT       CYS   1  -8.134  16.557   3.523
    3   3H    CYS   1          3HT       CYS   1  -9.276  16.404   4.794
    4    HA   CYS   1           HA       CYS   1  -7.598  15.049   5.459
    5   1HB   CYS   1          1HB       CYS   1  -8.936  13.298   5.788
    6   2HB   CYS   1          1HB       CYS   1 -10.026  13.942   4.569
    7    H    THR   2           H        THR   2  -8.219  14.606   2.009
    8    HA   THR   2           HA       THR   2  -6.119  12.894   1.476
    9    HB   THR   2           HB       THR   2  -7.840  13.256  -0.154
   10    HG1  THR   2          1HG       THR   2  -5.905  14.390  -1.698
   11   1HG2  THR   2          1HG2      THR   2  -8.663  15.221  -0.746
   12   2HG2  THR   2          2HG2      THR   2  -7.077  15.808  -1.244
   13   3HG2  THR   2          3HG2      THR   2  -7.587  15.967   0.437
   14    H    CYS   3           H        CYS   3  -4.206  13.414   2.441
   15    HA   CYS   3           HA       CYS   3  -3.041  16.043   1.948
   16   1HB   CYS   3          1HB       CYS   3  -1.896  15.756   3.863
   17   2HB   CYS   3          1HB       CYS   3  -3.079  14.521   4.180
   18    H    VAL   4           H        VAL   4  -0.390  15.682   1.862
   19    HA   VAL   4           HA       VAL   4  -0.049  14.286  -0.680
   20    HB   VAL   4           HB       VAL   4   1.756  15.748  -1.190
   21   1HG1  VAL   4          1HG1      VAL   4   0.592  18.054  -0.358
   22   2HG1  VAL   4          2HG1      VAL   4  -0.747  16.915  -0.212
   23   3HG1  VAL   4          3HG1      VAL   4   0.077  17.113  -1.758
   24   1HG2  VAL   4          1HG2      VAL   4   2.924  15.736   0.915
   25   2HG2  VAL   4          2HG2      VAL   4   1.629  16.664   1.676
   26   3HG2  VAL   4          3HG2      VAL   4   2.623  17.402   0.421
   27    HA   PRO   5           HA       PRO   5   2.729  11.041   0.342
   28   1HB   PRO   5          1HB       PRO   5   4.932  12.805  -0.677
   29   2HB   PRO   5          1HB       PRO   5   4.669  11.077  -0.950
   30   1HG   PRO   5          1HG       PRO   5   3.962  12.880  -2.790
   31   2HG   PRO   5          1HG       PRO   5   2.975  11.441  -2.489
   32   1HD   PRO   5          1HD       PRO   5   2.429  14.258  -1.842
   33   2HD   PRO   5          1HD       PRO   5   1.297  12.914  -2.026
   34    HA   PRO   6           HA       PRO   6   4.357  12.813   4.197
   35   1HB   PRO   6          1HB       PRO   6   3.412  10.974   5.857
   36   2HB   PRO   6          1HB       PRO   6   2.329  12.135   5.082
   37   1HG   PRO   6          1HG       PRO   6   2.770   9.258   4.468
   38   2HG   PRO   6          1HG       PRO   6   1.291  10.222   4.348
   39   1HD   PRO   6          1HD       PRO   6   3.066   9.558   2.243
   40   2HD   PRO   6          1HD       PRO   6   1.711  10.704   2.177
   41    H    HIS   7           H        HIS   7   6.232  12.521   5.249
   42    HA   HIS   7           HA       HIS   7   8.335  11.215   4.510
   43   1HB   HIS   7          1HB       HIS   7   7.529  11.261   7.421
   44   2HB   HIS   7          1HB       HIS   7   9.169  11.201   6.790
   45    HD1  HIS   7          1HD       HIS   7  10.258  13.423   6.181
   46    HD2  HIS   7          2HD       HIS   7   6.210  13.777   7.045
   47    HE1  HIS   7          1HE       HIS   7   9.803  15.891   6.264
   48    HE2  HIS   7          2HE       HIS   7   7.338  16.083   6.738
   49    HA   PRO   8           HA       PRO   8   7.377   6.829   4.491
   50   1HB   PRO   8          1HB       PRO   8   9.801   5.991   3.640
   51   2HB   PRO   8          1HB       PRO   8   8.647   6.765   2.545
   52   1HG   PRO   8          1HG       PRO   8  10.897   7.989   4.072
   53   2HG   PRO   8          1HG       PRO   8  10.560   8.114   2.331
   54   1HD   PRO   8          1HD       PRO   8   9.814  10.072   3.979
   55   2HD   PRO   8          1HD       PRO   8   8.712   9.529   2.691
   56    H    GLN   9           H        GLN   9   9.870   8.509   6.361
   57    HA   GLN   9           HA       GLN   9  10.811   6.291   7.800
   58   1HB   GLN   9          1HB       GLN   9  12.011   8.279   8.191
   59   2HB   GLN   9          1HB       GLN   9  10.558   9.256   8.235
   60   1HG   GLN   9          1HG       GLN   9  10.711   7.372  10.446
   61   2HG   GLN   9          1HG       GLN   9  12.074   8.490  10.384
   62   1HE2  GLN   9          1HE2      GLN   9   9.339   8.114  11.906
   63   2HE2  GLN   9          2HE2      GLN   9   8.783   9.744  12.044
   64    H    THR  10           H        THR  10   8.495   8.780   8.589
   65    HA   THR  10           HA       THR  10   7.096   7.417  10.510
   66    HB   THR  10           HB       THR  10   6.680   9.808   8.849
   67    HG1  THR  10          1HG       THR  10   5.943   9.765  11.510
   68   1HG2  THR  10          1HG2      THR  10   4.355   9.763  10.409
   69   2HG2  THR  10          2HG2      THR  10   4.348   8.268   9.476
   70   3HG2  THR  10          3HG2      THR  10   4.485   9.824   8.651
   71    H    ALA  11           H        ALA  11   6.269   7.583   6.990
   72    HA   ALA  11           HA       ALA  11   3.894   6.087   7.165
   73   1HB   ALA  11          1HB       ALA  11   3.960   5.956   4.862
   74   2HB   ALA  11          2HB       ALA  11   5.722   5.988   4.819
   75   3HB   ALA  11          3HB       ALA  11   4.825   7.451   5.227
   76    H    PHE  12           H        PHE  12   7.269   4.983   6.639
   77    HA   PHE  12           HA       PHE  12   6.492   2.279   6.195
   78   1HB   PHE  12          1HB       PHE  12   8.785   3.538   5.734
   79   2HB   PHE  12          1HB       PHE  12   9.187   2.865   7.313
   80    HD1  PHE  12          1HD       PHE  12   7.603   1.772   4.129
   81    HD2  PHE  12          2HD       PHE  12  10.192   0.814   7.334
   82    HE1  PHE  12          1HE       PHE  12   8.137  -0.380   3.060
   83    HE2  PHE  12          2HE       PHE  12  10.751  -1.313   6.259
   84    HZ   PHE  12           HZ       PHE  12   9.721  -1.917   4.126
   85    H    CYS  13           H        CYS  13   8.136   3.778   8.948
   86    HA   CYS  13           HA       CYS  13   7.908   1.524  10.585
   87   1HB   CYS  13          1HB       CYS  13   8.649   4.383  11.076
   88   2HB   CYS  13          1HB       CYS  13   8.580   3.211  12.391
   89    H    ASN  14           H        ASN  14   5.528   4.300  10.260
   90    HA   ASN  14           HA       ASN  14   4.424   3.530  12.774
   91   1HB   ASN  14          1HB       ASN  14   4.124   5.644  10.740
   92   2HB   ASN  14          1HB       ASN  14   2.603   5.139  11.465
   93   1HD2  ASN  14          1HD2      ASN  14   5.862   6.275  12.219
   94   2HD2  ASN  14          2HD2      ASN  14   5.428   7.076  13.688
   95    H    SER  15           H        SER  15   4.030   2.839   9.362
   96    HA   SER  15           HA       SER  15   1.461   1.852   9.418
   97   1HB   SER  15          1HB       SER  15   3.520   2.257   7.505
   98   2HB   SER  15          1HB       SER  15   2.952   0.616   7.344
   99    HG   SER  15           HG       SER  15   0.791   2.048   7.577
  100    H    ASP  16           H        ASP  16   0.789  -0.057   9.380
  101    HA   ASP  16           HA       ASP  16   2.194  -2.138  10.766
  102   1HB   ASP  16          1HB       ASP  16  -0.555  -1.257  10.443
  103   2HB   ASP  16          1HB       ASP  16  -0.374  -2.991  10.676
  104    H    LEU  17           H        LEU  17   1.779  -1.470   7.673
  105    HA   LEU  17           HA       LEU  17   2.624  -3.971   6.882
  106   1HB   LEU  17          1HB       LEU  17  -0.265  -3.785   6.837
  107   2HB   LEU  17          1HB       LEU  17   0.426  -4.255   5.287
  108    HG   LEU  17           HG       LEU  17   1.783  -5.714   7.343
  109   1HD1  LEU  17          1HD1      LEU  17  -1.086  -5.354   7.728
  110   2HD1  LEU  17          2HD1      LEU  17   0.155  -5.849   8.876
  111   3HD1  LEU  17          3HD1      LEU  17  -0.533  -7.027   7.753
  112   1HD2  LEU  17          1HD2      LEU  17  -0.092  -6.441   5.125
  113   2HD2  LEU  17          2HD2      LEU  17   0.752  -7.636   6.109
  114   3HD2  LEU  17          3HD2      LEU  17   1.669  -6.502   5.112
  115    H    VAL  18           H        VAL  18   3.899  -3.665   5.269
  116    HA   VAL  18           HA       VAL  18   3.231  -1.597   3.285
  117    HB   VAL  18           HB       VAL  18   5.990  -2.022   4.438
  118   1HG1  VAL  18          1HG1      VAL  18   4.827  -0.061   2.484
  119   2HG1  VAL  18          2HG1      VAL  18   6.228  -1.121   2.310
  120   3HG1  VAL  18          3HG1      VAL  18   6.309   0.285   3.372
  121   1HG2  VAL  18          1HG2      VAL  18   4.662   0.526   5.040
  122   2HG2  VAL  18          2HG2      VAL  18   5.670  -0.505   6.054
  123   3HG2  VAL  18          3HG2      VAL  18   3.959  -0.875   5.849
  124    H    ILE  19           H        ILE  19   3.475  -2.392   1.174
  125    HA   ILE  19           HA       ILE  19   5.526  -4.424   0.719
  126    HB   ILE  19           HB       ILE  19   3.848  -5.925  -0.283
  127   1HG1  ILE  19          1HG1      ILE  19   1.571  -4.714   1.104
  128   2HG1  ILE  19          1HG1      ILE  19   2.174  -3.727  -0.218
  129   1HG2  ILE  19          1HG2      ILE  19   2.743  -5.597   2.406
  130   2HG2  ILE  19          2HG2      ILE  19   4.504  -5.690   2.318
  131   3HG2  ILE  19          3HG2      ILE  19   3.515  -6.970   1.630
  132   1HD1  ILE  19          1HD1      ILE  19   0.885  -6.403  -0.272
  133   2HD1  ILE  19          2HD1      ILE  19   2.031  -5.985  -1.547
  134   3HD1  ILE  19          3HD1      ILE  19   0.600  -4.989  -1.281
  135    H    ARG  20           H        ARG  20   6.009  -4.772  -1.402
  136    HA   ARG  20           HA       ARG  20   5.096  -2.718  -3.237
  137   1HB   ARG  20          1HB       ARG  20   6.950  -3.395  -4.665
  138   2HB   ARG  20          1HB       ARG  20   7.495  -2.938  -3.062
  139   1HG   ARG  20          1HG       ARG  20   8.014  -5.100  -2.488
  140   2HG   ARG  20          1HG       ARG  20   6.981  -5.796  -3.730
  141   1HD   ARG  20          1HD       ARG  20   9.387  -4.149  -4.448
  142   2HD   ARG  20          1HD       ARG  20   9.532  -5.862  -4.064
  143    HE   ARG  20           HE       ARG  20   8.581  -6.372  -6.062
  144   1HH1  ARG  20          1HH1      ARG  20   8.246  -2.940  -5.515
  145   2HH1  ARG  20          2HH1      ARG  20   7.548  -2.648  -7.072
  146   1HH2  ARG  20          1HH2      ARG  20   7.827  -5.916  -8.161
  147   2HH2  ARG  20          2HH2      ARG  20   7.344  -4.307  -8.554
  148    H    ALA  21           H        ALA  21   3.861  -3.076  -4.781
  149    HA   ALA  21           HA       ALA  21   3.464  -5.656  -6.026
  150   1HB   ALA  21          1HB       ALA  21   0.958  -5.634  -5.443
  151   2HB   ALA  21          2HB       ALA  21   1.474  -4.645  -4.070
  152   3HB   ALA  21          3HB       ALA  21   2.143  -6.260  -4.302
  153    H    LYS  22           H        LYS  22   1.778  -5.791  -7.564
  154    HA   LYS  22           HA       LYS  22   1.427  -3.296  -9.089
  155   1HB   LYS  22          1HB       LYS  22   1.873  -6.132  -9.789
  156   2HB   LYS  22          1HB       LYS  22   0.714  -5.304 -10.798
  157   1HG   LYS  22          1HG       LYS  22   2.644  -3.518 -10.881
  158   2HG   LYS  22          1HG       LYS  22   3.646  -4.904 -10.466
  159   1HD   LYS  22          1HD       LYS  22   1.736  -5.429 -12.626
  160   2HD   LYS  22          1HD       LYS  22   2.892  -4.159 -12.996
  161   1HE   LYS  22          1HE       LYS  22   4.658  -5.567 -12.990
  162   2HE   LYS  22          1HE       LYS  22   3.964  -6.610 -11.751
  163   1HZ   LYS  22          1HZ       LYS  22   2.766  -6.543 -14.437
  164   2HZ   LYS  22          2HZ       LYS  22   2.762  -7.789 -13.295
  165   3HZ   LYS  22          3HZ       LYS  22   4.168  -7.451 -14.172
  166    H    PHE  23           H        PHE  23  -0.667  -2.915 -10.087
  167    HA   PHE  23           HA       PHE  23  -2.821  -4.153  -8.531
  168   1HB   PHE  23          1HB       PHE  23  -2.680  -1.535 -10.015
  169   2HB   PHE  23          1HB       PHE  23  -4.214  -2.238  -9.507
  170    HD1  PHE  23          1HD       PHE  23  -0.881  -1.330  -8.124
  171    HD2  PHE  23          2HD       PHE  23  -5.066  -1.694  -7.438
  172    HE1  PHE  23          1HE       PHE  23  -0.603  -0.310  -5.902
  173    HE2  PHE  23          2HE       PHE  23  -4.794  -0.671  -5.215
  174    HZ   PHE  23           HZ       PHE  23  -2.561   0.025  -4.447
  175    H    VAL  24           H        VAL  24  -3.840  -5.637  -9.280
  176    HA   VAL  24           HA       VAL  24  -4.422  -5.783 -12.146
  177    HB   VAL  24           HB       VAL  24  -3.803  -8.148 -12.025
  178   1HG1  VAL  24          1HG1      VAL  24  -2.015  -7.117 -12.968
  179   2HG1  VAL  24          2HG1      VAL  24  -1.259  -7.559 -11.440
  180   3HG1  VAL  24          3HG1      VAL  24  -1.931  -5.948 -11.650
  181   1HG2  VAL  24          1HG2      VAL  24  -2.661  -7.546  -9.390
  182   2HG2  VAL  24          2HG2      VAL  24  -2.752  -9.126 -10.163
  183   3HG2  VAL  24          3HG2      VAL  24  -4.222  -8.330  -9.583
  184    H    GLY  25           H        GLY  25  -6.368  -4.923 -10.522
  185   1HA   GLY  25          2HA       GLY  25  -8.398  -6.886 -10.856
  186   2HA   GLY  25          1HA       GLY  25  -8.039  -6.612  -9.166
  187    H    THR  26           H        THR  26 -10.586  -5.968 -10.208
  188    HA   THR  26           HA       THR  26 -10.557  -3.110 -10.667
  189    HB   THR  26           HB       THR  26 -11.794  -4.626 -12.143
  190    HG1  THR  26          1HG       THR  26 -13.509  -2.978 -10.613
  191   1HG2  THR  26          1HG2      THR  26 -13.771  -5.777 -11.473
  192   2HG2  THR  26          2HG2      THR  26 -13.622  -5.172  -9.823
  193   3HG2  THR  26          3HG2      THR  26 -12.436  -6.316 -10.455
  194    HA   PRO  27           HA       PRO  27 -12.035  -1.755  -6.749
  195   1HB   PRO  27          1HB       PRO  27 -13.631   0.305  -7.430
  196   2HB   PRO  27          1HB       PRO  27 -11.883   0.352  -7.609
  197   1HG   PRO  27          1HG       PRO  27 -13.963  -0.223  -9.665
  198   2HG   PRO  27          1HG       PRO  27 -12.554   0.851  -9.761
  199   1HD   PRO  27          1HD       PRO  27 -12.531  -1.610 -10.820
  200   2HD   PRO  27          1HD       PRO  27 -11.081  -0.894 -10.094
  201    H    GLU  28           H        GLU  28 -13.315  -3.086  -5.619
  202    HA   GLU  28           HA       GLU  28 -16.075  -3.507  -6.439
  203   1HB   GLU  28          1HB       GLU  28 -14.216  -4.798  -4.646
  204   2HB   GLU  28          1HB       GLU  28 -15.756  -4.517  -3.847
  205   1HG   GLU  28          1HG       GLU  28 -16.870  -5.568  -5.806
  206   2HG   GLU  28          1HG       GLU  28 -15.269  -6.015  -6.396
  207    H    VAL  29           H        VAL  29 -17.632  -2.054  -5.943
  208    HA   VAL  29           HA       VAL  29 -17.217  -0.442  -3.525
  209    HB   VAL  29           HB       VAL  29 -19.000   0.435  -5.691
  210   1HG1  VAL  29          1HG1      VAL  29 -18.768   1.551  -3.429
  211   2HG1  VAL  29          2HG1      VAL  29 -18.607   2.576  -4.858
  212   3HG1  VAL  29          3HG1      VAL  29 -17.171   2.055  -3.977
  213   1HG2  VAL  29          1HG2      VAL  29 -17.380   0.818  -7.175
  214   2HG2  VAL  29          2HG2      VAL  29 -16.343  -0.223  -6.199
  215   3HG2  VAL  29          3HG2      VAL  29 -16.331   1.521  -5.948
  216    H    ASN  30           H        ASN  30 -18.482  -1.485  -1.871
  217    HA   ASN  30           HA       ASN  30 -21.233  -2.076  -2.460
  218   1HB   ASN  30          1HB       ASN  30 -19.681  -2.987  -0.469
  219   2HB   ASN  30          1HB       ASN  30 -20.456  -1.652   0.382
  220   1HD2  ASN  30          1HD2      ASN  30 -22.627  -1.718   0.793
  221   2HD2  ASN  30          2HD2      ASN  30 -23.584  -3.137   0.603
  222    H    GLN  31           H        GLN  31 -23.027  -1.063  -1.499
  223    HA   GLN  31           HA       GLN  31 -22.875   1.850  -1.606
  224   1HB   GLN  31          1HB       GLN  31 -25.294   0.079  -1.190
  225   2HB   GLN  31          1HB       GLN  31 -25.304   1.784  -1.649
  226   1HG   GLN  31          1HG       GLN  31 -23.957  -0.266  -3.355
  227   2HG   GLN  31          1HG       GLN  31 -25.692   0.016  -3.473
  228   1HE2  GLN  31          1HE2      GLN  31 -22.539   1.600  -3.694
  229   2HE2  GLN  31          2HE2      GLN  31 -23.034   2.827  -4.805
  230    H    THR  32           H        THR  32 -22.662  -0.584   0.612
  231    HA   THR  32           HA       THR  32 -23.227   1.207   2.848
  232    HB   THR  32           HB       THR  32 -24.597  -1.324   2.059
  233    HG1  THR  32          1HG       THR  32 -26.317  -0.153   2.473
  234   1HG2  THR  32          1HG2      THR  32 -24.815  -0.596   4.941
  235   2HG2  THR  32          2HG2      THR  32 -23.528  -1.691   4.431
  236   3HG2  THR  32          3HG2      THR  32 -25.212  -2.103   4.116
  237    H    THR  33           H        THR  33 -20.804   0.780   2.040
  238    HA   THR  33           HA       THR  33 -19.685  -1.148   3.950
  239    HB   THR  33           HB       THR  33 -18.689  -1.869   2.015
  240    HG1  THR  33          1HG       THR  33 -17.119  -0.847   3.351
  241   1HG2  THR  33          1HG2      THR  33 -18.100   0.575   0.590
  242   2HG2  THR  33          2HG2      THR  33 -19.828   0.253   0.707
  243   3HG2  THR  33          3HG2      THR  33 -18.756  -0.931  -0.042
  244    H    LEU  34           H        LEU  34 -19.146   1.830   2.125
  245    HA   LEU  34           HA       LEU  34 -18.412   3.879   2.980
  246   1HB   LEU  34          1HB       LEU  34 -18.209   2.285   5.449
  247   2HB   LEU  34          1HB       LEU  34 -16.950   3.439   5.241
  248    HG   LEU  34           HG       LEU  34 -19.908   3.983   5.317
  249   1HD1  LEU  34          1HD1      LEU  34 -17.956   3.687   7.342
  250   2HD1  LEU  34          2HD1      LEU  34 -19.602   4.298   7.528
  251   3HD1  LEU  34          3HD1      LEU  34 -18.277   5.414   7.203
  252   1HD2  LEU  34          1HD2      LEU  34 -17.958   5.367   3.922
  253   2HD2  LEU  34          2HD2      LEU  34 -18.068   6.229   5.460
  254   3HD2  LEU  34          3HD2      LEU  34 -19.508   6.031   4.465
  255    H    TYR  35           H        TYR  35 -17.016   0.907   2.555
  256    HA   TYR  35           HA       TYR  35 -14.608   2.112   1.489
  257   1HB   TYR  35          1HB       TYR  35 -13.345   0.072   2.444
  258   2HB   TYR  35          1HB       TYR  35 -13.669   1.457   3.454
  259    HD1  TYR  35          1HD       TYR  35 -14.284  -2.020   2.922
  260    HD2  TYR  35          2HD       TYR  35 -15.417   1.421   5.131
  261    HE1  TYR  35          1HE       TYR  35 -15.342  -3.459   4.614
  262    HE2  TYR  35          2HE       TYR  35 -16.471   0.018   6.821
  263    HH   TYR  35           HH       TYR  35 -17.106  -3.269   6.356
  264    H    GLN  36           H        GLN  36 -13.250   0.661   0.264
  265    HA   GLN  36           HA       GLN  36 -14.881  -1.277  -1.183
  266   1HB   GLN  36          1HB       GLN  36 -13.062   0.901  -2.190
  267   2HB   GLN  36          1HB       GLN  36 -13.713  -0.378  -3.219
  268   1HG   GLN  36          1HG       GLN  36 -15.768   0.533  -3.247
  269   2HG   GLN  36          1HG       GLN  36 -15.636   1.143  -1.596
  270   1HE2  GLN  36          1HE2      GLN  36 -13.894   2.912  -1.404
  271   2HE2  GLN  36          2HE2      GLN  36 -13.958   4.147  -2.610
  272    H    ARG  37           H        ARG  37 -13.085  -2.203  -2.919
  273    HA   ARG  37           HA       ARG  37 -10.607  -2.768  -1.558
  274   1HB   ARG  37          1HB       ARG  37 -11.203  -4.728  -0.709
  275   2HB   ARG  37          1HB       ARG  37 -12.817  -4.543  -1.366
  276   1HG   ARG  37          1HG       ARG  37 -11.453  -5.413  -3.548
  277   2HG   ARG  37          1HG       ARG  37 -10.598  -6.235  -2.243
  278   1HD   ARG  37          1HD       ARG  37 -12.633  -7.208  -1.434
  279   2HD   ARG  37          1HD       ARG  37 -13.598  -6.257  -2.558
  280    HE   ARG  37           HE       ARG  37 -12.507  -8.761  -3.074
  281   1HH1  ARG  37          1HH1      ARG  37 -12.705  -5.633  -4.619
  282   2HH1  ARG  37          2HH1      ARG  37 -12.541  -6.277  -6.216
  283   1HH2  ARG  37          1HH2      ARG  37 -12.326  -9.597  -5.184
  284   2HH2  ARG  37          2HH2      ARG  37 -12.341  -8.514  -6.535
  285    H    TYR  38           H        TYR  38  -9.007  -3.309  -2.852
  286    HA   TYR  38           HA       TYR  38  -9.521  -3.419  -5.775
  287   1HB   TYR  38          1HB       TYR  38  -7.309  -2.056  -4.228
  288   2HB   TYR  38          1HB       TYR  38  -7.041  -2.578  -5.878
  289    HD1  TYR  38          1HD       TYR  38  -6.590   0.185  -5.145
  290    HD2  TYR  38          2HD       TYR  38 -10.204  -1.702  -6.318
  291    HE1  TYR  38          1HE       TYR  38  -7.436   2.334  -5.946
  292    HE2  TYR  38          2HE       TYR  38 -11.030   0.457  -7.110
  293    HH   TYR  38           HH       TYR  38 -10.340   2.574  -7.811
  294    H    GLU  39           H        GLU  39  -8.322  -5.037  -6.941
  295    HA   GLU  39           HA       GLU  39  -6.943  -6.931  -5.196
  296   1HB   GLU  39          1HB       GLU  39  -8.033  -7.256  -8.001
  297   2HB   GLU  39          1HB       GLU  39  -7.268  -8.526  -7.077
  298   1HG   GLU  39          1HG       GLU  39  -9.145  -8.156  -5.374
  299   2HG   GLU  39          1HG       GLU  39  -9.931  -7.220  -6.642
  300    H    ILE  40           H        ILE  40  -4.799  -7.252  -5.398
  301    HA   ILE  40           HA       ILE  40  -3.532  -5.796  -7.621
  302    HB   ILE  40           HB       ILE  40  -1.526  -5.744  -5.994
  303   1HG1  ILE  40          1HG1      ILE  40  -3.768  -5.913  -3.978
  304   2HG1  ILE  40          1HG1      ILE  40  -2.672  -7.249  -4.326
  305   1HG2  ILE  40          1HG2      ILE  40  -3.168  -3.795  -4.819
  306   2HG2  ILE  40          2HG2      ILE  40  -3.756  -4.015  -6.468
  307   3HG2  ILE  40          3HG2      ILE  40  -2.066  -3.606  -6.181
  308   1HD1  ILE  40          1HD1      ILE  40  -0.918  -6.265  -3.270
  309   2HD1  ILE  40          2HD1      ILE  40  -2.241  -5.553  -2.345
  310   3HD1  ILE  40          3HD1      ILE  40  -1.470  -4.631  -3.636
  311    H    LYS  41           H        LYS  41  -1.162  -6.480  -7.851
  312    HA   LYS  41           HA       LYS  41  -1.005  -9.381  -7.960
  313   1HB   LYS  41          1HB       LYS  41  -0.949  -8.304 -10.167
  314   2HB   LYS  41          1HB       LYS  41   0.417  -7.341  -9.647
  315   1HG   LYS  41          1HG       LYS  41   1.495  -8.944 -10.813
  316   2HG   LYS  41          1HG       LYS  41   1.465  -9.733  -9.233
  317   1HD   LYS  41          1HD       LYS  41  -0.895 -10.180 -10.953
  318   2HD   LYS  41          1HD       LYS  41   0.617 -10.906 -11.510
  319   1HE   LYS  41          1HE       LYS  41   0.891 -12.013  -9.363
  320   2HE   LYS  41          1HE       LYS  41  -0.587 -11.258  -8.770
  321   1HZ   LYS  41          1HZ       LYS  41  -0.660 -12.920 -11.197
  322   2HZ   LYS  41          2HZ       LYS  41  -1.898 -12.584 -10.095
  323   3HZ   LYS  41          3HZ       LYS  41  -0.660 -13.657  -9.674
  324    H    MET  42           H        MET  42  -0.356  -9.196  -5.685
  325    HA   MET  42           HA       MET  42   1.551  -7.589  -4.690
  326   1HB   MET  42          1HB       MET  42   0.259  -8.781  -3.209
  327   2HB   MET  42          1HB       MET  42   0.597 -10.327  -3.972
  328   1HG   MET  42          1HG       MET  42   3.028  -9.189  -2.986
  329   2HG   MET  42          1HG       MET  42   1.786  -9.142  -1.748
  330   1HE   MET  42          1HE       MET  42   0.727 -12.023  -0.679
  331   2HE   MET  42          2HE       MET  42   0.373 -12.696  -2.268
  332   3HE   MET  42          3HE       MET  42   0.026 -11.000  -1.930
  333    H    THR  43           H        THR  43   3.698  -7.338  -4.829
  334    HA   THR  43           HA       THR  43   5.153  -9.362  -6.312
  335    HB   THR  43           HB       THR  43   6.396  -6.787  -5.466
  336    HG1  THR  43          1HG       THR  43   4.854  -5.786  -6.420
  337   1HG2  THR  43          1HG2      THR  43   6.900  -7.168  -8.096
  338   2HG2  THR  43          2HG2      THR  43   6.838  -8.824  -7.495
  339   3HG2  THR  43          3HG2      THR  43   7.958  -7.667  -6.776
  340    H    LYS  44           H        LYS  44   5.953  -7.275  -3.467
  341    HA   LYS  44           HA       LYS  44   6.894  -9.606  -2.042
  342   1HB   LYS  44          1HB       LYS  44   8.724  -7.923  -3.430
  343   2HB   LYS  44          1HB       LYS  44   8.907  -7.610  -1.714
  344   1HG   LYS  44          1HG       LYS  44   8.832 -10.428  -2.624
  345   2HG   LYS  44          1HG       LYS  44  10.289  -9.472  -2.911
  346   1HD   LYS  44          1HD       LYS  44  10.900  -9.936  -0.815
  347   2HD   LYS  44          1HD       LYS  44   9.578  -8.898  -0.277
  348   1HE   LYS  44          1HE       LYS  44   8.074 -10.804  -0.227
  349   2HE   LYS  44          1HE       LYS  44   9.354 -11.851  -0.840
  350   1HZ   LYS  44          1HZ       LYS  44  10.568 -11.608   1.155
  351   2HZ   LYS  44          2HZ       LYS  44   8.975 -11.938   1.616
  352   3HZ   LYS  44          3HZ       LYS  44   9.572 -10.359   1.713
  353    H    MET  45           H        MET  45   6.755  -9.345   0.178
  354    HA   MET  45           HA       MET  45   5.363  -6.968   1.115
  355   1HB   MET  45          1HB       MET  45   5.864  -9.722   2.186
  356   2HB   MET  45          1HB       MET  45   5.466  -8.447   3.323
  357   1HG   MET  45          1HG       MET  45   3.564  -9.876   2.543
  358   2HG   MET  45          1HG       MET  45   3.351  -8.140   2.389
  359   1HE   MET  45          1HE       MET  45   1.620  -8.219  -0.786
  360   2HE   MET  45          2HE       MET  45   1.920  -7.519   0.803
  361   3HE   MET  45          3HE       MET  45   1.187  -9.118   0.667
  362    H    TYR  46           H        TYR  46   6.354  -5.338   2.394
  363    HA   TYR  46           HA       TYR  46   9.089  -5.909   3.283
  364   1HB   TYR  46          1HB       TYR  46   7.854  -3.290   2.410
  365   2HB   TYR  46          1HB       TYR  46   9.451  -3.444   3.121
  366    HD1  TYR  46          1HD       TYR  46  10.597  -2.471   1.248
  367    HD2  TYR  46          2HD       TYR  46   8.154  -5.862   0.673
  368    HE1  TYR  46          1HE       TYR  46  11.615  -2.819  -0.954
  369    HE2  TYR  46          2HE       TYR  46   9.140  -6.202  -1.511
  370    HH   TYR  46           HH       TYR  46  11.282  -5.651  -2.687
  371    H    LYS  47           H        LYS  47   6.370  -6.168   4.645
  372    HA   LYS  47           HA       LYS  47   7.025  -5.770   7.241
  373   1HB   LYS  47          1HB       LYS  47   6.741  -3.245   6.246
  374   2HB   LYS  47          1HB       LYS  47   5.120  -3.550   6.857
  375   1HG   LYS  47          1HG       LYS  47   6.449  -4.385   8.976
  376   2HG   LYS  47          1HG       LYS  47   7.690  -3.310   8.327
  377   1HD   LYS  47          1HD       LYS  47   6.074  -1.472   8.295
  378   2HD   LYS  47          1HD       LYS  47   4.839  -2.549   8.951
  379   1HE   LYS  47          1HE       LYS  47   5.511  -1.751  10.938
  380   2HE   LYS  47          1HE       LYS  47   6.846  -2.887  10.749
  381   1HZ   LYS  47          1HZ       LYS  47   8.309  -1.239  10.323
  382   2HZ   LYS  47          2HZ       LYS  47   7.209  -0.315  11.216
  383   3HZ   LYS  47          3HZ       LYS  47   7.178  -0.264   9.526
  384    H    GLY  48           H        GLY  48   5.629  -7.206   8.237
  385   1HA   GLY  48          2HA       GLY  48   2.949  -7.089   8.468
  386   2HA   GLY  48          1HA       GLY  48   3.155  -7.841   6.888
  387    H    PHE  49           H        PHE  49   5.812  -8.964   8.339
  388    HA   PHE  49           HA       PHE  49   4.599 -11.468   9.035
  389   1HB   PHE  49          1HB       PHE  49   7.446 -10.699   9.627
  390   2HB   PHE  49          1HB       PHE  49   6.787 -12.302   9.322
  391    HD1  PHE  49          1HD       PHE  49   9.006 -10.197   8.026
  392    HD2  PHE  49          2HD       PHE  49   5.371 -12.055   6.861
  393    HE1  PHE  49          1HE       PHE  49   9.684 -10.030   5.663
  394    HE2  PHE  49          2HE       PHE  49   6.041 -11.864   4.522
  395    HZ   PHE  49           HZ       PHE  49   8.188 -10.877   3.909
  396    H    GLN  50           H        GLN  50   4.230  -8.816  10.518
  397    HA   GLN  50           HA       GLN  50   4.917  -9.745  13.219
  398   1HB   GLN  50          1HB       GLN  50   3.451  -7.196  13.023
  399   2HB   GLN  50          1HB       GLN  50   4.885  -7.587  13.958
  400   1HG   GLN  50          1HG       GLN  50   6.043  -7.468  11.595
  401   2HG   GLN  50          1HG       GLN  50   4.648  -6.452  11.229
  402   1HE2  GLN  50          1HE2      GLN  50   7.155  -6.883  13.708
  403   2HE2  GLN  50          2HE2      GLN  50   7.379  -5.199  14.019
  404    H    ALA  51           H        ALA  51   2.360  -8.311  11.253
  405    HA   ALA  51           HA       ALA  51   0.120  -8.887  12.636
  406   1HB   ALA  51          1HB       ALA  51  -0.197  -7.724  10.654
  407   2HB   ALA  51          2HB       ALA  51  -0.954  -9.285  10.329
  408   3HB   ALA  51          3HB       ALA  51   0.655  -8.935   9.697
  409    H    LEU  52           H        LEU  52   1.808 -11.098  10.430
  410    HA   LEU  52           HA       LEU  52   0.929 -13.372  11.977
  411   1HB   LEU  52          1HB       LEU  52   0.397 -14.424   9.547
  412   2HB   LEU  52          1HB       LEU  52  -0.812 -13.815  10.654
  413    HG   LEU  52           HG       LEU  52  -0.989 -11.753   9.458
  414   1HD1  LEU  52          1HD1      LEU  52   1.589 -11.882   8.853
  415   2HD1  LEU  52          2HD1      LEU  52   0.455 -10.964   7.864
  416   3HD1  LEU  52          3HD1      LEU  52   0.958 -12.578   7.362
  417   1HD2  LEU  52          1HD2      LEU  52  -0.874 -13.479   7.109
  418   2HD2  LEU  52          2HD2      LEU  52  -2.249 -12.644   7.833
  419   3HD2  LEU  52          3HD2      LEU  52  -1.719 -14.200   8.476
  420    H    GLY  53           H        GLY  53   2.001 -13.807   8.633
  421   1HA   GLY  53          2HA       GLY  53   4.705 -13.685   9.029
  422   2HA   GLY  53          1HA       GLY  53   4.243 -15.269   9.612
  423    H    ASP  54           H        ASP  54   2.080 -15.122   7.418
  424    HA   ASP  54           HA       ASP  54   3.665 -16.427   5.397
  425   1HB   ASP  54          1HB       ASP  54   1.415 -16.776   4.298
  426   2HB   ASP  54          1HB       ASP  54   1.549 -17.456   5.915
  427    H    ALA  55           H        ALA  55   4.876 -14.892   4.525
  428    HA   ALA  55           HA       ALA  55   4.524 -12.313   4.004
  429   1HB   ALA  55          1HB       ALA  55   6.040 -12.633   1.999
  430   2HB   ALA  55          2HB       ALA  55   5.940 -14.359   2.343
  431   3HB   ALA  55          3HB       ALA  55   6.610 -13.260   3.547
  432    H    ALA  56           H        ALA  56   2.390 -14.518   2.638
  433    HA   ALA  56           HA       ALA  56   1.772 -12.588   0.508
  434   1HB   ALA  56          1HB       ALA  56   0.409 -15.041   0.046
  435   2HB   ALA  56          2HB       ALA  56   2.105 -15.407   0.365
  436   3HB   ALA  56          3HB       ALA  56   1.672 -14.284  -0.923
  437    H    ASP  57           H        ASP  57   1.029 -12.423   3.270
  438    HA   ASP  57           HA       ASP  57  -1.763 -13.114   3.421
  439   1HB   ASP  57          1HB       ASP  57  -1.551 -12.778   5.634
  440   2HB   ASP  57          1HB       ASP  57   0.168 -12.935   5.284
  441    H    ILE  58           H        ILE  58  -0.567 -10.898   1.542
  442    HA   ILE  58           HA       ILE  58  -2.725  -8.994   2.114
  443    HB   ILE  58           HB       ILE  58  -0.026  -7.967   1.336
  444   1HG1  ILE  58          1HG1      ILE  58  -0.468  -7.513   4.098
  445   2HG1  ILE  58          1HG1      ILE  58  -0.624  -9.237   3.818
  446   1HG2  ILE  58          1HG2      ILE  58  -2.283  -6.687   1.276
  447   2HG2  ILE  58          2HG2      ILE  58  -0.821  -5.905   1.881
  448   3HG2  ILE  58          3HG2      ILE  58  -2.014  -6.537   3.015
  449   1HD1  ILE  58          1HD1      ILE  58   1.653  -8.530   4.439
  450   2HD1  ILE  58          2HD1      ILE  58   1.726  -7.586   2.953
  451   3HD1  ILE  58          3HD1      ILE  58   1.572  -9.340   2.875
  452    H    ARG  59           H        ARG  59  -3.861  -9.712   0.151
  453    HA   ARG  59           HA       ARG  59  -2.376  -9.068  -2.296
  454   1HB   ARG  59          1HB       ARG  59  -4.616 -11.036  -2.230
  455   2HB   ARG  59          1HB       ARG  59  -3.258 -10.935  -3.340
  456   1HG   ARG  59          1HG       ARG  59  -1.775 -11.818  -1.710
  457   2HG   ARG  59          1HG       ARG  59  -3.001 -11.724  -0.451
  458   1HD   ARG  59          1HD       ARG  59  -3.481 -13.345  -2.923
  459   2HD   ARG  59          1HD       ARG  59  -2.532 -14.006  -1.593
  460    HE   ARG  59           HE       ARG  59  -5.378 -13.577  -1.659
  461   1HH1  ARG  59          1HH1      ARG  59  -2.581 -13.988   0.386
  462   2HH1  ARG  59          2HH1      ARG  59  -3.502 -14.527   1.749
  463   1HH2  ARG  59          1HH2      ARG  59  -6.591 -14.286   0.134
  464   2HH2  ARG  59          2HH2      ARG  59  -5.777 -14.696   1.607
  465    H    PHE  60           H        PHE  60  -4.762  -7.939  -0.389
  466    HA   PHE  60           HA       PHE  60  -6.062  -6.493  -2.506
  467   1HB   PHE  60          1HB       PHE  60  -7.638  -7.869  -0.320
  468   2HB   PHE  60          1HB       PHE  60  -8.280  -6.932  -1.666
  469    HD1  PHE  60          1HD       PHE  60  -7.272 -10.171  -0.535
  470    HD2  PHE  60          2HD       PHE  60  -8.018  -7.813  -3.968
  471    HE1  PHE  60          1HE       PHE  60  -7.487 -12.217  -1.887
  472    HE2  PHE  60          2HE       PHE  60  -8.210  -9.846  -5.327
  473    HZ   PHE  60           HZ       PHE  60  -7.967 -12.050  -4.290
  474    H    VAL  61           H        VAL  61  -6.833  -4.596  -1.926
  475    HA   VAL  61           HA       VAL  61  -5.927  -3.609   0.694
  476    HB   VAL  61           HB       VAL  61  -5.130  -1.720  -0.304
  477   1HG1  VAL  61          1HG1      VAL  61  -4.623  -4.110  -1.908
  478   2HG1  VAL  61          2HG1      VAL  61  -3.496  -3.082  -1.024
  479   3HG1  VAL  61          3HG1      VAL  61  -4.109  -2.576  -2.598
  480   1HG2  VAL  61          1HG2      VAL  61  -7.211  -2.181  -2.293
  481   2HG2  VAL  61          2HG2      VAL  61  -5.737  -1.435  -2.903
  482   3HG2  VAL  61          3HG2      VAL  61  -6.640  -0.666  -1.597
  483    H    TYR  62           H        TYR  62  -7.417  -2.652   1.970
  484    HA   TYR  62           HA       TYR  62  -9.991  -2.019   0.784
  485   1HB   TYR  62          1HB       TYR  62  -9.293  -2.619   3.658
  486   2HB   TYR  62          1HB       TYR  62 -10.908  -2.290   3.044
  487    HD1  TYR  62          1HD       TYR  62 -12.176  -4.190   3.056
  488    HD2  TYR  62          2HD       TYR  62  -8.103  -4.508   1.819
  489    HE1  TYR  62          1HE       TYR  62 -12.512  -6.567   2.537
  490    HE2  TYR  62          2HE       TYR  62  -8.440  -6.870   1.310
  491    HH   TYR  62           HH       TYR  62 -11.493  -8.305   1.104
  492    H    THR  63           H        THR  63 -10.255  -0.013   0.304
  493    HA   THR  63           HA       THR  63  -9.395   2.153   2.124
  494    HB   THR  63           HB       THR  63  -8.412   2.908   0.193
  495    HG1  THR  63          1HG       THR  63 -10.304   4.206   0.522
  496   1HG2  THR  63          1HG2      THR  63 -10.418   1.836  -1.724
  497   2HG2  THR  63          2HG2      THR  63  -9.249   0.700  -1.029
  498   3HG2  THR  63          3HG2      THR  63  -8.687   2.107  -1.932
  499    HA   PRO  64           HA       PRO  64 -13.779   2.803   2.992
  500   1HB   PRO  64          1HB       PRO  64 -12.942   5.629   3.242
  501   2HB   PRO  64          1HB       PRO  64 -13.865   4.610   4.348
  502   1HG   PRO  64          1HG       PRO  64 -11.319   5.201   4.849
  503   2HG   PRO  64          1HG       PRO  64 -11.977   3.593   5.209
  504   1HD   PRO  64          1HD       PRO  64 -10.211   4.460   2.967
  505   2HD   PRO  64          1HD       PRO  64 -10.228   2.926   3.855
  506    H    ALA  65           H        ALA  65 -15.524   3.489   1.843
  507    HA   ALA  65           HA       ALA  65 -15.047   4.605  -0.710
  508   1HB   ALA  65          1HB       ALA  65 -17.004   2.744   0.396
  509   2HB   ALA  65          2HB       ALA  65 -16.174   2.724  -1.157
  510   3HB   ALA  65          3HB       ALA  65 -17.566   3.778  -0.920
  511    H    MET  66           H        MET  66 -15.701   6.011   2.040
  512    HA   MET  66           HA       MET  66 -18.101   7.447   1.419
  513   1HB   MET  66          1HB       MET  66 -17.390   8.894   3.380
  514   2HB   MET  66          1HB       MET  66 -17.688   7.198   3.714
  515   1HG   MET  66          1HG       MET  66 -14.973   7.375   3.092
  516   2HG   MET  66          1HG       MET  66 -15.321   8.757   4.126
  517   1HE   MET  66          1HE       MET  66 -14.011   8.323   6.036
  518   2HE   MET  66          2HE       MET  66 -14.496   7.237   7.339
  519   3HE   MET  66          3HE       MET  66 -15.579   8.526   6.813
  520    H    GLU  67           H        GLU  67 -18.048   9.931   1.532
  521    HA   GLU  67           HA       GLU  67 -16.443  10.831  -0.681
  522   1HB   GLU  67          1HB       GLU  67 -18.881  11.445  -0.155
  523   2HB   GLU  67          1HB       GLU  67 -18.215  12.564   1.024
  524   1HG   GLU  67          1HG       GLU  67 -18.526  13.897  -0.827
  525   2HG   GLU  67          1HG       GLU  67 -16.822  13.462  -0.951
  526    H    SER  68           H        SER  68 -14.853  12.407  -0.700
  527    HA   SER  68           HA       SER  68 -12.977  13.461   0.063
  528   1HB   SER  68          1HB       SER  68 -13.332  15.153   1.723
  529   2HB   SER  68          1HB       SER  68 -14.831  15.022   0.803
  530    HG   SER  68           HG       SER  68 -14.379  14.578   3.442
  531    H    VAL  69           H        VAL  69 -13.247  10.744   0.798
  532    HA   VAL  69           HA       VAL  69 -12.247  10.558   3.534
  533    HB   VAL  69           HB       VAL  69 -14.010   9.039   2.711
  534   1HG1  VAL  69          1HG1      VAL  69 -13.734   8.340   0.603
  535   2HG1  VAL  69          2HG1      VAL  69 -12.830   7.035   1.363
  536   3HG1  VAL  69          3HG1      VAL  69 -11.978   8.425   0.692
  537   1HG2  VAL  69          1HG2      VAL  69 -13.322   7.309   4.029
  538   2HG2  VAL  69          2HG2      VAL  69 -12.125   8.518   4.486
  539   3HG2  VAL  69          3HG2      VAL  69 -11.714   7.272   3.307
  540    H    CYS  70           H        CYS  70 -10.411   9.137   4.011
  541    HA   CYS  70           HA       CYS  70  -8.301   9.453   2.001
  542   1HB   CYS  70          1HB       CYS  70  -7.677   8.413   4.729
  543   2HB   CYS  70          1HB       CYS  70  -6.741   9.495   3.703
  544    H    GLY  71           H        GLY  71  -9.379   7.921   0.841
  545   1HA   GLY  71          2HA       GLY  71  -9.088   5.157   1.750
  546   2HA   GLY  71          1HA       GLY  71 -10.039   5.702   0.364
  547    H    TYR  72           H        TYR  72  -9.143   5.678  -1.562
  548    HA   TYR  72           HA       TYR  72  -6.391   6.133  -1.959
  549   1HB   TYR  72          1HB       TYR  72  -6.572   3.740  -1.051
  550   2HB   TYR  72          1HB       TYR  72  -7.177   3.338  -2.656
  551    HD1  TYR  72          1HD       TYR  72  -4.297   4.391  -0.709
  552    HD2  TYR  72          2HD       TYR  72  -5.725   3.430  -4.579
  553    HE1  TYR  72          1HE       TYR  72  -2.003   4.218  -1.502
  554    HE2  TYR  72          2HE       TYR  72  -3.415   3.258  -5.406
  555    HH   TYR  72           HH       TYR  72  -1.237   3.728  -4.916
  556    H    PHE  73           H        PHE  73  -7.494   7.694  -3.419
  557    HA   PHE  73           HA       PHE  73  -8.883   6.612  -5.654
  558   1HB   PHE  73          1HB       PHE  73  -8.057   9.311  -4.795
  559   2HB   PHE  73          1HB       PHE  73  -8.175   9.084  -6.537
  560    HD1  PHE  73          1HD       PHE  73 -10.332   8.500  -7.570
  561    HD2  PHE  73          2HD       PHE  73 -10.020   9.323  -3.408
  562    HE1  PHE  73          1HE       PHE  73 -12.773   8.798  -7.452
  563    HE2  PHE  73          2HE       PHE  73 -12.461   9.619  -3.283
  564    HZ   PHE  73           HZ       PHE  73 -13.840   9.358  -5.306
  565    H    HIS  74           H        HIS  74  -7.739   5.103  -6.556
  566    HA   HIS  74           HA       HIS  74  -5.051   5.797  -7.486
  567   1HB   HIS  74          1HB       HIS  74  -5.128   3.741  -6.331
  568   2HB   HIS  74          1HB       HIS  74  -6.453   3.145  -7.304
  569    HD1  HIS  74          1HD       HIS  74  -5.346   1.139  -8.310
  570    HD2  HIS  74          2HD       HIS  74  -3.062   4.576  -8.744
  571    HE1  HIS  74          1HE       HIS  74  -3.434   0.491  -9.794
  572    HE2  HIS  74          2HE       HIS  74  -1.969   2.513  -9.861
  573    H    ARG  75           H        ARG  75  -4.539   6.369  -9.406
  574    HA   ARG  75           HA       ARG  75  -6.347   5.719 -11.638
  575   1HB   ARG  75          1HB       ARG  75  -4.735   8.263 -11.360
  576   2HB   ARG  75          1HB       ARG  75  -5.932   7.895 -12.594
  577   1HG   ARG  75          1HG       ARG  75  -6.534   8.178  -9.657
  578   2HG   ARG  75          1HG       ARG  75  -6.745   9.454 -10.858
  579   1HD   ARG  75          1HD       ARG  75  -8.017   7.079 -11.798
  580   2HD   ARG  75          1HD       ARG  75  -8.543   7.389 -10.146
  581    HE   ARG  75           HE       ARG  75  -8.767   9.351 -12.338
  582   1HH1  ARG  75          1HH1      ARG  75 -10.010   7.880  -9.419
  583   2HH1  ARG  75          2HH1      ARG  75 -11.431   8.865  -9.389
  584   1HH2  ARG  75          1HH2      ARG  75 -10.645  10.633 -12.288
  585   2HH2  ARG  75          2HH2      ARG  75 -11.793  10.419 -11.010
  586    H    SER  76           H        SER  76  -4.426   3.932 -11.239
  587    HA   SER  76           HA       SER  76  -2.584   4.462 -13.446
  588   1HB   SER  76          1HB       SER  76  -1.733   3.679 -10.659
  589   2HB   SER  76          1HB       SER  76  -0.719   3.353 -12.056
  590    HG   SER  76           HG       SER  76  -1.416   5.866 -12.251
  591    H    HIS  77           H        HIS  77  -4.132   3.015 -14.486
  592    HA   HIS  77           HA       HIS  77  -3.985   0.226 -13.631
  593   1HB   HIS  77          1HB       HIS  77  -6.066   1.746 -14.698
  594   2HB   HIS  77          1HB       HIS  77  -5.597   0.653 -15.997
  595    HD1  HIS  77          1HD       HIS  77  -5.472  -0.278 -12.346
  596    HD2  HIS  77          2HD       HIS  77  -7.719  -1.092 -15.746
  597    HE1  HIS  77          1HE       HIS  77  -6.983  -2.185 -11.711
  598    HE2  HIS  77          2HE       HIS  77  -8.367  -2.631 -13.770
  599    H    ASN  78           H        ASN  78  -1.839  -0.044 -14.215
  600    HA   ASN  78           HA       ASN  78  -1.590  -0.636 -17.093
  601   1HB   ASN  78          1HB       ASN  78  -0.281   1.472 -16.101
  602   2HB   ASN  78          1HB       ASN  78   0.901   0.223 -15.761
  603   1HD2  ASN  78          1HD2      ASN  78   1.356  -1.273 -17.652
  604   2HD2  ASN  78          2HD2      ASN  78   1.504  -0.520 -19.199
  605    H    ARG  79           H        ARG  79  -1.059  -2.659 -17.520
  606    HA   ARG  79           HA       ARG  79  -0.953  -4.673 -15.705
  607   1HB   ARG  79          1HB       ARG  79  -1.029  -4.546 -18.361
  608   2HB   ARG  79          1HB       ARG  79   0.669  -4.964 -18.193
  609   1HG   ARG  79          1HG       ARG  79   0.126  -7.003 -17.081
  610   2HG   ARG  79          1HG       ARG  79  -1.574  -6.549 -16.969
  611   1HD   ARG  79          1HD       ARG  79  -0.107  -6.932 -19.575
  612   2HD   ARG  79          1HD       ARG  79  -1.027  -8.202 -18.773
  613    HE   ARG  79           HE       ARG  79  -2.389  -5.699 -19.429
  614   1HH1  ARG  79          1HH1      ARG  79  -1.915  -9.104 -20.091
  615   2HH1  ARG  79          2HH1      ARG  79  -3.364  -9.244 -21.028
  616   1HH2  ARG  79          1HH2      ARG  79  -4.287  -5.897 -20.671
  617   2HH2  ARG  79          2HH2      ARG  79  -4.703  -7.431 -21.359
  618    H    SER  80           H        SER  80   1.848  -3.123 -17.200
  619    HA   SER  80           HA       SER  80   3.576  -4.577 -15.373
  620   1HB   SER  80          1HB       SER  80   5.425  -3.533 -16.791
  621   2HB   SER  80          1HB       SER  80   4.387  -4.736 -17.552
  622    HG   SER  80           HG       SER  80   4.877  -2.479 -18.558
  623    H    GLU  81           H        GLU  81   2.140  -2.728 -14.023
  624    HA   GLU  81           HA       GLU  81   4.084  -0.571 -13.465
  625   1HB   GLU  81          1HB       GLU  81   1.642  -0.116 -14.249
  626   2HB   GLU  81          1HB       GLU  81   1.230  -0.442 -12.577
  627   1HG   GLU  81          1HG       GLU  81   1.554   1.770 -12.371
  628   2HG   GLU  81          1HG       GLU  81   3.237   1.272 -12.205
  629    H    GLU  82           H        GLU  82   5.322  -1.542 -11.892
  630    HA   GLU  82           HA       GLU  82   4.228  -2.934  -9.653
  631   1HB   GLU  82          1HB       GLU  82   6.985  -1.798  -9.669
  632   2HB   GLU  82          1HB       GLU  82   6.411  -3.324  -9.023
  633   1HG   GLU  82          1HG       GLU  82   6.104  -3.222 -11.904
  634   2HG   GLU  82          1HG       GLU  82   7.768  -2.913 -11.411
  635    H    PHE  83           H        PHE  83   4.084  -2.247  -7.527
  636    HA   PHE  83           HA       PHE  83   4.422   0.646  -7.151
  637   1HB   PHE  83          1HB       PHE  83   2.002  -0.967  -6.786
  638   2HB   PHE  83          1HB       PHE  83   2.322   0.220  -5.529
  639    HD1  PHE  83          1HD       PHE  83   1.444  -0.284  -9.039
  640    HD2  PHE  83          2HD       PHE  83   2.347   2.575  -6.030
  641    HE1  PHE  83          1HE       PHE  83   0.526   1.494 -10.462
  642    HE2  PHE  83          2HE       PHE  83   1.424   4.356  -7.442
  643    HZ   PHE  83           HZ       PHE  83   0.517   3.823  -9.664
  644    H    LEU  84           H        LEU  84   3.898   1.287  -4.960
  645    HA   LEU  84           HA       LEU  84   5.394  -0.235  -2.907
  646   1HB   LEU  84          1HB       LEU  84   6.743   1.693  -3.794
  647   2HB   LEU  84          1HB       LEU  84   5.506   2.775  -3.193
  648    HG   LEU  84           HG       LEU  84   7.552   2.576  -1.761
  649   1HD1  LEU  84          1HD1      LEU  84   4.949   2.956  -1.078
  650   2HD1  LEU  84          2HD1      LEU  84   6.322   3.159   0.010
  651   3HD1  LEU  84          3HD1      LEU  84   5.416   1.647   0.009
  652   1HD2  LEU  84          1HD2      LEU  84   7.584  -0.001  -2.127
  653   2HD2  LEU  84          2HD2      LEU  84   6.466  -0.019  -0.763
  654   3HD2  LEU  84          3HD2      LEU  84   8.077   0.677  -0.573
  655    H    ILE  85           H        ILE  85   4.238  -0.565  -1.095
  656    HA   ILE  85           HA       ILE  85   1.929   1.227  -0.641
  657    HB   ILE  85           HB       ILE  85   1.937  -1.800  -0.549
  658   1HG1  ILE  85          1HG1      ILE  85  -0.147  -0.394  -2.064
  659   2HG1  ILE  85          1HG1      ILE  85   1.478  -0.025  -2.634
  660   1HG2  ILE  85          1HG2      ILE  85   0.585  -0.466   1.291
  661   2HG2  ILE  85          2HG2      ILE  85  -0.126  -1.846   0.458
  662   3HG2  ILE  85          3HG2      ILE  85  -0.540  -0.208  -0.043
  663   1HD1  ILE  85          1HD1      ILE  85   0.643  -1.860  -3.889
  664   2HD1  ILE  85          2HD1      ILE  85   0.186  -2.729  -2.424
  665   3HD1  ILE  85          3HD1      ILE  85   1.890  -2.475  -2.804
  666    H    ALA  86           H        ALA  86   2.188   2.198   1.101
  667    HA   ALA  86           HA       ALA  86   3.268   0.918   3.570
  668   1HB   ALA  86          1HB       ALA  86   2.971   3.892   3.018
  669   2HB   ALA  86          2HB       ALA  86   4.487   2.995   3.062
  670   3HB   ALA  86          3HB       ALA  86   3.535   3.189   4.533
  671    H    GLY  87           H        GLY  87   1.753   0.271   4.906
  672   1HA   GLY  87          2HA       GLY  87  -0.587   1.829   5.510
  673   2HA   GLY  87          1HA       GLY  87  -0.969   0.358   4.638
  674    H    LYS  88           H        LYS  88  -2.213   0.047   6.635
  675    HA   LYS  88           HA       LYS  88  -0.770  -1.461   8.621
  676   1HB   LYS  88          1HB       LYS  88  -2.939   0.589   9.215
  677   2HB   LYS  88          1HB       LYS  88  -2.373  -0.595  10.379
  678   1HG   LYS  88          1HG       LYS  88  -0.047   0.619   9.590
  679   2HG   LYS  88          1HG       LYS  88  -1.190   1.953   9.573
  680   1HD   LYS  88          1HD       LYS  88  -1.006   0.078  11.908
  681   2HD   LYS  88          1HD       LYS  88   0.089   1.454  11.757
  682   1HE   LYS  88          1HE       LYS  88  -1.571   2.427  12.954
  683   2HE   LYS  88          1HE       LYS  88  -2.182   2.721  11.323
  684   1HZ   LYS  88          1HZ       LYS  88  -3.766   1.089  11.519
  685   2HZ   LYS  88          2HZ       LYS  88  -3.732   1.688  13.101
  686   3HZ   LYS  88          3HZ       LYS  88  -2.931   0.246  12.726
  687    H    LEU  89           H        LEU  89  -2.540  -2.756  10.005
  688    HA   LEU  89           HA       LEU  89  -4.332  -4.039   8.065
  689   1HB   LEU  89          1HB       LEU  89  -2.870  -5.037  10.432
  690   2HB   LEU  89          1HB       LEU  89  -4.488  -5.679  10.207
  691    HG   LEU  89           HG       LEU  89  -2.264  -5.770   8.203
  692   1HD1  LEU  89          1HD1      LEU  89  -2.715  -7.373  10.436
  693   2HD1  LEU  89          2HD1      LEU  89  -1.655  -7.719   9.071
  694   3HD1  LEU  89          3HD1      LEU  89  -3.316  -8.306   9.064
  695   1HD2  LEU  89          1HD2      LEU  89  -4.980  -5.795   7.709
  696   2HD2  LEU  89          2HD2      LEU  89  -4.533  -7.501   7.732
  697   3HD2  LEU  89          3HD2      LEU  89  -3.710  -6.389   6.639
  698    H    GLN  90           H        GLN  90  -6.543  -4.537   8.541
  699    HA   GLN  90           HA       GLN  90  -7.661  -3.190  10.883
  700   1HB   GLN  90          1HB       GLN  90  -8.660  -3.134   8.033
  701   2HB   GLN  90          1HB       GLN  90  -9.586  -2.561   9.419
  702   1HG   GLN  90          1HG       GLN  90  -6.869  -1.455   9.163
  703   2HG   GLN  90          1HG       GLN  90  -8.004  -0.990   7.907
  704   1HE2  GLN  90          1HE2      GLN  90  -9.768   0.268   8.407
  705   2HE2  GLN  90          2HE2      GLN  90  -9.905   1.113   9.907
  706    H    ASP  91           H        ASP  91  -8.314  -4.930  12.121
  707    HA   ASP  91           HA       ASP  91  -9.024  -7.041  12.607
  708   1HB   ASP  91          1HB       ASP  91 -11.151  -5.661  11.036
  709   2HB   ASP  91          1HB       ASP  91 -11.423  -7.319  11.569
  710    H    GLY  92           H        GLY  92  -7.319  -7.064  10.093
  711   1HA   GLY  92          2HA       GLY  92  -6.769  -9.343   9.307
  712   2HA   GLY  92          1HA       GLY  92  -8.485  -9.577   9.051
  713    H    LEU  93           H        LEU  93  -8.133  -6.545   7.974
  714    HA   LEU  93           HA       LEU  93  -7.249  -7.438   5.305
  715   1HB   LEU  93          1HB       LEU  93  -9.575  -5.626   5.934
  716   2HB   LEU  93          1HB       LEU  93  -8.947  -5.922   4.324
  717    HG   LEU  93           HG       LEU  93 -10.881  -7.274   4.587
  718   1HD1  LEU  93          1HD1      LEU  93  -8.693  -8.258   3.619
  719   2HD1  LEU  93          2HD1      LEU  93 -10.052  -9.331   3.948
  720   3HD1  LEU  93          3HD1      LEU  93  -8.697  -9.257   5.074
  721   1HD2  LEU  93          1HD2      LEU  93  -9.730  -7.874   7.261
  722   2HD2  LEU  93          2HD2      LEU  93 -10.696  -9.117   6.471
  723   3HD2  LEU  93          3HD2      LEU  93 -11.391  -7.529   6.795
  724    H    LEU  94           H        LEU  94  -6.304  -5.912   3.930
  725    HA   LEU  94           HA       LEU  94  -4.714  -3.989   5.282
  726   1HB   LEU  94          1HB       LEU  94  -3.957  -5.256   3.278
  727   2HB   LEU  94          1HB       LEU  94  -5.076  -4.313   2.310
  728    HG   LEU  94           HG       LEU  94  -3.861  -2.270   2.821
  729   1HD1  LEU  94          1HD1      LEU  94  -1.504  -3.397   4.024
  730   2HD1  LEU  94          2HD1      LEU  94  -2.916  -3.705   5.034
  731   3HD1  LEU  94          3HD1      LEU  94  -2.508  -2.054   4.568
  732   1HD2  LEU  94          1HD2      LEU  94  -1.762  -4.261   2.061
  733   2HD2  LEU  94          2HD2      LEU  94  -2.024  -2.631   1.447
  734   3HD2  LEU  94          3HD2      LEU  94  -3.126  -3.932   0.992
  735    H    HIS  95           H        HIS  95  -4.614  -1.740   4.783
  736    HA   HIS  95           HA       HIS  95  -6.984  -0.545   3.642
  737   1HB   HIS  95          1HB       HIS  95  -6.270  -0.300   6.538
  738   2HB   HIS  95          1HB       HIS  95  -7.007   1.074   5.716
  739    HD1  HIS  95          1HD       HIS  95  -9.444   1.105   6.143
  740    HD2  HIS  95          2HD       HIS  95  -7.986  -2.778   5.897
  741    HE1  HIS  95          1HE       HIS  95 -11.438  -0.392   6.483
  742    HE2  HIS  95          2HE       HIS  95 -10.523  -2.734   6.364
  743    H    ILE  96           H        ILE  96  -6.658   1.517   2.867
  744    HA   ILE  96           HA       ILE  96  -3.942   2.604   3.216
  745    HB   ILE  96           HB       ILE  96  -4.831   3.054   0.498
  746   1HG1  ILE  96          1HG1      ILE  96  -5.815   0.783   0.791
  747   2HG1  ILE  96          1HG1      ILE  96  -4.525   0.844  -0.402
  748   1HG2  ILE  96          1HG2      ILE  96  -2.626   3.567   1.070
  749   2HG2  ILE  96          2HG2      ILE  96  -2.504   2.103   0.095
  750   3HG2  ILE  96          3HG2      ILE  96  -2.371   2.007   1.851
  751   1HD1  ILE  96          1HD1      ILE  96  -3.104   0.149   1.768
  752   2HD1  ILE  96          2HD1      ILE  96  -3.839  -1.005   0.658
  753   3HD1  ILE  96          3HD1      ILE  96  -4.660  -0.589   2.159
  754    H    THR  97           H        THR  97  -3.711   4.862   2.818
  755    HA   THR  97           HA       THR  97  -6.204   6.323   2.441
  756    HB   THR  97           HB       THR  97  -5.696   7.796   4.353
  757    HG1  THR  97          1HG       THR  97  -3.327   6.815   4.240
  758   1HG2  THR  97          1HG2      THR  97  -6.561   6.486   5.992
  759   2HG2  THR  97          2HG2      THR  97  -5.546   5.105   5.578
  760   3HG2  THR  97          3HG2      THR  97  -6.950   5.496   4.583
  761    H    THR  98           H        THR  98  -6.026   8.270   1.519
  762    HA   THR  98           HA       THR  98  -3.906   8.773  -0.210
  763    HB   THR  98           HB       THR  98  -5.007  10.914  -0.659
  764    HG1  THR  98          1HG       THR  98  -6.928  10.317   1.291
  765   1HG2  THR  98          1HG2      THR  98  -6.186   8.350  -0.848
  766   2HG2  THR  98          2HG2      THR  98  -6.434   9.757  -1.885
  767   3HG2  THR  98          3HG2      THR  98  -7.459   9.513  -0.469
  768    H    CYS  99           H        CYS  99  -3.867   9.234   3.043
  769    HA   CYS  99           HA       CYS  99  -1.683  11.182   2.772
  770   1HB   CYS  99          1HB       CYS  99  -3.578  12.148   4.049
  771   2HB   CYS  99          1HB       CYS  99  -3.324  10.932   5.279
  772    H    SER 100           H        SER 100  -1.689   8.337   2.498
  773    HA   SER 100           HA       SER 100   0.203   7.595   4.650
  774   1HB   SER 100          1HB       SER 100  -2.071   6.156   3.579
  775   2HB   SER 100          1HB       SER 100  -0.597   5.288   3.168
  776    HG   SER 100           HG       SER 100  -0.128   5.052   5.282
  777    H    PHE 101           H        PHE 101   2.139   6.409   3.775
  778    HA   PHE 101           HA       PHE 101   2.918   7.545   1.284
  779   1HB   PHE 101          1HB       PHE 101   4.448   7.044   3.208
  780   2HB   PHE 101          1HB       PHE 101   4.367   5.349   2.737
  781    HD1  PHE 101          1HD       PHE 101   4.935   4.904   0.199
  782    HD2  PHE 101          2HD       PHE 101   6.129   8.343   2.396
  783    HE1  PHE 101          1HE       PHE 101   6.751   5.303  -1.414
  784    HE2  PHE 101          2HE       PHE 101   7.945   8.751   0.790
  785    HZ   PHE 101           HZ       PHE 101   8.256   7.230  -1.121
  786    H    VAL 102           H        VAL 102   1.916   6.804  -0.562
  787    HA   VAL 102           HA       VAL 102   2.320   3.982  -1.167
  788    HB   VAL 102           HB       VAL 102  -0.401   4.993  -1.771
  789   1HG1  VAL 102          1HG1      VAL 102  -0.161   2.303  -0.748
  790   2HG1  VAL 102          2HG1      VAL 102   0.986   2.591  -2.055
  791   3HG1  VAL 102          3HG1      VAL 102  -0.733   2.861  -2.313
  792   1HG2  VAL 102          1HG2      VAL 102  -1.022   5.296   0.351
  793   2HG2  VAL 102          2HG2      VAL 102   0.556   4.791   0.949
  794   3HG2  VAL 102          3HG2      VAL 102  -0.689   3.590   0.637
  795    H    ALA 103           H        ALA 103   3.516   4.221  -2.951
  796    HA   ALA 103           HA       ALA 103   2.248   5.232  -5.356
  797   1HB   ALA 103          1HB       ALA 103   3.660   7.007  -5.846
  798   2HB   ALA 103          2HB       ALA 103   4.883   6.485  -4.687
  799   3HB   ALA 103          3HB       ALA 103   3.376   7.199  -4.116
  800    HA   PRO 104           HA       PRO 104   4.708   2.407  -7.743
  801   1HB   PRO 104          1HB       PRO 104   6.319   4.629  -8.850
  802   2HB   PRO 104          1HB       PRO 104   5.512   3.304  -9.686
  803   1HG   PRO 104          1HG       PRO 104   4.476   5.750  -9.698
  804   2HG   PRO 104          1HG       PRO 104   3.416   4.337  -9.528
  805   1HD   PRO 104          1HD       PRO 104   4.297   6.311  -7.472
  806   2HD   PRO 104          1HD       PRO 104   2.758   5.441  -7.611
  807    H    TRP 105           H        TRP 105   6.221   1.151  -6.848
  808    HA   TRP 105           HA       TRP 105   8.402   1.869  -5.341
  809   1HB   TRP 105          1HB       TRP 105   7.559  -0.429  -5.966
  810   2HB   TRP 105          1HB       TRP 105   8.326  -0.242  -7.502
  811    HD1  TRP 105           HD       TRP 105  10.415  -1.592  -7.621
  812    HE1  TRP 105          1HE       TRP 105  12.256  -2.294  -5.990
  813    HE3  TRP 105          3HE       TRP 105   8.748   0.808  -3.436
  814    HZ2  TRP 105          2HZ       TRP 105  12.923  -1.901  -3.291
  815    HZ3  TRP 105          3HZ       TRP 105  10.061   0.602  -1.359
  816    HH2  TRP 105           HH       TRP 105  12.116  -0.731  -1.305
  817    H    ASN 106           H        ASN 106   8.129   1.237  -8.703
  818    HA   ASN 106           HA       ASN 106  10.529   1.811  -9.626
  819   1HB   ASN 106          1HB       ASN 106   7.933   2.102 -11.020
  820   2HB   ASN 106          1HB       ASN 106   9.463   2.308 -11.875
  821   1HD2  ASN 106          1HD2      ASN 106   9.225   0.503 -13.158
  822   2HD2  ASN 106          2HD2      ASN 106   9.308  -1.108 -12.541
  823    H    SER 107           H        SER 107   8.568   4.114  -8.326
  824    HA   SER 107           HA       SER 107   9.929   6.326  -9.674
  825   1HB   SER 107          1HB       SER 107   7.498   6.172  -7.933
  826   2HB   SER 107          1HB       SER 107   8.330   7.716  -8.142
  827    HG   SER 107           HG       SER 107   6.626   7.271  -9.698
  828    H    LEU 108           H        LEU 108  10.686   4.387  -7.392
  829    HA   LEU 108           HA       LEU 108  11.648   6.273  -5.411
  830   1HB   LEU 108          1HB       LEU 108  11.135   3.399  -5.562
  831   2HB   LEU 108          1HB       LEU 108  12.471   3.871  -4.522
  832    HG   LEU 108           HG       LEU 108  10.714   5.551  -3.545
  833   1HD1  LEU 108          1HD1      LEU 108   8.917   3.348  -4.511
  834   2HD1  LEU 108          2HD1      LEU 108   9.005   4.937  -5.264
  835   3HD1  LEU 108          3HD1      LEU 108   8.460   4.778  -3.594
  836   1HD2  LEU 108          1HD2      LEU 108  11.091   4.227  -1.811
  837   2HD2  LEU 108          2HD2      LEU 108  11.646   2.955  -2.902
  838   3HD2  LEU 108          3HD2      LEU 108   9.944   3.048  -2.450
  839    H    SER 109           H        SER 109  13.630   5.825  -4.404
  840    HA   SER 109           HA       SER 109  15.839   6.007  -6.242
  841   1HB   SER 109          1HB       SER 109  16.181   5.628  -3.280
  842   2HB   SER 109          1HB       SER 109  17.155   6.575  -4.398
  843    HG   SER 109           HG       SER 109  15.630   8.152  -4.398
  844    H    LEU 110           H        LEU 110  17.339   4.651  -6.558
  845    HA   LEU 110           HA       LEU 110  16.719   1.899  -6.633
  846   1HB   LEU 110          1HB       LEU 110  18.859   1.661  -7.635
  847   2HB   LEU 110          1HB       LEU 110  18.177   3.167  -8.218
  848    HG   LEU 110           HG       LEU 110  20.397   3.635  -7.757
  849   1HD1  LEU 110          1HD1      LEU 110  19.975   5.566  -6.831
  850   2HD1  LEU 110          2HD1      LEU 110  19.953   4.786  -5.255
  851   3HD1  LEU 110          3HD1      LEU 110  18.470   4.920  -6.194
  852   1HD2  LEU 110          1HD2      LEU 110  21.390   1.991  -6.578
  853   2HD2  LEU 110          2HD2      LEU 110  20.016   1.843  -5.480
  854   3HD2  LEU 110          3HD2      LEU 110  21.177   3.158  -5.270
  855    H    ALA 111           H        ALA 111  18.382   4.016  -4.473
  856    HA   ALA 111           HA       ALA 111  19.526   1.920  -2.896
  857   1HB   ALA 111          1HB       ALA 111  20.233   4.496  -3.339
  858   2HB   ALA 111          2HB       ALA 111  20.791   3.546  -1.959
  859   3HB   ALA 111          3HB       ALA 111  19.413   4.636  -1.783
  860    H    GLN 112           H        GLN 112  16.713   3.978  -2.996
  861    HA   GLN 112           HA       GLN 112  15.899   3.259  -0.333
  862   1HB   GLN 112          1HB       GLN 112  15.633   5.561  -1.321
  863   2HB   GLN 112          1HB       GLN 112  14.506   4.882  -2.482
  864   1HG   GLN 112          1HG       GLN 112  12.869   4.635  -0.947
  865   2HG   GLN 112          1HG       GLN 112  14.007   4.438   0.373
  866   1HE2  GLN 112          1HE2      GLN 112  11.694   6.384  -0.698
  867   2HE2  GLN 112          2HE2      GLN 112  12.230   7.897  -0.061
  868    H    ARG 113           H        ARG 113  16.069   1.880  -3.240
  869    HA   ARG 113           HA       ARG 113  13.534   0.535  -3.242
  870   1HB   ARG 113          1HB       ARG 113  15.578   0.990  -5.099
  871   2HB   ARG 113          1HB       ARG 113  15.742  -0.720  -4.695
  872   1HG   ARG 113          1HG       ARG 113  14.238  -1.004  -6.325
  873   2HG   ARG 113          1HG       ARG 113  13.100  -0.532  -5.074
  874   1HD   ARG 113          1HD       ARG 113  12.544   1.336  -6.104
  875   2HD   ARG 113          1HD       ARG 113  14.249   1.771  -6.390
  876    HE   ARG 113           HE       ARG 113  12.539   0.133  -8.150
  877   1HH1  ARG 113          1HH1      ARG 113  15.454   1.958  -7.609
  878   2HH1  ARG 113          2HH1      ARG 113  15.919   1.949  -9.274
  879   1HH2  ARG 113          1HH2      ARG 113  13.136   0.148 -10.343
  880   2HH2  ARG 113          2HH2      ARG 113  14.600   0.938 -10.824
  881    H    ARG 114           H        ARG 114  16.944   0.169  -2.202
  882    HA   ARG 114           HA       ARG 114  16.293  -2.400  -1.062
  883   1HB   ARG 114          1HB       ARG 114  18.487  -2.560  -0.199
  884   2HB   ARG 114          1HB       ARG 114  18.650  -1.857  -1.808
  885   1HG   ARG 114          1HG       ARG 114  20.070  -0.558  -0.590
  886   2HG   ARG 114          1HG       ARG 114  18.583   0.376  -0.494
  887   1HD   ARG 114          1HD       ARG 114  18.146  -0.957   1.692
  888   2HD   ARG 114          1HD       ARG 114  19.868  -1.336   1.598
  889    HE   ARG 114           HE       ARG 114  18.739   1.107   2.452
  890   1HH1  ARG 114          1HH1      ARG 114  21.440  -0.222   0.690
  891   2HH1  ARG 114          2HH1      ARG 114  22.483   1.114   1.041
  892   1HH2  ARG 114          1HH2      ARG 114  20.112   2.849   2.930
  893   2HH2  ARG 114          2HH2      ARG 114  21.731   2.856   2.316
  894    H    GLY 115           H        GLY 115  16.867   0.897   0.072
  895   1HA   GLY 115          2HA       GLY 115  16.819   0.660   2.768
  896   2HA   GLY 115          1HA       GLY 115  16.018   1.977   1.924
  897    H    PHE 116           H        PHE 116  13.876   0.564   0.672
  898    HA   PHE 116           HA       PHE 116  12.349   0.162   3.091
  899   1HB   PHE 116          1HB       PHE 116  11.580   0.070   0.168
  900   2HB   PHE 116          1HB       PHE 116  10.445  -0.392   1.418
  901    HD1  PHE 116          1HD       PHE 116   9.180   1.195   2.490
  902    HD2  PHE 116          2HD       PHE 116  12.485   2.441   0.195
  903    HE1  PHE 116          1HE       PHE 116   8.444   3.518   2.735
  904    HE2  PHE 116          2HE       PHE 116  11.748   4.772   0.415
  905    HZ   PHE 116           HZ       PHE 116   9.733   5.312   1.676
  906    H    THR 117           H        THR 117  14.098  -1.789   1.039
  907    HA   THR 117           HA       THR 117  12.543  -4.169   1.578
  908    HB   THR 117           HB       THR 117  13.740  -3.633  -0.675
  909    HG1  THR 117          1HG       THR 117  12.959  -5.845   0.384
  910   1HG2  THR 117          1HG2      THR 117  15.948  -3.255   0.156
  911   2HG2  THR 117          2HG2      THR 117  15.930  -4.661  -0.901
  912   3HG2  THR 117          3HG2      THR 117  16.008  -4.865   0.853
  913    H    LYS 118           H        LYS 118  15.157  -2.397   2.863
  914    HA   LYS 118           HA       LYS 118  15.678  -4.630   4.701
  915   1HB   LYS 118          1HB       LYS 118  17.677  -4.957   3.792
  916   2HB   LYS 118          1HB       LYS 118  17.354  -3.680   2.634
  917   1HG   LYS 118          1HG       LYS 118  18.536  -2.114   3.825
  918   2HG   LYS 118          1HG       LYS 118  18.380  -2.989   5.352
  919   1HD   LYS 118          1HD       LYS 118  20.632  -3.251   4.655
  920   2HD   LYS 118          1HD       LYS 118  19.820  -4.787   4.349
  921   1HE   LYS 118          1HE       LYS 118  19.647  -3.001   2.072
  922   2HE   LYS 118          1HE       LYS 118  21.319  -3.309   2.537
  923   1HZ   LYS 118          1HZ       LYS 118  20.687  -4.957   0.984
  924   2HZ   LYS 118          2HZ       LYS 118  19.253  -5.303   1.811
  925   3HZ   LYS 118          3HZ       LYS 118  20.742  -5.721   2.493
  926    H    THR 119           H        THR 119  16.178  -1.269   4.084
  927    HA   THR 119           HA       THR 119  17.262  -0.718   6.705
  928    HB   THR 119           HB       THR 119  16.978   1.540   4.947
  929    HG1  THR 119          1HG       THR 119  16.825  -0.357   3.510
  930   1HG2  THR 119          1HG2      THR 119  19.130   1.849   5.539
  931   2HG2  THR 119          2HG2      THR 119  19.584   0.222   5.001
  932   3HG2  THR 119          3HG2      THR 119  18.930   0.472   6.630
  933    H    TYR 120           H        TYR 120  14.126   0.129   5.280
  934    HA   TYR 120           HA       TYR 120  14.062   2.398   7.092
  935   1HB   TYR 120          1HB       TYR 120  12.261   1.471   4.889
  936   2HB   TYR 120          1HB       TYR 120  11.948   2.880   5.872
  937    HD1  TYR 120          1HD       TYR 120  12.662   2.347   2.817
  938    HD2  TYR 120          2HD       TYR 120  14.678   4.016   6.126
  939    HE1  TYR 120          1HE       TYR 120  14.000   3.697   1.309
  940    HE2  TYR 120          2HE       TYR 120  16.035   5.408   4.619
  941    HH   TYR 120           HH       TYR 120  15.287   6.070   1.572
  942    H    THR 121           H        THR 121  13.534  -0.598   7.940
  943    HA   THR 121           HA       THR 121  10.948  -0.047   9.210
  944    HB   THR 121           HB       THR 121  10.372  -2.053   8.607
  945    HG1  THR 121          1HG       THR 121  12.299  -3.591   9.734
  946   1HG2  THR 121          1HG2      THR 121  13.015  -3.186   7.941
  947   2HG2  THR 121          2HG2      THR 121  12.468  -1.803   6.989
  948   3HG2  THR 121          3HG2      THR 121  11.483  -3.263   7.071
  949    H    VAL 122           H        VAL 122  14.025  -0.131   9.761
  950    HA   VAL 122           HA       VAL 122  13.800  -0.284  12.717
  951    HB   VAL 122           HB       VAL 122  16.397  -0.963  11.417
  952   1HG1  VAL 122          1HG1      VAL 122  15.408  -0.751  14.118
  953   2HG1  VAL 122          2HG1      VAL 122  17.060  -0.958  13.538
  954   3HG1  VAL 122          3HG1      VAL 122  16.040  -2.369  13.807
  955   1HG2  VAL 122          1HG2      VAL 122  15.556  -2.860  10.629
  956   2HG2  VAL 122          2HG2      VAL 122  13.990  -2.545  11.373
  957   3HG2  VAL 122          3HG2      VAL 122  15.258  -3.357  12.294
  958    H    GLY 123           H        GLY 123  15.214   1.377   9.995
  959   1HA   GLY 123          2HA       GLY 123  16.002   3.531  11.822
  960   2HA   GLY 123          1HA       GLY 123  17.133   2.928  10.611
  961    H    CYS 124           H        CYS 124  13.695   3.152  10.170
  962    HA   CYS 124           HA       CYS 124  13.666   4.068   7.693
  963   1HB   CYS 124          1HB       CYS 124  11.405   5.117   8.298
  964   2HB   CYS 124          1HB       CYS 124  11.675   3.407   8.498
  965    H    GLU 125           H        GLU 125  15.047   5.514   7.075
  966    HA   GLU 125           HA       GLU 125  14.561   8.310   7.855
  967   1HB   GLU 125          1HB       GLU 125  17.098   8.462   7.109
  968   2HB   GLU 125          1HB       GLU 125  16.656   8.004   8.750
  969   1HG   GLU 125          1HG       GLU 125  16.685   5.576   7.785
  970   2HG   GLU 125          1HG       GLU 125  17.694   6.313   6.528
  971    H    GLU 126           H        GLU 126  13.246   8.775   6.100
  972    HA   GLU 126           HA       GLU 126  13.476   7.989   3.485
  973   1HB   GLU 126          1HB       GLU 126  12.388  10.167   2.903
  974   2HB   GLU 126          1HB       GLU 126  11.614   9.285   4.207
  975   1HG   GLU 126          1HG       GLU 126  13.308  10.844   5.600
  976   2HG   GLU 126          1HG       GLU 126  12.919  11.893   4.235
  Start of MODEL   10
    1   1H    CYS   1          1HT       CYS   1  -8.254  12.558   6.208
    2   2H    CYS   1          2HT       CYS   1  -9.381  12.426   4.923
    3   3H    CYS   1          3HT       CYS   1  -7.984  13.404   4.748
    4    HA   CYS   1           HA       CYS   1  -7.004  10.976   5.439
    5   1HB   CYS   1          1HB       CYS   1  -9.602  10.671   4.256
    6   2HB   CYS   1          1HB       CYS   1  -8.379  10.033   3.184
    7    H    THR   2           H        THR   2  -7.761  13.402   3.078
    8    HA   THR   2           HA       THR   2  -5.790  12.302   1.260
    9    HB   THR   2           HB       THR   2  -6.551  13.931  -0.353
   10    HG1  THR   2          1HG       THR   2  -8.541  15.168   0.723
   11   1HG2  THR   2          1HG2      THR   2  -9.213  13.544   0.157
   12   2HG2  THR   2          2HG2      THR   2  -8.451  12.186   0.986
   13   3HG2  THR   2          3HG2      THR   2  -8.159  12.448  -0.733
   14    H    CYS   3           H        CYS   3  -3.862  12.702   2.456
   15    HA   CYS   3           HA       CYS   3  -3.134  15.543   2.760
   16   1HB   CYS   3          1HB       CYS   3  -1.700  13.135   3.901
   17   2HB   CYS   3          1HB       CYS   3  -1.353  14.818   4.248
   18    H    VAL   4           H        VAL   4  -0.521  15.568   2.648
   19    HA   VAL   4           HA       VAL   4   0.123  14.732  -0.086
   20    HB   VAL   4           HB       VAL   4   0.553  17.031   0.185
   21   1HG1  VAL   4          1HG1      VAL   4   0.978  18.041   2.119
   22   2HG1  VAL   4          2HG1      VAL   4   2.435  17.083   2.376
   23   3HG1  VAL   4          3HG1      VAL   4   0.871  16.458   2.884
   24   1HG2  VAL   4          1HG2      VAL   4   3.053  15.411   0.332
   25   2HG2  VAL   4          2HG2      VAL   4   3.141  17.170   0.311
   26   3HG2  VAL   4          3HG2      VAL   4   2.371  16.313  -1.022
   27    HA   PRO   5           HA       PRO   5   2.604  11.262   0.984
   28   1HB   PRO   5          1HB       PRO   5   4.809  12.836  -0.321
   29   2HB   PRO   5          1HB       PRO   5   4.443  11.108  -0.452
   30   1HG   PRO   5          1HG       PRO   5   3.641  12.738  -2.368
   31   2HG   PRO   5          1HG       PRO   5   2.540  11.482  -1.766
   32   1HD   PRO   5          1HD       PRO   5   2.504  14.414  -1.293
   33   2HD   PRO   5          1HD       PRO   5   1.145  13.288  -1.379
   34    HA   PRO   6           HA       PRO   6   4.516  13.097   4.673
   35   1HB   PRO   6          1HB       PRO   6   3.548  11.021   6.268
   36   2HB   PRO   6          1HB       PRO   6   2.781  12.589   6.022
   37   1HG   PRO   6          1HG       PRO   6   1.807  10.077   5.188
   38   2HG   PRO   6          1HG       PRO   6   1.166  11.665   4.743
   39   1HD   PRO   6          1HD       PRO   6   2.955   9.848   3.215
   40   2HD   PRO   6          1HD       PRO   6   1.754  11.019   2.630
   41    H    HIS   7           H        HIS   7   6.444  12.694   5.689
   42    HA   HIS   7           HA       HIS   7   8.391  11.273   4.804
   43   1HB   HIS   7          1HB       HIS   7   7.732  11.342   7.748
   44   2HB   HIS   7          1HB       HIS   7   9.327  11.075   7.049
   45    HD1  HIS   7          1HD       HIS   7   7.705  13.614   8.708
   46    HD2  HIS   7          2HD       HIS   7   9.701  13.501   5.066
   47    HE1  HIS   7          1HE       HIS   7   8.338  15.997   8.215
   48    HE2  HIS   7          2HE       HIS   7   9.451  15.916   5.956
   49    HA   PRO   8           HA       PRO   8   7.292   6.977   4.709
   50   1HB   PRO   8          1HB       PRO   8   9.651   6.081   3.808
   51   2HB   PRO   8          1HB       PRO   8   8.539   6.958   2.743
   52   1HG   PRO   8          1HG       PRO   8  10.832   8.017   4.337
   53   2HG   PRO   8          1HG       PRO   8  10.526   8.234   2.603
   54   1HD   PRO   8          1HD       PRO   8   9.861  10.133   4.354
   55   2HD   PRO   8          1HD       PRO   8   8.761   9.728   3.013
   56    H    GLN   9           H        GLN   9   9.721   8.623   6.514
   57    HA   GLN   9           HA       GLN   9  10.778   6.424   7.938
   58   1HB   GLN   9          1HB       GLN   9  11.547   8.130   9.523
   59   2HB   GLN   9          1HB       GLN   9  11.877   8.646   7.882
   60   1HG   GLN   9          1HG       GLN   9  10.850  10.545   8.294
   61   2HG   GLN   9          1HG       GLN   9   9.347   9.662   8.539
   62   1HE2  GLN   9          1HE2      GLN   9   8.723   9.108  10.649
   63   2HE2  GLN   9          2HE2      GLN   9   9.380   9.915  12.027
   64    H    THR  10           H        THR  10   7.921   8.463   8.132
   65    HA   THR  10           HA       THR  10   7.127   7.333  10.659
   66    HB   THR  10           HB       THR  10   6.555   9.731   9.039
   67    HG1  THR  10          1HG       THR  10   6.351  10.636  11.106
   68   1HG2  THR  10          1HG2      THR  10   4.380   9.678  10.789
   69   2HG2  THR  10          2HG2      THR  10   4.298   8.193   9.844
   70   3HG2  THR  10          3HG2      THR  10   4.366   9.758   9.024
   71    H    ALA  11           H        ALA  11   6.196   7.607   7.202
   72    HA   ALA  11           HA       ALA  11   3.792   6.206   7.293
   73   1HB   ALA  11          1HB       ALA  11   3.866   6.259   5.015
   74   2HB   ALA  11          2HB       ALA  11   5.609   5.994   4.953
   75   3HB   ALA  11          3HB       ALA  11   4.972   7.572   5.421
   76    H    PHE  12           H        PHE  12   7.139   5.034   6.953
   77    HA   PHE  12           HA       PHE  12   6.363   2.330   6.455
   78   1HB   PHE  12          1HB       PHE  12   8.699   3.584   6.130
   79   2HB   PHE  12          1HB       PHE  12   9.000   2.899   7.723
   80    HD1  PHE  12          1HD       PHE  12   9.899   0.784   7.857
   81    HD2  PHE  12          2HD       PHE  12   7.740   1.882   4.357
   82    HE1  PHE  12          1HE       PHE  12  10.489  -1.364   6.815
   83    HE2  PHE  12          2HE       PHE  12   8.335  -0.269   3.317
   84    HZ   PHE  12           HZ       PHE  12   9.706  -1.894   4.548
   85    H    CYS  13           H        CYS  13   8.047   3.686   9.273
   86    HA   CYS  13           HA       CYS  13   7.663   1.546  10.939
   87   1HB   CYS  13          1HB       CYS  13   8.796   4.179  11.035
   88   2HB   CYS  13          1HB       CYS  13   7.987   3.805  12.553
   89    H    ASN  14           H        ASN  14   5.229   4.099  10.339
   90    HA   ASN  14           HA       ASN  14   4.085   3.407  12.912
   91   1HB   ASN  14          1HB       ASN  14   3.923   5.696  11.075
   92   2HB   ASN  14          1HB       ASN  14   2.357   5.178  11.688
   93   1HD2  ASN  14          1HD2      ASN  14   4.457   7.440  12.183
   94   2HD2  ASN  14          2HD2      ASN  14   4.442   7.584  13.905
   95    H    SER  15           H        SER  15   3.791   2.774   9.512
   96    HA   SER  15           HA       SER  15   1.160   2.095   9.315
   97   1HB   SER  15          1HB       SER  15   3.496   2.108   7.736
   98   2HB   SER  15          1HB       SER  15   2.791   0.521   7.562
   99    HG   SER  15           HG       SER  15   1.707   3.040   6.936
  100    H    ASP  16           H        ASP  16   0.956  -0.090   8.358
  101    HA   ASP  16           HA       ASP  16   1.794  -2.224  10.085
  102   1HB   ASP  16          1HB       ASP  16  -0.953  -1.331  10.073
  103   2HB   ASP  16          1HB       ASP  16  -0.745  -3.075  10.008
  104    H    LEU  17           H        LEU  17   1.525  -1.261   7.151
  105    HA   LEU  17           HA       LEU  17   2.075  -3.839   6.170
  106   1HB   LEU  17          1HB       LEU  17  -0.667  -2.885   5.764
  107   2HB   LEU  17          1HB       LEU  17   0.138  -3.431   4.303
  108    HG   LEU  17           HG       LEU  17  -0.349  -5.020   6.811
  109   1HD1  LEU  17          1HD1      LEU  17  -1.299  -5.313   3.978
  110   2HD1  LEU  17          2HD1      LEU  17  -2.269  -4.876   5.377
  111   3HD1  LEU  17          3HD1      LEU  17  -1.576  -6.492   5.255
  112   1HD2  LEU  17          1HD2      LEU  17   1.333  -5.690   4.406
  113   2HD2  LEU  17          2HD2      LEU  17   0.737  -6.892   5.552
  114   3HD2  LEU  17          3HD2      LEU  17   1.837  -5.628   6.094
  115    H    VAL  18           H        VAL  18   3.708  -3.482   4.949
  116    HA   VAL  18           HA       VAL  18   3.550  -1.318   2.994
  117    HB   VAL  18           HB       VAL  18   6.151  -1.928   4.365
  118   1HG1  VAL  18          1HG1      VAL  18   6.240   0.664   3.650
  119   2HG1  VAL  18          2HG1      VAL  18   5.110   0.052   2.442
  120   3HG1  VAL  18          3HG1      VAL  18   6.714  -0.662   2.586
  121   1HG2  VAL  18          1HG2      VAL  18   4.707   0.505   5.224
  122   2HG2  VAL  18          2HG2      VAL  18   5.783  -0.556   6.131
  123   3HG2  VAL  18          3HG2      VAL  18   4.106  -1.021   5.869
  124    H    ILE  19           H        ILE  19   3.772  -2.200   1.045
  125    HA   ILE  19           HA       ILE  19   5.758  -4.264   0.612
  126    HB   ILE  19           HB       ILE  19   4.200  -5.870  -0.308
  127   1HG1  ILE  19          1HG1      ILE  19   2.509  -4.188  -1.079
  128   2HG1  ILE  19          1HG1      ILE  19   1.810  -5.594  -0.286
  129   1HG2  ILE  19          1HG2      ILE  19   4.615  -5.576   2.285
  130   2HG2  ILE  19          2HG2      ILE  19   3.541  -6.806   1.640
  131   3HG2  ILE  19          3HG2      ILE  19   2.875  -5.307   2.282
  132   1HD1  ILE  19          1HD1      ILE  19   0.620  -3.749   0.522
  133   2HD1  ILE  19          2HD1      ILE  19   2.085  -2.806   0.777
  134   3HD1  ILE  19          3HD1      ILE  19   1.735  -4.183   1.817
  135    H    ARG  20           H        ARG  20   6.061  -4.784  -1.545
  136    HA   ARG  20           HA       ARG  20   5.224  -2.683  -3.380
  137   1HB   ARG  20          1HB       ARG  20   7.077  -3.121  -4.736
  138   2HB   ARG  20          1HB       ARG  20   7.706  -3.321  -3.110
  139   1HG   ARG  20          1HG       ARG  20   8.366  -5.361  -3.580
  140   2HG   ARG  20          1HG       ARG  20   6.738  -5.824  -4.054
  141   1HD   ARG  20          1HD       ARG  20   7.118  -5.306  -6.296
  142   2HD   ARG  20          1HD       ARG  20   8.494  -4.275  -5.917
  143    HE   ARG  20           HE       ARG  20   9.294  -6.745  -5.116
  144   1HH1  ARG  20          1HH1      ARG  20   8.043  -5.459  -8.108
  145   2HH1  ARG  20          2HH1      ARG  20   8.903  -6.588  -9.099
  146   1HH2  ARG  20          1HH2      ARG  20  10.426  -8.230  -6.415
  147   2HH2  ARG  20          2HH2      ARG  20  10.257  -8.163  -8.137
  148    H    ALA  21           H        ALA  21   4.025  -3.065  -4.980
  149    HA   ALA  21           HA       ALA  21   3.248  -5.788  -5.757
  150   1HB   ALA  21          1HB       ALA  21   1.264  -3.911  -4.520
  151   2HB   ALA  21          2HB       ALA  21   1.820  -5.460  -3.891
  152   3HB   ALA  21          3HB       ALA  21   0.839  -5.404  -5.353
  153    H    LYS  22           H        LYS  22   1.439  -5.873  -7.182
  154    HA   LYS  22           HA       LYS  22   1.396  -3.769  -9.233
  155   1HB   LYS  22          1HB       LYS  22   1.890  -6.665  -9.431
  156   2HB   LYS  22          1HB       LYS  22   0.751  -6.043 -10.611
  157   1HG   LYS  22          1HG       LYS  22   2.383  -4.857 -11.698
  158   2HG   LYS  22          1HG       LYS  22   3.318  -4.593 -10.225
  159   1HD   LYS  22          1HD       LYS  22   3.162  -7.402 -10.916
  160   2HD   LYS  22          1HD       LYS  22   3.855  -6.442 -12.224
  161   1HE   LYS  22          1HE       LYS  22   5.356  -5.397 -10.470
  162   2HE   LYS  22          1HE       LYS  22   4.803  -6.667  -9.380
  163   1HZ   LYS  22          1HZ       LYS  22   5.929  -7.337 -12.023
  164   2HZ   LYS  22          2HZ       LYS  22   5.824  -8.301 -10.637
  165   3HZ   LYS  22          3HZ       LYS  22   6.946  -7.038 -10.704
  166    H    PHE  23           H        PHE  23  -0.686  -3.306 -10.072
  167    HA   PHE  23           HA       PHE  23  -2.881  -4.434  -8.467
  168   1HB   PHE  23          1HB       PHE  23  -2.815  -2.014 -10.297
  169   2HB   PHE  23          1HB       PHE  23  -4.255  -2.588  -9.461
  170    HD1  PHE  23          1HD       PHE  23  -4.779  -1.700  -7.397
  171    HD2  PHE  23          2HD       PHE  23  -0.749  -1.527  -8.760
  172    HE1  PHE  23          1HE       PHE  23  -4.178  -0.339  -5.437
  173    HE2  PHE  23          2HE       PHE  23  -0.142  -0.165  -6.801
  174    HZ   PHE  23           HZ       PHE  23  -1.858   0.431  -5.138
  175    H    VAL  24           H        VAL  24  -3.923  -5.967  -9.103
  176    HA   VAL  24           HA       VAL  24  -4.275  -6.466 -11.960
  177    HB   VAL  24           HB       VAL  24  -4.000  -8.836 -11.367
  178   1HG1  VAL  24          1HG1      VAL  24  -1.677  -8.823 -11.460
  179   2HG1  VAL  24          2HG1      VAL  24  -1.580  -7.345 -10.501
  180   3HG1  VAL  24          3HG1      VAL  24  -2.157  -7.279 -12.165
  181   1HG2  VAL  24          1HG2      VAL  24  -3.528  -7.713  -8.666
  182   2HG2  VAL  24          2HG2      VAL  24  -2.756  -9.222  -9.146
  183   3HG2  VAL  24          3HG2      VAL  24  -4.513  -9.092  -9.139
  184    H    GLY  25           H        GLY  25  -6.170  -5.141 -10.376
  185   1HA   GLY  25          2HA       GLY  25  -8.471  -6.692 -10.896
  186   2HA   GLY  25          1HA       GLY  25  -8.192  -6.582  -9.168
  187    H    THR  26           H        THR  26 -10.484  -5.425 -10.249
  188    HA   THR  26           HA       THR  26  -9.866  -2.585 -10.506
  189    HB   THR  26           HB       THR  26 -12.669  -3.186 -10.734
  190    HG1  THR  26          1HG       THR  26 -11.094  -4.639 -12.569
  191   1HG2  THR  26          1HG2      THR  26 -11.462  -2.750 -13.268
  192   2HG2  THR  26          2HG2      THR  26 -10.724  -1.664 -12.092
  193   3HG2  THR  26          3HG2      THR  26 -12.472  -1.663 -12.317
  194    HA   PRO  27           HA       PRO  27 -11.449  -1.449  -6.561
  195   1HB   PRO  27          1HB       PRO  27 -12.407   1.025  -7.036
  196   2HB   PRO  27          1HB       PRO  27 -10.683   0.653  -7.058
  197   1HG   PRO  27          1HG       PRO  27 -12.561   1.072  -9.326
  198   2HG   PRO  27          1HG       PRO  27 -10.851   1.509  -9.187
  199   1HD   PRO  27          1HD       PRO  27 -11.840  -0.703 -10.539
  200   2HD   PRO  27          1HD       PRO  27 -10.169  -0.504  -9.989
  201    H    GLU  28           H        GLU  28 -13.131  -2.514  -5.760
  202    HA   GLU  28           HA       GLU  28 -15.730  -2.486  -7.007
  203   1HB   GLU  28          1HB       GLU  28 -16.498  -3.777  -5.107
  204   2HB   GLU  28          1HB       GLU  28 -14.947  -4.416  -5.635
  205   1HG   GLU  28          1HG       GLU  28 -13.888  -3.788  -3.747
  206   2HG   GLU  28          1HG       GLU  28 -14.891  -2.358  -3.523
  207    H    VAL  29           H        VAL  29 -17.677  -1.697  -5.683
  208    HA   VAL  29           HA       VAL  29 -17.001   0.430  -3.847
  209    HB   VAL  29           HB       VAL  29 -18.756   1.391  -6.038
  210   1HG1  VAL  29          1HG1      VAL  29 -18.876   2.742  -4.145
  211   2HG1  VAL  29          2HG1      VAL  29 -17.748   3.579  -5.212
  212   3HG1  VAL  29          3HG1      VAL  29 -17.142   2.638  -3.850
  213   1HG2  VAL  29          1HG2      VAL  29 -17.071   1.431  -7.506
  214   2HG2  VAL  29          2HG2      VAL  29 -15.918   0.890  -6.295
  215   3HG2  VAL  29          3HG2      VAL  29 -16.282   2.600  -6.451
  216    H    ASN  30           H        ASN  30 -18.333  -0.664  -2.238
  217    HA   ASN  30           HA       ASN  30 -21.115  -1.024  -2.901
  218   1HB   ASN  30          1HB       ASN  30 -19.647  -2.163  -0.965
  219   2HB   ASN  30          1HB       ASN  30 -20.375  -0.853  -0.033
  220   1HD2  ASN  30          1HD2      ASN  30 -22.507  -0.994   0.553
  221   2HD2  ASN  30          2HD2      ASN  30 -23.545  -2.295   0.111
  222    H    GLN  31           H        GLN  31 -22.834   0.095  -1.904
  223    HA   GLN  31           HA       GLN  31 -22.352   2.976  -1.814
  224   1HB   GLN  31          1HB       GLN  31 -24.939   1.422  -1.628
  225   2HB   GLN  31          1HB       GLN  31 -24.824   3.178  -1.690
  226   1HG   GLN  31          1HG       GLN  31 -23.738   1.415  -3.850
  227   2HG   GLN  31          1HG       GLN  31 -25.407   1.978  -3.835
  228   1HE2  GLN  31          1HE2      GLN  31 -22.052   3.021  -3.911
  229   2HE2  GLN  31          2HE2      GLN  31 -22.345   4.548  -4.665
  230    H    THR  32           H        THR  32 -22.357   0.446   0.300
  231    HA   THR  32           HA       THR  32 -22.857   2.217   2.570
  232    HB   THR  32           HB       THR  32 -24.359  -0.084   1.534
  233    HG1  THR  32          1HG       THR  32 -25.850   1.285   1.865
  234   1HG2  THR  32          1HG2      THR  32 -24.209   0.105   4.527
  235   2HG2  THR  32          2HG2      THR  32 -23.370  -1.123   3.576
  236   3HG2  THR  32          3HG2      THR  32 -25.128  -1.032   3.541
  237    H    THR  33           H        THR  33 -20.427   0.977   1.347
  238    HA   THR  33           HA       THR  33 -19.600  -0.940   3.363
  239    HB   THR  33           HB       THR  33 -18.430  -1.518   1.504
  240    HG1  THR  33          1HG       THR  33 -16.394  -0.894   1.676
  241   1HG2  THR  33          1HG2      THR  33 -19.360   0.802   0.336
  242   2HG2  THR  33          2HG2      THR  33 -18.355  -0.401  -0.450
  243   3HG2  THR  33          3HG2      THR  33 -17.617   0.994   0.320
  244    H    LEU  34           H        LEU  34 -18.835   2.243   2.060
  245    HA   LEU  34           HA       LEU  34 -18.058   4.081   3.291
  246   1HB   LEU  34          1HB       LEU  34 -17.786   2.015   5.381
  247   2HB   LEU  34          1HB       LEU  34 -16.569   3.238   5.366
  248    HG   LEU  34           HG       LEU  34 -19.531   3.633   5.651
  249   1HD1  LEU  34          1HD1      LEU  34 -19.154   3.428   7.828
  250   2HD1  LEU  34          2HD1      LEU  34 -18.044   4.796   7.756
  251   3HD1  LEU  34          3HD1      LEU  34 -17.439   3.155   7.529
  252   1HD2  LEU  34          1HD2      LEU  34 -19.307   5.766   5.071
  253   2HD2  LEU  34          2HD2      LEU  34 -17.674   5.392   4.503
  254   3HD2  LEU  34          3HD2      LEU  34 -17.932   5.974   6.155
  255    H    TYR  35           H        TYR  35 -16.686   1.107   2.445
  256    HA   TYR  35           HA       TYR  35 -14.219   2.355   1.549
  257   1HB   TYR  35          1HB       TYR  35 -13.088   0.117   2.301
  258   2HB   TYR  35          1HB       TYR  35 -13.294   1.450   3.413
  259    HD1  TYR  35          1HD       TYR  35 -14.277  -1.944   2.633
  260    HD2  TYR  35          2HD       TYR  35 -14.959   1.428   5.115
  261    HE1  TYR  35          1HE       TYR  35 -15.516  -3.364   4.215
  262    HE2  TYR  35          2HE       TYR  35 -16.183   0.050   6.691
  263    HH   TYR  35           HH       TYR  35 -17.024  -3.279   5.965
  264    H    GLN  36           H        GLN  36 -12.935   1.026   0.134
  265    HA   GLN  36           HA       GLN  36 -14.644  -0.715  -1.488
  266   1HB   GLN  36          1HB       GLN  36 -12.666   1.396  -2.295
  267   2HB   GLN  36          1HB       GLN  36 -13.434   0.281  -3.433
  268   1HG   GLN  36          1HG       GLN  36 -15.302   1.492  -3.470
  269   2HG   GLN  36          1HG       GLN  36 -15.334   1.607  -1.706
  270   1HE2  GLN  36          1HE2      GLN  36 -15.468   3.465  -4.266
  271   2HE2  GLN  36          2HE2      GLN  36 -14.600   4.850  -3.719
  272    H    ARG  37           H        ARG  37 -13.230  -2.069  -3.044
  273    HA   ARG  37           HA       ARG  37 -10.782  -2.932  -1.672
  274   1HB   ARG  37          1HB       ARG  37 -12.880  -4.800  -2.779
  275   2HB   ARG  37          1HB       ARG  37 -11.379  -5.265  -2.000
  276   1HG   ARG  37          1HG       ARG  37 -12.375  -3.831  -0.018
  277   2HG   ARG  37          1HG       ARG  37 -13.897  -4.240  -0.816
  278   1HD   ARG  37          1HD       ARG  37 -11.821  -6.103   0.298
  279   2HD   ARG  37          1HD       ARG  37 -13.504  -5.936   0.792
  280    HE   ARG  37           HE       ARG  37 -12.478  -7.504  -1.377
  281   1HH1  ARG  37          1HH1      ARG  37 -15.275  -5.776  -0.208
  282   2HH1  ARG  37          2HH1      ARG  37 -16.397  -6.717  -1.131
  283   1HH2  ARG  37          1HH2      ARG  37 -13.954  -8.743  -2.591
  284   2HH2  ARG  37          2HH2      ARG  37 -15.649  -8.401  -2.482
  285    H    TYR  38           H        TYR  38  -9.126  -3.222  -2.888
  286    HA   TYR  38           HA       TYR  38  -9.421  -3.390  -5.834
  287   1HB   TYR  38          1HB       TYR  38  -7.600  -1.880  -4.082
  288   2HB   TYR  38          1HB       TYR  38  -6.778  -2.733  -5.370
  289    HD1  TYR  38          1HD       TYR  38  -8.057   0.305  -4.419
  290    HD2  TYR  38          2HD       TYR  38  -8.030  -2.320  -7.768
  291    HE1  TYR  38          1HE       TYR  38  -8.423   2.223  -5.908
  292    HE2  TYR  38          2HE       TYR  38  -8.409  -0.408  -9.269
  293    HH   TYR  38           HH       TYR  38  -7.956   2.118  -9.182
  294    H    GLU  39           H        GLU  39  -8.212  -5.027  -6.887
  295    HA   GLU  39           HA       GLU  39  -7.010  -7.019  -5.099
  296   1HB   GLU  39          1HB       GLU  39  -7.572  -7.355  -8.044
  297   2HB   GLU  39          1HB       GLU  39  -7.301  -8.610  -6.857
  298   1HG   GLU  39          1HG       GLU  39  -9.576  -8.726  -7.163
  299   2HG   GLU  39          1HG       GLU  39  -9.448  -7.679  -5.755
  300    H    ILE  40           H        ILE  40  -4.795  -7.450  -5.228
  301    HA   ILE  40           HA       ILE  40  -3.409  -6.095  -7.432
  302    HB   ILE  40           HB       ILE  40  -1.692  -5.416  -5.587
  303   1HG1  ILE  40          1HG1      ILE  40  -4.023  -4.996  -3.825
  304   2HG1  ILE  40          1HG1      ILE  40  -3.458  -6.660  -3.940
  305   1HG2  ILE  40          1HG2      ILE  40  -3.906  -4.133  -6.835
  306   2HG2  ILE  40          2HG2      ILE  40  -2.384  -3.425  -6.291
  307   3HG2  ILE  40          3HG2      ILE  40  -3.758  -3.517  -5.191
  308   1HD1  ILE  40          1HD1      ILE  40  -1.422  -6.170  -2.983
  309   2HD1  ILE  40          2HD1      ILE  40  -2.515  -5.100  -2.105
  310   3HD1  ILE  40          3HD1      ILE  40  -1.514  -4.461  -3.408
  311    H    LYS  41           H        LYS  41  -1.757  -7.082  -8.231
  312    HA   LYS  41           HA       LYS  41  -0.972  -9.650  -7.311
  313   1HB   LYS  41          1HB       LYS  41  -0.956  -8.945  -9.711
  314   2HB   LYS  41          1HB       LYS  41   0.467  -7.980  -9.357
  315   1HG   LYS  41          1HG       LYS  41   1.249  -9.992 -10.286
  316   2HG   LYS  41          1HG       LYS  41   1.542 -10.120  -8.551
  317   1HD   LYS  41          1HD       LYS  41  -1.051 -11.138  -9.561
  318   2HD   LYS  41          1HD       LYS  41   0.390 -12.069  -9.972
  319   1HE   LYS  41          1HE       LYS  41   0.856 -11.665  -7.365
  320   2HE   LYS  41          1HE       LYS  41  -0.906 -11.623  -7.351
  321   1HZ   LYS  41          1HZ       LYS  41  -0.783 -13.782  -8.625
  322   2HZ   LYS  41          2HZ       LYS  41  -0.316 -13.849  -7.001
  323   3HZ   LYS  41          3HZ       LYS  41   0.859 -13.835  -8.218
  324    H    MET  42           H        MET  42  -0.302  -9.183  -5.195
  325    HA   MET  42           HA       MET  42   1.647  -7.327  -4.452
  326   1HB   MET  42          1HB       MET  42   0.130  -8.640  -2.904
  327   2HB   MET  42          1HB       MET  42   1.225 -10.000  -3.112
  328   1HG   MET  42          1HG       MET  42   2.741  -7.685  -2.426
  329   2HG   MET  42          1HG       MET  42   1.412  -7.864  -1.283
  330   1HE   MET  42          1HE       MET  42   0.895  -9.522   0.051
  331   2HE   MET  42          2HE       MET  42   2.279  -9.627   1.138
  332   3HE   MET  42          3HE       MET  42   1.691 -11.072   0.317
  333    H    THR  43           H        THR  43   3.825  -7.260  -4.691
  334    HA   THR  43           HA       THR  43   4.989  -9.470  -6.109
  335    HB   THR  43           HB       THR  43   6.891  -7.406  -5.527
  336    HG1  THR  43          1HG       THR  43   4.612  -6.446  -6.887
  337   1HG2  THR  43          1HG2      THR  43   5.659  -8.631  -7.931
  338   2HG2  THR  43          2HG2      THR  43   7.354  -8.499  -7.467
  339   3HG2  THR  43          3HG2      THR  43   6.505  -7.094  -8.108
  340    H    LYS  44           H        LYS  44   6.075  -7.445  -3.373
  341    HA   LYS  44           HA       LYS  44   6.885  -9.757  -1.838
  342   1HB   LYS  44          1HB       LYS  44   8.765  -7.772  -3.054
  343   2HB   LYS  44          1HB       LYS  44   9.082  -8.297  -1.408
  344   1HG   LYS  44          1HG       LYS  44   8.776 -10.687  -2.516
  345   2HG   LYS  44          1HG       LYS  44   9.285  -9.791  -3.951
  346   1HD   LYS  44          1HD       LYS  44  10.782  -9.676  -1.342
  347   2HD   LYS  44          1HD       LYS  44  11.131 -10.873  -2.589
  348   1HE   LYS  44          1HE       LYS  44  12.628  -9.258  -3.186
  349   2HE   LYS  44          1HE       LYS  44  11.235  -8.721  -4.122
  350   1HZ   LYS  44          1HZ       LYS  44  10.905  -6.936  -2.780
  351   2HZ   LYS  44          2HZ       LYS  44  12.576  -7.091  -2.575
  352   3HZ   LYS  44          3HZ       LYS  44  11.521  -7.694  -1.399
  353    H    MET  45           H        MET  45   6.749  -9.260   0.374
  354    HA   MET  45           HA       MET  45   5.563  -6.677   1.003
  355   1HB   MET  45          1HB       MET  45   4.939  -7.666   3.142
  356   2HB   MET  45          1HB       MET  45   4.467  -8.735   1.830
  357   1HG   MET  45          1HG       MET  45   7.063  -9.119   3.265
  358   2HG   MET  45          1HG       MET  45   5.556  -9.734   3.936
  359   1HE   MET  45          1HE       MET  45   4.071 -10.724   0.950
  360   2HE   MET  45          2HE       MET  45   3.934 -11.206   2.638
  361   3HE   MET  45          3HE       MET  45   4.409 -12.387   1.421
  362    H    TYR  46           H        TYR  46   6.512  -5.128   2.453
  363    HA   TYR  46           HA       TYR  46   9.290  -5.712   3.229
  364   1HB   TYR  46          1HB       TYR  46   8.095  -3.008   2.586
  365   2HB   TYR  46          1HB       TYR  46   9.769  -3.338   2.988
  366    HD1  TYR  46          1HD       TYR  46   7.464  -4.977   0.541
  367    HD2  TYR  46          2HD       TYR  46  11.048  -2.773   1.148
  368    HE1  TYR  46          1HE       TYR  46   7.975  -5.150  -1.839
  369    HE2  TYR  46          2HE       TYR  46  11.571  -2.948  -1.237
  370    HH   TYR  46           HH       TYR  46  10.400  -5.045  -3.226
  371    H    LYS  47           H        LYS  47   6.490  -5.790   4.639
  372    HA   LYS  47           HA       LYS  47   7.236  -5.408   7.222
  373   1HB   LYS  47          1HB       LYS  47   7.294  -2.916   6.391
  374   2HB   LYS  47          1HB       LYS  47   5.544  -3.027   6.550
  375   1HG   LYS  47          1HG       LYS  47   6.822  -4.099   8.887
  376   2HG   LYS  47          1HG       LYS  47   7.405  -2.467   8.561
  377   1HD   LYS  47          1HD       LYS  47   4.606  -2.448   8.159
  378   2HD   LYS  47          1HD       LYS  47   4.907  -3.302   9.673
  379   1HE   LYS  47          1HE       LYS  47   6.275  -0.705   9.090
  380   2HE   LYS  47          1HE       LYS  47   4.621  -0.727   9.701
  381   1HZ   LYS  47          1HZ       LYS  47   5.355  -1.940  11.628
  382   2HZ   LYS  47          2HZ       LYS  47   6.287  -0.536  11.471
  383   3HZ   LYS  47          3HZ       LYS  47   6.934  -2.035  11.027
  384    H    GLY  48           H        GLY  48   5.857  -6.825   8.073
  385   1HA   GLY  48          2HA       GLY  48   3.286  -6.725   8.643
  386   2HA   GLY  48          1HA       GLY  48   3.190  -7.097   6.926
  387    H    PHE  49           H        PHE  49   5.948  -8.550   7.727
  388    HA   PHE  49           HA       PHE  49   5.200 -11.111   7.411
  389   1HB   PHE  49          1HB       PHE  49   7.472  -9.852   8.881
  390   2HB   PHE  49          1HB       PHE  49   7.263 -11.594   8.997
  391    HD1  PHE  49          1HD       PHE  49   9.583  -9.966   7.730
  392    HD2  PHE  49          2HD       PHE  49   6.131 -11.847   6.133
  393    HE1  PHE  49          1HE       PHE  49  10.744 -10.266   5.576
  394    HE2  PHE  49          2HE       PHE  49   7.276 -12.157   3.981
  395    HZ   PHE  49           HZ       PHE  49   9.587 -11.363   3.697
  396    H    GLN  50           H        GLN  50   5.351  -9.480  10.603
  397    HA   GLN  50           HA       GLN  50   4.551 -11.752  12.071
  398   1HB   GLN  50          1HB       GLN  50   3.732  -9.992  13.767
  399   2HB   GLN  50          1HB       GLN  50   5.446 -10.055  13.392
  400   1HG   GLN  50          1HG       GLN  50   4.430  -8.247  11.559
  401   2HG   GLN  50          1HG       GLN  50   3.545  -7.905  13.043
  402   1HE2  GLN  50          1HE2      GLN  50   5.329  -8.358  14.988
  403   2HE2  GLN  50          2HE2      GLN  50   6.683  -7.295  14.845
  404    H    ALA  51           H        ALA  51   2.817  -9.510  10.123
  405    HA   ALA  51           HA       ALA  51   0.188 -10.481  10.977
  406   1HB   ALA  51          1HB       ALA  51   0.128  -8.584   8.802
  407   2HB   ALA  51          2HB       ALA  51   1.089  -7.969  10.147
  408   3HB   ALA  51          3HB       ALA  51  -0.582  -8.464  10.410
  409    H    LEU  52           H        LEU  52   2.622 -11.272   8.696
  410    HA   LEU  52           HA       LEU  52   1.212 -11.684   6.361
  411   1HB   LEU  52          1HB       LEU  52   3.673 -12.599   7.463
  412   2HB   LEU  52          1HB       LEU  52   2.859 -13.974   6.742
  413    HG   LEU  52           HG       LEU  52   2.670 -12.727   4.619
  414   1HD1  LEU  52          1HD1      LEU  52   3.498 -10.601   4.297
  415   2HD1  LEU  52          2HD1      LEU  52   4.572 -10.690   5.688
  416   3HD1  LEU  52          3HD1      LEU  52   2.838 -10.481   5.926
  417   1HD2  LEU  52          1HD2      LEU  52   5.401 -12.457   4.555
  418   2HD2  LEU  52          2HD2      LEU  52   4.511 -13.940   4.269
  419   3HD2  LEU  52          3HD2      LEU  52   5.152 -13.603   5.871
  420    H    GLY  53           H        GLY  53   1.696 -14.093   8.902
  421   1HA   GLY  53          2HA       GLY  53  -0.170 -15.301   9.849
  422   2HA   GLY  53          1HA       GLY  53  -0.954 -15.198   8.274
  423    H    ASP  54           H        ASP  54   0.616 -15.920   6.540
  424    HA   ASP  54           HA       ASP  54   1.903 -18.438   7.258
  425   1HB   ASP  54          1HB       ASP  54  -0.124 -17.915   5.109
  426   2HB   ASP  54          1HB       ASP  54   1.155 -19.088   4.815
  427    H    ALA  55           H        ALA  55   1.303 -16.547   4.415
  428    HA   ALA  55           HA       ALA  55   3.987 -15.497   4.333
  429   1HB   ALA  55          1HB       ALA  55   3.386 -17.808   2.899
  430   2HB   ALA  55          2HB       ALA  55   4.819 -16.788   2.760
  431   3HB   ALA  55          3HB       ALA  55   3.421 -16.494   1.723
  432    H    ALA  56           H        ALA  56   0.767 -15.701   3.029
  433    HA   ALA  56           HA       ALA  56   1.121 -13.076   1.731
  434   1HB   ALA  56          1HB       ALA  56  -0.366 -13.693   0.023
  435   2HB   ALA  56          2HB       ALA  56  -0.901 -15.128   0.897
  436   3HB   ALA  56          3HB       ALA  56   0.732 -15.057   0.233
  437    H    ASP  57           H        ASP  57   0.470 -11.846   3.480
  438    HA   ASP  57           HA       ASP  57  -2.363 -12.136   4.256
  439   1HB   ASP  57          1HB       ASP  57  -0.632 -12.058   6.061
  440   2HB   ASP  57          1HB       ASP  57  -0.303 -10.398   5.601
  441    H    ILE  58           H        ILE  58  -0.901 -10.532   1.857
  442    HA   ILE  58           HA       ILE  58  -2.708  -8.217   2.180
  443    HB   ILE  58           HB       ILE  58   0.024  -7.836   1.021
  444   1HG1  ILE  58          1HG1      ILE  58  -0.130  -6.765   3.674
  445   2HG1  ILE  58          1HG1      ILE  58  -0.408  -8.496   3.724
  446   1HG2  ILE  58          1HG2      ILE  58  -0.438  -5.612   1.052
  447   2HG2  ILE  58          2HG2      ILE  58  -1.522  -5.736   2.435
  448   3HG2  ILE  58          3HG2      ILE  58  -2.065  -6.262   0.844
  449   1HD1  ILE  58          1HD1      ILE  58   2.001  -7.555   3.905
  450   2HD1  ILE  58          2HD1      ILE  58   1.872  -7.423   2.152
  451   3HD1  ILE  58          3HD1      ILE  58   1.683  -8.992   2.933
  452    H    ARG  59           H        ARG  59  -4.015  -9.494   0.379
  453    HA   ARG  59           HA       ARG  59  -2.650  -9.098  -2.173
  454   1HB   ARG  59          1HB       ARG  59  -4.784 -10.865  -2.545
  455   2HB   ARG  59          1HB       ARG  59  -3.078 -11.279  -2.451
  456   1HG   ARG  59          1HG       ARG  59  -3.381 -11.474   0.049
  457   2HG   ARG  59          1HG       ARG  59  -5.115 -11.340  -0.236
  458   1HD   ARG  59          1HD       ARG  59  -4.749 -13.296  -1.889
  459   2HD   ARG  59          1HD       ARG  59  -3.226 -13.523  -1.029
  460    HE   ARG  59           HE       ARG  59  -4.410 -14.141   0.887
  461   1HH1  ARG  59          1HH1      ARG  59  -6.584 -13.317  -1.726
  462   2HH1  ARG  59          2HH1      ARG  59  -7.955 -14.061  -0.977
  463   1HH2  ARG  59          1HH2      ARG  59  -6.217 -15.101   1.869
  464   2HH2  ARG  59          2HH2      ARG  59  -7.749 -15.072   1.061
  465    H    PHE  60           H        PHE  60  -5.042  -7.765  -0.272
  466    HA   PHE  60           HA       PHE  60  -6.284  -6.393  -2.493
  467   1HB   PHE  60          1HB       PHE  60  -7.649  -8.028  -0.346
  468   2HB   PHE  60          1HB       PHE  60  -8.464  -6.670  -1.104
  469    HD1  PHE  60          1HD       PHE  60  -9.956  -7.209  -2.724
  470    HD2  PHE  60          2HD       PHE  60  -6.540  -9.692  -2.210
  471    HE1  PHE  60          1HE       PHE  60 -10.774  -8.700  -4.498
  472    HE2  PHE  60          2HE       PHE  60  -7.344 -11.177  -3.995
  473    HZ   PHE  60           HZ       PHE  60  -9.468 -10.686  -5.137
  474    H    VAL  61           H        VAL  61  -6.937  -4.434  -2.009
  475    HA   VAL  61           HA       VAL  61  -6.019  -3.409   0.584
  476    HB   VAL  61           HB       VAL  61  -5.104  -1.615  -0.439
  477   1HG1  VAL  61          1HG1      VAL  61  -3.496  -2.626  -1.514
  478   2HG1  VAL  61          2HG1      VAL  61  -4.536  -2.850  -2.917
  479   3HG1  VAL  61          3HG1      VAL  61  -4.527  -4.050  -1.628
  480   1HG2  VAL  61          1HG2      VAL  61  -6.420  -0.370  -1.731
  481   2HG2  VAL  61          2HG2      VAL  61  -7.289  -1.782  -2.317
  482   3HG2  VAL  61          3HG2      VAL  61  -5.766  -1.318  -3.066
  483    H    TYR  62           H        TYR  62  -7.542  -2.649   1.867
  484    HA   TYR  62           HA       TYR  62 -10.095  -1.834   0.772
  485   1HB   TYR  62          1HB       TYR  62  -9.314  -2.391   3.635
  486   2HB   TYR  62          1HB       TYR  62 -10.942  -2.077   3.055
  487    HD1  TYR  62          1HD       TYR  62  -8.256  -4.354   1.732
  488    HD2  TYR  62          2HD       TYR  62 -12.170  -3.992   3.373
  489    HE1  TYR  62          1HE       TYR  62  -8.602  -6.751   1.416
  490    HE2  TYR  62          2HE       TYR  62 -12.525  -6.401   3.053
  491    HH   TYR  62           HH       TYR  62 -10.490  -8.335   1.167
  492    H    THR  63           H        THR  63 -10.178   0.231   0.281
  493    HA   THR  63           HA       THR  63  -9.256   2.246   2.238
  494    HB   THR  63           HB       THR  63  -8.017   2.646   0.247
  495    HG1  THR  63          1HG       THR  63  -9.170   4.476   1.181
  496   1HG2  THR  63          1HG2      THR  63  -8.677   2.011  -1.766
  497   2HG2  THR  63          2HG2      THR  63  -9.980   3.201  -1.716
  498   3HG2  THR  63          3HG2      THR  63 -10.254   1.568  -1.111
  499    HA   PRO  64           HA       PRO  64 -13.532   3.144   3.072
  500   1HB   PRO  64          1HB       PRO  64 -12.494   5.935   3.262
  501   2HB   PRO  64          1HB       PRO  64 -13.514   5.029   4.387
  502   1HG   PRO  64          1HG       PRO  64 -10.922   5.401   4.875
  503   2HG   PRO  64          1HG       PRO  64 -11.718   3.869   5.275
  504   1HD   PRO  64          1HD       PRO  64  -9.841   4.511   3.061
  505   2HD   PRO  64          1HD       PRO  64 -10.073   2.988   3.941
  506    H    ALA  65           H        ALA  65 -15.239   3.742   2.002
  507    HA   ALA  65           HA       ALA  65 -15.067   5.145  -0.483
  508   1HB   ALA  65          1HB       ALA  65 -15.792   2.893  -0.769
  509   2HB   ALA  65          2HB       ALA  65 -17.159   3.958  -1.074
  510   3HB   ALA  65          3HB       ALA  65 -17.029   3.102   0.462
  511    H    MET  66           H        MET  66 -15.201   6.858   1.606
  512    HA   MET  66           HA       MET  66 -18.024   7.657   1.802
  513   1HB   MET  66          1HB       MET  66 -16.017   7.506   3.742
  514   2HB   MET  66          1HB       MET  66 -16.217   9.224   3.429
  515   1HG   MET  66          1HG       MET  66 -18.573   9.081   3.915
  516   2HG   MET  66          1HG       MET  66 -18.443   7.342   4.145
  517   1HE   MET  66          1HE       MET  66 -15.256   8.111   5.447
  518   2HE   MET  66          2HE       MET  66 -16.106   6.640   5.922
  519   3HE   MET  66          3HE       MET  66 -15.592   7.797   7.149
  520    H    GLU  67           H        GLU  67 -18.322  10.121   1.945
  521    HA   GLU  67           HA       GLU  67 -17.393  11.260  -0.495
  522   1HB   GLU  67          1HB       GLU  67 -19.435  11.795   1.397
  523   2HB   GLU  67          1HB       GLU  67 -18.469  13.258   1.263
  524   1HG   GLU  67          1HG       GLU  67 -19.321  11.894  -1.235
  525   2HG   GLU  67          1HG       GLU  67 -20.521  12.803  -0.315
  526    H    SER  68           H        SER  68 -16.926  12.271   2.899
  527    HA   SER  68           HA       SER  68 -14.495  13.709   2.082
  528   1HB   SER  68          1HB       SER  68 -16.477  14.079   4.276
  529   2HB   SER  68          1HB       SER  68 -14.804  14.522   4.611
  530    HG   SER  68           HG       SER  68 -15.513  15.470   2.205
  531    H    VAL  69           H        VAL  69 -13.730  11.396   1.915
  532    HA   VAL  69           HA       VAL  69 -12.418  10.592   4.423
  533    HB   VAL  69           HB       VAL  69 -14.449   9.215   3.589
  534   1HG1  VAL  69          1HG1      VAL  69 -14.272   8.552   1.481
  535   2HG1  VAL  69          2HG1      VAL  69 -13.299   7.251   2.154
  536   3HG1  VAL  69          3HG1      VAL  69 -12.521   8.666   1.461
  537   1HG2  VAL  69          1HG2      VAL  69 -13.434   7.112   4.389
  538   2HG2  VAL  69          2HG2      VAL  69 -13.190   8.491   5.456
  539   3HG2  VAL  69          3HG2      VAL  69 -11.874   7.928   4.434
  540    H    CYS  70           H        CYS  70 -11.192   8.366   2.873
  541    HA   CYS  70           HA       CYS  70  -9.119   9.921   1.547
  542   1HB   CYS  70          1HB       CYS  70  -8.682   7.062   1.549
  543   2HB   CYS  70          1HB       CYS  70  -7.689   8.319   2.271
  544    H    GLY  71           H        GLY  71 -10.743   6.886   1.096
  545   1HA   GLY  71          2HA       GLY  71 -11.744   5.949  -0.759
  546   2HA   GLY  71          1HA       GLY  71 -12.080   7.599  -1.284
  547    H    TYR  72           H        TYR  72  -9.482   5.314  -0.922
  548    HA   TYR  72           HA       TYR  72  -7.769   6.571  -2.783
  549   1HB   TYR  72          1HB       TYR  72  -7.278   4.810  -0.893
  550   2HB   TYR  72          1HB       TYR  72  -7.623   3.642  -2.162
  551    HD1  TYR  72          1HD       TYR  72  -6.406   4.854  -4.515
  552    HD2  TYR  72          2HD       TYR  72  -5.001   4.723  -0.511
  553    HE1  TYR  72          1HE       TYR  72  -4.099   5.038  -5.330
  554    HE2  TYR  72          2HE       TYR  72  -2.684   4.907  -1.307
  555    HH   TYR  72           HH       TYR  72  -1.864   5.823  -4.415
  556    H    PHE  73           H        PHE  73  -8.511   6.879  -4.694
  557    HA   PHE  73           HA       PHE  73  -9.675   4.562  -6.176
  558   1HB   PHE  73          1HB       PHE  73 -10.132   7.487  -6.306
  559   2HB   PHE  73          1HB       PHE  73  -9.998   6.702  -7.865
  560    HD1  PHE  73          1HD       PHE  73 -11.712   5.499  -8.769
  561    HD2  PHE  73          2HD       PHE  73 -11.961   6.799  -4.733
  562    HE1  PHE  73          1HE       PHE  73 -14.088   4.944  -8.761
  563    HE2  PHE  73          2HE       PHE  73 -14.358   6.240  -4.703
  564    HZ   PHE  73           HZ       PHE  73 -15.432   5.305  -6.716
  565    H    HIS  74           H        HIS  74  -7.077   4.122  -6.015
  566    HA   HIS  74           HA       HIS  74  -5.269   5.466  -7.401
  567   1HB   HIS  74          1HB       HIS  74  -4.706   3.550  -6.177
  568   2HB   HIS  74          1HB       HIS  74  -5.909   2.571  -6.972
  569    HD1  HIS  74          1HD       HIS  74  -4.744   0.786  -8.168
  570    HD2  HIS  74          2HD       HIS  74  -2.730   4.403  -8.477
  571    HE1  HIS  74          1HE       HIS  74  -2.717   0.305  -9.568
  572    HE2  HIS  74          2HE       HIS  74  -1.390   2.437  -9.491
  573    H    ARG  75           H        ARG  75  -4.567   5.581  -9.462
  574    HA   ARG  75           HA       ARG  75  -6.364   4.577 -11.570
  575   1HB   ARG  75          1HB       ARG  75  -5.027   7.288 -11.568
  576   2HB   ARG  75          1HB       ARG  75  -6.097   6.655 -12.810
  577   1HG   ARG  75          1HG       ARG  75  -6.854   7.292  -9.962
  578   2HG   ARG  75          1HG       ARG  75  -7.273   8.232 -11.394
  579   1HD   ARG  75          1HD       ARG  75  -8.095   5.358 -11.006
  580   2HD   ARG  75          1HD       ARG  75  -9.097   6.719 -10.502
  581    HE   ARG  75           HE       ARG  75  -8.547   7.234 -13.118
  582   1HH1  ARG  75          1HH1      ARG  75  -9.897   4.507 -11.411
  583   2HH1  ARG  75          2HH1      ARG  75 -10.898   4.012 -12.735
  584   1HH2  ARG  75          1HH2      ARG  75  -9.866   6.587 -14.863
  585   2HH2  ARG  75          2HH2      ARG  75 -10.880   5.192 -14.695
  586    H    SER  76           H        SER  76  -4.437   2.973 -11.105
  587    HA   SER  76           HA       SER  76  -2.836   3.081 -13.472
  588   1HB   SER  76          1HB       SER  76  -1.488   3.307 -10.772
  589   2HB   SER  76          1HB       SER  76  -0.654   2.698 -12.193
  590    HG   SER  76           HG       SER  76  -1.243   5.249 -11.493
  591    H    HIS  77           H        HIS  77  -4.612   1.316 -13.325
  592    HA   HIS  77           HA       HIS  77  -4.059  -1.007 -11.767
  593   1HB   HIS  77          1HB       HIS  77  -5.707  -2.106 -13.376
  594   2HB   HIS  77          1HB       HIS  77  -6.308  -0.764 -12.413
  595    HD1  HIS  77          1HD       HIS  77  -8.108  -0.959 -14.513
  596    HD2  HIS  77          2HD       HIS  77  -4.391   0.733 -15.274
  597    HE1  HIS  77          1HE       HIS  77  -8.395   0.367 -16.628
  598    HE2  HIS  77          2HE       HIS  77  -6.172   1.496 -16.986
  599    H    ASN  78           H        ASN  78  -1.812  -0.286 -12.937
  600    HA   ASN  78           HA       ASN  78  -1.184  -1.655 -15.343
  601   1HB   ASN  78          1HB       ASN  78   0.149   0.218 -13.964
  602   2HB   ASN  78          1HB       ASN  78   1.022  -1.210 -13.412
  603   1HD2  ASN  78          1HD2      ASN  78   1.399  -2.797 -15.368
  604   2HD2  ASN  78          2HD2      ASN  78   2.119  -2.055 -16.751
  605    H    ARG  79           H        ARG  79  -1.224  -3.762 -15.620
  606    HA   ARG  79           HA       ARG  79  -1.367  -5.601 -13.515
  607   1HB   ARG  79          1HB       ARG  79  -0.807  -7.213 -15.634
  608   2HB   ARG  79          1HB       ARG  79  -2.399  -6.600 -15.229
  609   1HG   ARG  79          1HG       ARG  79  -1.815  -6.394 -17.628
  610   2HG   ARG  79          1HG       ARG  79  -2.226  -4.859 -16.864
  611   1HD   ARG  79          1HD       ARG  79  -0.310  -4.048 -17.649
  612   2HD   ARG  79          1HD       ARG  79   0.525  -5.125 -16.546
  613    HE   ARG  79           HE       ARG  79  -0.142  -6.512 -18.905
  614   1HH1  ARG  79          1HH1      ARG  79   2.037  -4.063 -17.708
  615   2HH1  ARG  79          2HH1      ARG  79   3.285  -4.432 -18.850
  616   1HH2  ARG  79          1HH2      ARG  79   1.508  -6.999 -20.419
  617   2HH2  ARG  79          2HH2      ARG  79   2.987  -6.097 -20.385
  618    H    SER  80           H        SER  80   1.416  -4.687 -15.509
  619    HA   SER  80           HA       SER  80   3.025  -6.591 -13.943
  620   1HB   SER  80          1HB       SER  80   3.739  -5.372 -16.618
  621   2HB   SER  80          1HB       SER  80   4.568  -6.691 -15.791
  622    HG   SER  80           HG       SER  80   3.289  -7.835 -17.043
  623    H    GLU  81           H        GLU  81   2.228  -3.458 -13.737
  624    HA   GLU  81           HA       GLU  81   4.987  -2.550 -13.402
  625   1HB   GLU  81          1HB       GLU  81   3.028  -1.134 -14.439
  626   2HB   GLU  81          1HB       GLU  81   2.729  -0.728 -12.755
  627   1HG   GLU  81          1HG       GLU  81   4.163   0.946 -13.327
  628   2HG   GLU  81          1HG       GLU  81   5.310  -0.265 -12.757
  629    H    GLU  82           H        GLU  82   5.970  -2.706 -11.537
  630    HA   GLU  82           HA       GLU  82   4.632  -3.588  -9.201
  631   1HB   GLU  82          1HB       GLU  82   7.095  -2.591  -8.340
  632   2HB   GLU  82          1HB       GLU  82   6.702  -4.255  -8.725
  633   1HG   GLU  82          1HG       GLU  82   7.745  -4.184 -10.750
  634   2HG   GLU  82          1HG       GLU  82   7.516  -2.446 -10.933
  635    H    PHE  83           H        PHE  83   5.031  -2.359  -7.052
  636    HA   PHE  83           HA       PHE  83   4.898   0.492  -7.278
  637   1HB   PHE  83          1HB       PHE  83   2.445  -1.112  -6.882
  638   2HB   PHE  83          1HB       PHE  83   2.644   0.264  -5.808
  639    HD1  PHE  83          1HD       PHE  83   2.111  -0.775  -9.298
  640    HD2  PHE  83          2HD       PHE  83   2.575   2.513  -6.639
  641    HE1  PHE  83          1HE       PHE  83   1.282   0.745 -11.036
  642    HE2  PHE  83          2HE       PHE  83   1.744   4.037  -8.371
  643    HZ   PHE  83           HZ       PHE  83   1.096   3.155 -10.576
  644    H    LEU  84           H        LEU  84   4.324   1.405  -5.066
  645    HA   LEU  84           HA       LEU  84   5.633  -0.212  -2.955
  646   1HB   LEU  84          1HB       LEU  84   7.043   1.697  -3.829
  647   2HB   LEU  84          1HB       LEU  84   5.826   2.800  -3.226
  648    HG   LEU  84           HG       LEU  84   7.892   2.456  -1.790
  649   1HD1  LEU  84          1HD1      LEU  84   6.673   2.723   0.230
  650   2HD1  LEU  84          2HD1      LEU  84   5.268   1.890  -0.433
  651   3HD1  LEU  84          3HD1      LEU  84   5.729   3.475  -1.056
  652   1HD2  LEU  84          1HD2      LEU  84   7.626  -0.127  -2.124
  653   2HD2  LEU  84          2HD2      LEU  84   6.545   0.015  -0.739
  654   3HD2  LEU  84          3HD2      LEU  84   8.228   0.526  -0.600
  655    H    ILE  85           H        ILE  85   4.295  -0.585  -1.274
  656    HA   ILE  85           HA       ILE  85   2.068   1.325  -0.895
  657    HB   ILE  85           HB       ILE  85   2.027  -1.691  -0.683
  658   1HG1  ILE  85          1HG1      ILE  85   0.280  -0.052  -2.482
  659   2HG1  ILE  85          1HG1      ILE  85   1.955  -0.334  -2.944
  660   1HG2  ILE  85          1HG2      ILE  85   0.586  -0.607   1.037
  661   2HG2  ILE  85          2HG2      ILE  85  -0.335  -1.516  -0.158
  662   3HG2  ILE  85          3HG2      ILE  85  -0.269   0.244  -0.252
  663   1HD1  ILE  85          1HD1      ILE  85   1.243  -2.842  -2.371
  664   2HD1  ILE  85          2HD1      ILE  85   1.028  -2.115  -3.963
  665   3HD1  ILE  85          3HD1      ILE  85  -0.330  -2.196  -2.841
  666    H    ALA  86           H        ALA  86   2.398   2.379   0.869
  667    HA   ALA  86           HA       ALA  86   3.263   1.037   3.382
  668   1HB   ALA  86          1HB       ALA  86   3.731   3.199   4.346
  669   2HB   ALA  86          2HB       ALA  86   3.041   4.026   2.956
  670   3HB   ALA  86          3HB       ALA  86   4.544   3.124   2.782
  671    H    GLY  87           H        GLY  87   1.569   0.342   4.487
  672   1HA   GLY  87          2HA       GLY  87  -0.781   2.020   4.913
  673   2HA   GLY  87          1HA       GLY  87  -1.063   0.467   4.141
  674    H    LYS  88           H        LYS  88  -2.431   0.203   6.117
  675    HA   LYS  88           HA       LYS  88  -0.955  -1.038   8.300
  676   1HB   LYS  88          1HB       LYS  88  -1.643   1.161   9.097
  677   2HB   LYS  88          1HB       LYS  88  -3.264   0.895   8.515
  678   1HG   LYS  88          1HG       LYS  88  -3.891  -0.258  10.351
  679   2HG   LYS  88          1HG       LYS  88  -2.319  -1.012  10.546
  680   1HD   LYS  88          1HD       LYS  88  -1.683   0.495  12.044
  681   2HD   LYS  88          1HD       LYS  88  -2.124   1.824  10.973
  682   1HE   LYS  88          1HE       LYS  88  -3.628   2.275  12.589
  683   2HE   LYS  88          1HE       LYS  88  -4.571   1.025  11.778
  684   1HZ   LYS  88          1HZ       LYS  88  -3.549  -0.592  13.350
  685   2HZ   LYS  88          2HZ       LYS  88  -4.550   0.550  14.093
  686   3HZ   LYS  88          3HZ       LYS  88  -2.870   0.711  14.190
  687    H    LEU  89           H        LEU  89  -2.680  -2.462   9.649
  688    HA   LEU  89           HA       LEU  89  -4.433  -3.778   7.682
  689   1HB   LEU  89          1HB       LEU  89  -2.545  -4.822   9.704
  690   2HB   LEU  89          1HB       LEU  89  -4.053  -5.698   9.536
  691    HG   LEU  89           HG       LEU  89  -2.040  -5.190   7.354
  692   1HD1  LEU  89          1HD1      LEU  89  -2.884  -7.852   8.436
  693   2HD1  LEU  89          2HD1      LEU  89  -1.592  -6.929   9.208
  694   3HD1  LEU  89          3HD1      LEU  89  -1.433  -7.430   7.524
  695   1HD2  LEU  89          1HD2      LEU  89  -3.918  -5.308   6.096
  696   2HD2  LEU  89          2HD2      LEU  89  -4.827  -6.161   7.338
  697   3HD2  LEU  89          3HD2      LEU  89  -3.671  -7.036   6.334
  698    H    GLN  90           H        GLN  90  -6.557  -3.588   8.100
  699    HA   GLN  90           HA       GLN  90  -7.420  -3.109  10.860
  700   1HB   GLN  90          1HB       GLN  90  -8.340  -2.222   8.248
  701   2HB   GLN  90          1HB       GLN  90  -9.650  -2.873   9.220
  702   1HG   GLN  90          1HG       GLN  90  -9.782  -0.877  10.169
  703   2HG   GLN  90          1HG       GLN  90  -8.263  -1.258  10.978
  704   1HE2  GLN  90          1HE2      GLN  90  -6.278  -0.663   9.825
  705   2HE2  GLN  90          2HE2      GLN  90  -6.279   0.775   8.868
  706    H    ASP  91           H        ASP  91  -8.006  -4.820  11.947
  707    HA   ASP  91           HA       ASP  91  -8.626  -6.959  12.451
  708   1HB   ASP  91          1HB       ASP  91 -10.804  -5.595  11.004
  709   2HB   ASP  91          1HB       ASP  91 -11.012  -7.322  11.266
  710    H    GLY  92           H        GLY  92  -6.851  -7.047  10.123
  711   1HA   GLY  92          2HA       GLY  92  -6.238  -9.243   9.283
  712   2HA   GLY  92          1HA       GLY  92  -7.933  -9.566   9.031
  713    H    LEU  93           H        LEU  93  -7.664  -6.540   7.878
  714    HA   LEU  93           HA       LEU  93  -6.865  -7.488   5.203
  715   1HB   LEU  93          1HB       LEU  93  -9.124  -5.584   5.814
  716   2HB   LEU  93          1HB       LEU  93  -8.627  -6.117   4.222
  717    HG   LEU  93           HG       LEU  93 -10.599  -7.311   4.778
  718   1HD1  LEU  93          1HD1      LEU  93  -8.063  -8.854   4.848
  719   2HD1  LEU  93          2HD1      LEU  93  -9.354  -8.844   3.649
  720   3HD1  LEU  93          3HD1      LEU  93  -9.572  -9.705   5.172
  721   1HD2  LEU  93          1HD2      LEU  93  -9.783  -8.810   7.083
  722   2HD2  LEU  93          2HD2      LEU  93 -11.202  -7.789   6.853
  723   3HD2  LEU  93          3HD2      LEU  93  -9.690  -7.081   7.418
  724    H    LEU  94           H        LEU  94  -6.082  -5.913   3.734
  725    HA   LEU  94           HA       LEU  94  -4.421  -3.975   4.983
  726   1HB   LEU  94          1HB       LEU  94  -3.721  -5.149   2.945
  727   2HB   LEU  94          1HB       LEU  94  -5.038  -4.397   2.066
  728    HG   LEU  94           HG       LEU  94  -4.022  -2.177   2.512
  729   1HD1  LEU  94          1HD1      LEU  94  -1.494  -3.534   3.295
  730   2HD1  LEU  94          2HD1      LEU  94  -2.708  -3.185   4.525
  731   3HD1  LEU  94          3HD1      LEU  94  -2.015  -1.874   3.573
  732   1HD2  LEU  94          1HD2      LEU  94  -3.496  -2.818   0.399
  733   2HD2  LEU  94          2HD2      LEU  94  -2.710  -4.306   0.921
  734   3HD2  LEU  94          3HD2      LEU  94  -1.873  -2.761   1.084
  735    H    HIS  95           H        HIS  95  -4.427  -1.746   4.555
  736    HA   HIS  95           HA       HIS  95  -6.882  -0.586   3.564
  737   1HB   HIS  95          1HB       HIS  95  -6.037  -0.436   6.422
  738   2HB   HIS  95          1HB       HIS  95  -6.767   0.988   5.688
  739    HD1  HIS  95          1HD       HIS  95  -9.199   1.092   6.046
  740    HD2  HIS  95          2HD       HIS  95  -7.844  -2.831   5.840
  741    HE1  HIS  95          1HE       HIS  95 -11.239  -0.342   6.369
  742    HE2  HIS  95          2HE       HIS  95 -10.388  -2.712   6.288
  743    H    ILE  96           H        ILE  96  -6.629   1.498   2.812
  744    HA   ILE  96           HA       ILE  96  -3.937   2.628   3.077
  745    HB   ILE  96           HB       ILE  96  -4.928   3.155   0.421
  746   1HG1  ILE  96          1HG1      ILE  96  -5.953   0.891   0.722
  747   2HG1  ILE  96          1HG1      ILE  96  -4.764   0.984  -0.574
  748   1HG2  ILE  96          1HG2      ILE  96  -2.721   2.720  -0.210
  749   2HG2  ILE  96          2HG2      ILE  96  -2.447   1.654   1.167
  750   3HG2  ILE  96          3HG2      ILE  96  -2.604   3.391   1.417
  751   1HD1  ILE  96          1HD1      ILE  96  -3.322   0.249   1.696
  752   2HD1  ILE  96          2HD1      ILE  96  -3.763  -0.772   0.331
  753   3HD1  ILE  96          3HD1      ILE  96  -4.807  -0.697   1.748
  754    H    THR  97           H        THR  97  -3.784   4.811   2.858
  755    HA   THR  97           HA       THR  97  -6.257   6.332   2.556
  756    HB   THR  97           HB       THR  97  -5.699   7.719   4.522
  757    HG1  THR  97          1HG       THR  97  -3.631   7.547   4.988
  758   1HG2  THR  97          1HG2      THR  97  -6.318   4.854   4.799
  759   2HG2  THR  97          2HG2      THR  97  -7.190   6.272   5.381
  760   3HG2  THR  97          3HG2      THR  97  -5.782   5.680   6.262
  761    H    THR  98           H        THR  98  -5.950   8.337   1.649
  762    HA   THR  98           HA       THR  98  -3.555   8.651   0.178
  763    HB   THR  98           HB       THR  98  -5.097   9.659  -1.079
  764    HG1  THR  98          1HG       THR  98  -5.225  11.951  -0.681
  765   1HG2  THR  98          1HG2      THR  98  -6.630   9.947   1.411
  766   2HG2  THR  98          2HG2      THR  98  -7.150   9.457  -0.202
  767   3HG2  THR  98          3HG2      THR  98  -6.925  11.161   0.177
  768    H    CYS  99           H        CYS  99  -4.011   9.156   3.392
  769    HA   CYS  99           HA       CYS  99  -2.158  11.428   3.538
  770   1HB   CYS  99          1HB       CYS  99  -4.064  10.170   5.508
  771   2HB   CYS  99          1HB       CYS  99  -2.730  11.167   6.071
  772    H    SER 100           H        SER 100  -1.639   8.608   2.744
  773    HA   SER 100           HA       SER 100   0.393   7.951   4.748
  774   1HB   SER 100          1HB       SER 100  -1.811   6.421   4.416
  775   2HB   SER 100          1HB       SER 100  -0.761   5.707   3.192
  776    HG   SER 100           HG       SER 100  -0.084   6.091   5.923
  777    H    PHE 101           H        PHE 101   2.185   6.703   3.857
  778    HA   PHE 101           HA       PHE 101   3.072   7.864   1.407
  779   1HB   PHE 101          1HB       PHE 101   4.564   7.231   3.341
  780   2HB   PHE 101          1HB       PHE 101   4.418   5.561   2.799
  781    HD1  PHE 101          1HD       PHE 101   5.006   5.154   0.289
  782    HD2  PHE 101          2HD       PHE 101   6.260   8.546   2.531
  783    HE1  PHE 101          1HE       PHE 101   6.826   5.539  -1.320
  784    HE2  PHE 101          2HE       PHE 101   8.084   8.938   0.926
  785    HZ   PHE 101           HZ       PHE 101   8.367   7.434  -1.004
  786    H    VAL 102           H        VAL 102   2.169   7.221  -0.504
  787    HA   VAL 102           HA       VAL 102   2.284   4.369  -1.157
  788    HB   VAL 102           HB       VAL 102  -0.262   5.905  -1.654
  789   1HG1  VAL 102          1HG1      VAL 102   0.315   2.947  -1.734
  790   2HG1  VAL 102          2HG1      VAL 102   0.253   4.004  -3.145
  791   3HG1  VAL 102          3HG1      VAL 102  -1.195   3.743  -2.173
  792   1HG2  VAL 102          1HG2      VAL 102  -0.570   5.742   0.576
  793   2HG2  VAL 102          2HG2      VAL 102   0.620   4.455   0.758
  794   3HG2  VAL 102          3HG2      VAL 102  -0.998   4.078   0.180
  795    H    ALA 103           H        ALA 103   3.648   4.515  -2.881
  796    HA   ALA 103           HA       ALA 103   2.606   5.723  -5.293
  797   1HB   ALA 103          1HB       ALA 103   3.561   7.710  -4.988
  798   2HB   ALA 103          2HB       ALA 103   5.071   6.896  -5.396
  799   3HB   ALA 103          3HB       ALA 103   4.615   7.114  -3.706
  800    HA   PRO 104           HA       PRO 104   4.837   2.788  -7.718
  801   1HB   PRO 104          1HB       PRO 104   6.424   5.014  -8.893
  802   2HB   PRO 104          1HB       PRO 104   5.571   3.696  -9.703
  803   1HG   PRO 104          1HG       PRO 104   4.501   6.128  -9.655
  804   2HG   PRO 104          1HG       PRO 104   3.469   4.711  -9.379
  805   1HD   PRO 104          1HD       PRO 104   4.545   6.687  -7.403
  806   2HD   PRO 104          1HD       PRO 104   2.965   5.877  -7.439
  807    H    TRP 105           H        TRP 105   6.329   1.490  -6.980
  808    HA   TRP 105           HA       TRP 105   8.571   2.093  -5.453
  809   1HB   TRP 105          1HB       TRP 105   7.642  -0.187  -6.057
  810   2HB   TRP 105          1HB       TRP 105   8.368  -0.014  -7.619
  811    HD1  TRP 105           HD       TRP 105  10.534  -1.238  -7.837
  812    HE1  TRP 105          1HE       TRP 105  12.399  -1.985  -6.262
  813    HE3  TRP 105          3HE       TRP 105   8.769   0.758  -3.472
  814    HZ2  TRP 105          2HZ       TRP 105  13.049  -1.785  -3.517
  815    HZ3  TRP 105          3HZ       TRP 105  10.092   0.434  -1.412
  816    HH2  TRP 105           HH       TRP 105  12.189  -0.803  -1.464
  817    H    ASN 106           H        ASN 106   8.117   1.560  -8.869
  818    HA   ASN 106           HA       ASN 106  10.572   2.163  -9.751
  819   1HB   ASN 106          1HB       ASN 106   7.928   2.197 -11.095
  820   2HB   ASN 106          1HB       ASN 106   9.365   2.699 -11.982
  821   1HD2  ASN 106          1HD2      ASN 106   7.419   0.241 -11.765
  822   2HD2  ASN 106          2HD2      ASN 106   8.508  -1.092 -11.925
  823    H    SER 107           H        SER 107   9.190   4.291  -8.034
  824    HA   SER 107           HA       SER 107  10.153   6.578  -9.594
  825   1HB   SER 107          1HB       SER 107   7.627   6.548  -9.224
  826   2HB   SER 107          1HB       SER 107   7.980   6.820  -7.518
  827    HG   SER 107           HG       SER 107   7.739   8.645  -9.329
  828    H    LEU 108           H        LEU 108  10.399   4.711  -6.972
  829    HA   LEU 108           HA       LEU 108  11.379   6.443  -4.979
  830   1HB   LEU 108          1HB       LEU 108  11.142   3.567  -5.471
  831   2HB   LEU 108          1HB       LEU 108  12.368   4.026  -4.306
  832    HG   LEU 108           HG       LEU 108  10.425   5.405  -3.225
  833   1HD1  LEU 108          1HD1      LEU 108   9.085   4.096  -5.370
  834   2HD1  LEU 108          2HD1      LEU 108   8.427   5.202  -4.163
  835   3HD1  LEU 108          3HD1      LEU 108   8.464   3.468  -3.845
  836   1HD2  LEU 108          1HD2      LEU 108  11.549   3.531  -2.162
  837   2HD2  LEU 108          2HD2      LEU 108  10.560   2.401  -3.084
  838   3HD2  LEU 108          3HD2      LEU 108   9.809   3.450  -1.880
  839    H    SER 109           H        SER 109  13.440   6.294  -4.046
  840    HA   SER 109           HA       SER 109  15.614   6.751  -5.901
  841   1HB   SER 109          1HB       SER 109  16.054   6.407  -2.961
  842   2HB   SER 109          1HB       SER 109  16.824   7.518  -4.076
  843    HG   SER 109           HG       SER 109  14.907   8.740  -4.096
  844    H    LEU 110           H        LEU 110  16.700   5.284  -6.772
  845    HA   LEU 110           HA       LEU 110  16.687   2.628  -6.564
  846   1HB   LEU 110          1HB       LEU 110  18.872   2.635  -7.502
  847   2HB   LEU 110          1HB       LEU 110  18.047   4.068  -8.073
  848    HG   LEU 110           HG       LEU 110  20.216   4.742  -7.580
  849   1HD1  LEU 110          1HD1      LEU 110  18.130   5.798  -5.985
  850   2HD1  LEU 110          2HD1      LEU 110  19.487   6.612  -6.739
  851   3HD1  LEU 110          3HD1      LEU 110  19.665   5.906  -5.136
  852   1HD2  LEU 110          1HD2      LEU 110  20.843   4.316  -4.974
  853   2HD2  LEU 110          2HD2      LEU 110  21.420   3.359  -6.338
  854   3HD2  LEU 110          3HD2      LEU 110  20.008   2.830  -5.428
  855    H    ALA 111           H        ALA 111  18.250   4.836  -4.306
  856    HA   ALA 111           HA       ALA 111  19.512   2.737  -2.829
  857   1HB   ALA 111          1HB       ALA 111  20.120   5.340  -3.099
  858   2HB   ALA 111          2HB       ALA 111  20.640   4.367  -1.717
  859   3HB   ALA 111          3HB       ALA 111  19.214   5.397  -1.584
  860    H    GLN 112           H        GLN 112  16.712   4.728  -2.753
  861    HA   GLN 112           HA       GLN 112  15.731   3.737  -0.236
  862   1HB   GLN 112          1HB       GLN 112  15.386   6.101  -1.082
  863   2HB   GLN 112          1HB       GLN 112  14.332   5.430  -2.317
  864   1HG   GLN 112          1HG       GLN 112  12.752   4.720  -0.703
  865   2HG   GLN 112          1HG       GLN 112  13.862   5.071   0.622
  866   1HE2  GLN 112          1HE2      GLN 112  11.152   6.128  -0.682
  867   2HE2  GLN 112          2HE2      GLN 112  11.290   7.826  -0.418
  868    H    ARG 113           H        ARG 113  16.081   2.547  -3.180
  869    HA   ARG 113           HA       ARG 113  13.593   1.097  -3.437
  870   1HB   ARG 113          1HB       ARG 113  15.639   1.718  -5.205
  871   2HB   ARG 113          1HB       ARG 113  15.973   0.037  -4.801
  872   1HG   ARG 113          1HG       ARG 113  14.570  -0.363  -6.506
  873   2HG   ARG 113          1HG       ARG 113  13.341  -0.097  -5.274
  874   1HD   ARG 113          1HD       ARG 113  12.583   1.706  -6.286
  875   2HD   ARG 113          1HD       ARG 113  14.222   2.397  -6.373
  876    HE   ARG 113           HE       ARG 113  14.057   0.448  -8.341
  877   1HH1  ARG 113          1HH1      ARG 113  12.516   3.496  -7.614
  878   2HH1  ARG 113          2HH1      ARG 113  12.211   3.875  -9.275
  879   1HH2  ARG 113          1HH2      ARG 113  13.664   0.950 -10.516
  880   2HH2  ARG 113          2HH2      ARG 113  12.866   2.432 -10.923
  881    H    ARG 114           H        ARG 114  17.002   0.694  -2.453
  882    HA   ARG 114           HA       ARG 114  16.481  -1.937  -1.417
  883   1HB   ARG 114          1HB       ARG 114  18.718  -2.102  -0.822
  884   2HB   ARG 114          1HB       ARG 114  18.794  -1.049  -2.227
  885   1HG   ARG 114          1HG       ARG 114  20.258  -0.101  -0.707
  886   2HG   ARG 114          1HG       ARG 114  18.793   0.853  -0.490
  887   1HD   ARG 114          1HD       ARG 114  18.260  -0.199   1.508
  888   2HD   ARG 114          1HD       ARG 114  19.260  -1.589   1.159
  889    HE   ARG 114           HE       ARG 114  21.013  -0.497   2.149
  890   1HH1  ARG 114          1HH1      ARG 114  18.601   1.856   1.247
  891   2HH1  ARG 114          2HH1      ARG 114  19.417   3.175   2.017
  892   1HH2  ARG 114          1HH2      ARG 114  22.096   1.239   3.154
  893   2HH2  ARG 114          2HH2      ARG 114  21.401   2.825   3.099
  894    H    GLY 115           H        GLY 115  17.100   1.280  -0.047
  895   1HA   GLY 115          2HA       GLY 115  17.070   0.827   2.614
  896   2HA   GLY 115          1HA       GLY 115  16.280   2.215   1.900
  897    H    PHE 116           H        PHE 116  14.135   0.723   0.506
  898    HA   PHE 116           HA       PHE 116  12.650   0.275   2.942
  899   1HB   PHE 116          1HB       PHE 116  11.877   0.162   0.027
  900   2HB   PHE 116          1HB       PHE 116  10.794  -0.482   1.251
  901    HD1  PHE 116          1HD       PHE 116  10.184   1.153   3.179
  902    HD2  PHE 116          2HD       PHE 116  11.724   2.367  -0.587
  903    HE1  PHE 116          1HE       PHE 116   9.246   3.399   3.533
  904    HE2  PHE 116          2HE       PHE 116  10.799   4.615  -0.242
  905    HZ   PHE 116           HZ       PHE 116   9.560   5.141   1.819
  906    H    THR 117           H        THR 117  13.416  -1.679   0.120
  907    HA   THR 117           HA       THR 117  12.535  -4.088   1.027
  908    HB   THR 117           HB       THR 117  13.598  -3.388  -1.246
  909    HG1  THR 117          1HG       THR 117  13.246  -5.396  -1.747
  910   1HG2  THR 117          1HG2      THR 117  15.774  -4.340  -1.654
  911   2HG2  THR 117          2HG2      THR 117  15.926  -4.787   0.044
  912   3HG2  THR 117          3HG2      THR 117  15.878  -3.091  -0.418
  913    H    LYS 118           H        LYS 118  15.209  -2.376   2.302
  914    HA   LYS 118           HA       LYS 118  15.863  -4.771   3.867
  915   1HB   LYS 118          1HB       LYS 118  17.755  -4.967   2.703
  916   2HB   LYS 118          1HB       LYS 118  17.476  -3.442   1.888
  917   1HG   LYS 118          1HG       LYS 118  18.807  -2.272   3.336
  918   2HG   LYS 118          1HG       LYS 118  18.580  -3.420   4.659
  919   1HD   LYS 118          1HD       LYS 118  20.746  -3.879   4.025
  920   2HD   LYS 118          1HD       LYS 118  19.849  -5.062   3.070
  921   1HE   LYS 118          1HE       LYS 118  20.028  -3.738   1.109
  922   2HE   LYS 118          1HE       LYS 118  20.615  -2.351   2.023
  923   1HZ   LYS 118          1HZ       LYS 118  22.503  -4.021   2.653
  924   2HZ   LYS 118          2HZ       LYS 118  22.559  -3.161   1.198
  925   3HZ   LYS 118          3HZ       LYS 118  22.044  -4.772   1.208
  926    H    THR 119           H        THR 119  16.471  -1.323   3.611
  927    HA   THR 119           HA       THR 119  17.539  -1.265   6.274
  928    HB   THR 119           HB       THR 119  17.342   1.251   4.879
  929    HG1  THR 119          1HG       THR 119  17.322   0.138   3.018
  930   1HG2  THR 119          1HG2      THR 119  19.220  -0.059   6.452
  931   2HG2  THR 119          2HG2      THR 119  19.490   1.425   5.531
  932   3HG2  THR 119          3HG2      THR 119  19.899  -0.147   4.821
  933    H    TYR 120           H        TYR 120  14.397  -0.212   5.115
  934    HA   TYR 120           HA       TYR 120  14.434   1.856   7.127
  935   1HB   TYR 120          1HB       TYR 120  12.198   1.190   5.238
  936   2HB   TYR 120          1HB       TYR 120  12.388   2.624   6.227
  937    HD1  TYR 120          1HD       TYR 120  15.393   2.952   5.816
  938    HD2  TYR 120          2HD       TYR 120  12.178   2.329   3.132
  939    HE1  TYR 120          1HE       TYR 120  16.652   4.108   4.053
  940    HE2  TYR 120          2HE       TYR 120  13.412   3.475   1.351
  941    HH   TYR 120           HH       TYR 120  15.653   5.456   1.659
  942    H    THR 121           H        THR 121  12.915  -1.302   6.975
  943    HA   THR 121           HA       THR 121  10.867  -0.935   8.761
  944    HB   THR 121           HB       THR 121  11.125  -2.965   7.535
  945    HG1  THR 121          1HG       THR 121  10.913  -4.478   9.251
  946   1HG2  THR 121          1HG2      THR 121  13.098  -3.886   7.261
  947   2HG2  THR 121          2HG2      THR 121  13.133  -4.311   8.974
  948   3HG2  THR 121          3HG2      THR 121  13.784  -2.759   8.434
  949    H    VAL 122           H        VAL 122  14.055  -0.815   9.323
  950    HA   VAL 122           HA       VAL 122  13.803  -0.907  12.274
  951    HB   VAL 122           HB       VAL 122  16.418  -1.614  10.980
  952   1HG1  VAL 122          1HG1      VAL 122  17.133  -1.961  13.068
  953   2HG1  VAL 122          2HG1      VAL 122  15.678  -2.854  13.508
  954   3HG1  VAL 122          3HG1      VAL 122  15.687  -1.093  13.584
  955   1HG2  VAL 122          1HG2      VAL 122  14.025  -3.185  10.887
  956   2HG2  VAL 122          2HG2      VAL 122  15.203  -3.972  11.937
  957   3HG2  VAL 122          3HG2      VAL 122  15.634  -3.572  10.275
  958    H    GLY 123           H        GLY 123  15.154   0.673   9.498
  959   1HA   GLY 123          2HA       GLY 123  16.143   2.833  11.252
  960   2HA   GLY 123          1HA       GLY 123  16.905   2.404   9.721
  961    H    CYS 124           H        CYS 124  13.530   2.421  10.320
  962    HA   CYS 124           HA       CYS 124  12.641   3.711   8.075
  963   1HB   CYS 124          1HB       CYS 124  10.542   3.965   9.397
  964   2HB   CYS 124          1HB       CYS 124  11.289   2.359   9.534
  965    H    GLU 125           H        GLU 125  14.460   5.473   8.207
  966    HA   GLU 125           HA       GLU 125  13.203   7.880   9.319
  967   1HB   GLU 125          1HB       GLU 125  15.969   8.402   9.185
  968   2HB   GLU 125          1HB       GLU 125  14.964   8.268  10.620
  969   1HG   GLU 125          1HG       GLU 125  15.344   5.733  10.377
  970   2HG   GLU 125          1HG       GLU 125  16.686   6.206   9.330
  971    H    GLU 126           H        GLU 126  12.475   7.273   6.887
  972    HA   GLU 126           HA       GLU 126  14.249   8.753   5.116
  973   1HB   GLU 126          1HB       GLU 126  12.274   6.593   4.683
  974   2HB   GLU 126          1HB       GLU 126  12.485   7.771   3.394
  975   1HG   GLU 126          1HG       GLU 126  14.717   6.188   4.633
  976   2HG   GLU 126          1HG       GLU 126  13.872   5.752   3.148
  Start of MODEL   11
    1   1H    CYS   1          1HT       CYS   1 -10.339  15.397   2.364
    2   2H    CYS   1          2HT       CYS   1  -9.195  15.681   1.119
    3   3H    CYS   1          3HT       CYS   1  -8.977  16.392   2.664
    4    HA   CYS   1           HA       CYS   1  -8.404  14.422   3.650
    5   1HB   CYS   1          1HB       CYS   1 -10.380  13.275   2.443
    6   2HB   CYS   1          1HB       CYS   1  -9.223  12.899   1.194
    7    H    THR   2           H        THR   2  -8.186  14.457   0.132
    8    HA   THR   2           HA       THR   2  -5.822  13.130  -0.094
    9    HB   THR   2           HB       THR   2  -5.665  14.111  -2.361
   10    HG1  THR   2          1HG       THR   2  -6.607  16.208  -1.490
   11   1HG2  THR   2          1HG2      THR   2  -7.124  12.498  -2.797
   12   2HG2  THR   2          2HG2      THR   2  -8.365  13.750  -2.732
   13   3HG2  THR   2          3HG2      THR   2  -8.012  12.783  -1.299
   14    H    CYS   3           H        CYS   3  -3.960  13.578   0.772
   15    HA   CYS   3           HA       CYS   3  -2.915  16.332   0.729
   16   1HB   CYS   3          1HB       CYS   3  -1.661  15.795   2.753
   17   2HB   CYS   3          1HB       CYS   3  -3.364  15.471   3.024
   18    H    VAL   4           H        VAL   4  -0.294  15.796   1.340
   19    HA   VAL   4           HA       VAL   4   0.604  14.436  -1.099
   20    HB   VAL   4           HB       VAL   4   1.354  16.708  -0.857
   21   1HG1  VAL   4          1HG1      VAL   4   1.224  17.019   1.510
   22   2HG1  VAL   4          2HG1      VAL   4   2.876  17.364   0.998
   23   3HG1  VAL   4          3HG1      VAL   4   2.499  15.831   1.784
   24   1HG2  VAL   4          1HG2      VAL   4   3.839  16.390  -0.868
   25   2HG2  VAL   4          2HG2      VAL   4   2.936  15.364  -1.978
   26   3HG2  VAL   4          3HG2      VAL   4   3.549  14.699  -0.461
   27    HA   PRO   5           HA       PRO   5   2.126  10.746   0.751
   28   1HB   PRO   5          1HB       PRO   5   4.683  11.514  -0.621
   29   2HB   PRO   5          1HB       PRO   5   3.879   9.937  -0.545
   30   1HG   PRO   5          1HG       PRO   5   3.586  11.391  -2.715
   31   2HG   PRO   5          1HG       PRO   5   2.161  10.606  -2.005
   32   1HD   PRO   5          1HD       PRO   5   3.006  13.461  -1.890
   33   2HD   PRO   5          1HD       PRO   5   1.374  12.798  -2.043
   34    HA   PRO   6           HA       PRO   6   4.235  12.554   4.313
   35   1HB   PRO   6          1HB       PRO   6   3.182  10.440   5.915
   36   2HB   PRO   6          1HB       PRO   6   2.624  12.109   5.818
   37   1HG   PRO   6          1HG       PRO   6   1.195   9.908   4.953
   38   2HG   PRO   6          1HG       PRO   6   0.921  11.573   4.411
   39   1HD   PRO   6          1HD       PRO   6   2.413   9.360   3.063
   40   2HD   PRO   6          1HD       PRO   6   1.359  10.609   2.365
   41    H    HIS   7           H        HIS   7   5.960  12.161   5.560
   42    HA   HIS   7           HA       HIS   7   8.074  10.811   4.846
   43   1HB   HIS   7          1HB       HIS   7   7.456  10.502   7.749
   44   2HB   HIS   7          1HB       HIS   7   8.947  11.012   6.973
   45    HD1  HIS   7          1HD       HIS   7   8.085  13.442   5.418
   46    HD2  HIS   7          2HD       HIS   7   6.725  12.619   9.257
   47    HE1  HIS   7          1HE       HIS   7   7.351  15.654   6.359
   48    HE2  HIS   7          2HE       HIS   7   6.436  15.115   8.644
   49    HA   PRO   8           HA       PRO   8   7.007   6.483   4.723
   50   1HB   PRO   8          1HB       PRO   8   9.393   5.552   3.954
   51   2HB   PRO   8          1HB       PRO   8   8.370   6.476   2.852
   52   1HG   PRO   8          1HG       PRO   8  10.578   7.456   4.592
   53   2HG   PRO   8          1HG       PRO   8  10.401   7.686   2.842
   54   1HD   PRO   8          1HD       PRO   8   9.639   9.609   4.537
   55   2HD   PRO   8          1HD       PRO   8   8.636   9.212   3.124
   56    H    GLN   9           H        GLN   9   9.402   8.029   6.797
   57    HA   GLN   9           HA       GLN   9  10.192   5.716   8.221
   58   1HB   GLN   9          1HB       GLN   9  11.472   7.493   8.940
   59   2HB   GLN   9          1HB       GLN   9  10.262   8.663   8.474
   60   1HG   GLN   9          1HG       GLN   9   9.063   8.126  10.612
   61   2HG   GLN   9          1HG       GLN   9  10.464   7.166  11.072
   62   1HE2  GLN   9          1HE2      GLN   9   9.135   9.897  11.829
   63   2HE2  GLN   9          2HE2      GLN   9  10.502  10.936  12.017
   64    H    THR  10           H        THR  10   7.974   8.314   8.997
   65    HA   THR  10           HA       THR  10   6.379   6.996  10.750
   66    HB   THR  10           HB       THR  10   6.166   9.412   9.073
   67    HG1  THR  10          1HG       THR  10   5.266   9.257  11.703
   68   1HG2  THR  10          1HG2      THR  10   3.741   9.429  10.482
   69   2HG2  THR  10          2HG2      THR  10   3.744   7.958   9.514
   70   3HG2  THR  10          3HG2      THR  10   3.990   9.524   8.738
   71    H    ALA  11           H        ALA  11   5.737   7.282   7.206
   72    HA   ALA  11           HA       ALA  11   3.346   5.814   7.252
   73   1HB   ALA  11          1HB       ALA  11   3.538   5.594   4.915
   74   2HB   ALA  11          2HB       ALA  11   5.282   5.848   4.975
   75   3HB   ALA  11          3HB       ALA  11   4.185   7.178   5.351
   76    H    PHE  12           H        PHE  12   6.669   4.644   6.705
   77    HA   PHE  12           HA       PHE  12   5.879   1.997   6.171
   78   1HB   PHE  12          1HB       PHE  12   8.230   3.253   5.968
   79   2HB   PHE  12          1HB       PHE  12   8.495   2.433   7.507
   80    HD1  PHE  12          1HD       PHE  12   9.357   0.326   7.453
   81    HD2  PHE  12          2HD       PHE  12   7.203   1.733   4.089
   82    HE1  PHE  12          1HE       PHE  12   9.926  -1.731   6.250
   83    HE2  PHE  12          2HE       PHE  12   7.753  -0.333   2.874
   84    HZ   PHE  12           HZ       PHE  12   9.123  -2.052   3.950
   85    H    CYS  13           H        CYS  13   7.284   3.366   9.121
   86    HA   CYS  13           HA       CYS  13   6.861   1.046  10.629
   87   1HB   CYS  13          1HB       CYS  13   7.802   3.800  11.108
   88   2HB   CYS  13          1HB       CYS  13   7.177   2.948  12.514
   89    H    ASN  14           H        ASN  14   5.049   4.194  10.675
   90    HA   ASN  14           HA       ASN  14   3.253   3.420  12.609
   91   1HB   ASN  14          1HB       ASN  14   3.216   5.399  10.444
   92   2HB   ASN  14          1HB       ASN  14   1.618   4.813  10.879
   93   1HD2  ASN  14          1HD2      ASN  14   1.798   7.301  11.374
   94   2HD2  ASN  14          2HD2      ASN  14   2.118   7.663  13.033
   95    H    SER  15           H        SER  15   3.202   2.656   9.139
   96    HA   SER  15           HA       SER  15   0.777   1.253   9.214
   97   1HB   SER  15          1HB       SER  15   2.725   1.975   7.263
   98   2HB   SER  15          1HB       SER  15   2.291   0.296   7.079
   99    HG   SER  15           HG       SER  15   0.781   1.333   5.962
  100    H    ASP  16           H        ASP  16   0.459  -0.677   9.366
  101    HA   ASP  16           HA       ASP  16   2.403  -2.471  10.528
  102   1HB   ASP  16          1HB       ASP  16  -0.518  -2.208  10.459
  103   2HB   ASP  16          1HB       ASP  16   0.139  -3.785  10.857
  104    H    LEU  17           H        LEU  17   1.812  -1.927   7.576
  105    HA   LEU  17           HA       LEU  17   2.669  -4.393   6.669
  106   1HB   LEU  17          1HB       LEU  17  -0.269  -4.084   6.448
  107   2HB   LEU  17          1HB       LEU  17   0.591  -4.865   5.129
  108    HG   LEU  17           HG       LEU  17   1.544  -5.950   7.595
  109   1HD1  LEU  17          1HD1      LEU  17  -0.229  -6.374   8.854
  110   2HD1  LEU  17          2HD1      LEU  17  -1.222  -6.795   7.458
  111   3HD1  LEU  17          3HD1      LEU  17  -1.035  -5.104   7.935
  112   1HD2  LEU  17          1HD2      LEU  17   1.750  -7.218   5.656
  113   2HD2  LEU  17          2HD2      LEU  17   0.053  -6.995   5.242
  114   3HD2  LEU  17          3HD2      LEU  17   0.493  -8.030   6.592
  115    H    VAL  18           H        VAL  18   3.884  -4.041   4.980
  116    HA   VAL  18           HA       VAL  18   3.045  -2.023   3.043
  117    HB   VAL  18           HB       VAL  18   5.877  -2.149   4.079
  118   1HG1  VAL  18          1HG1      VAL  18   5.845   0.208   3.044
  119   2HG1  VAL  18          2HG1      VAL  18   4.393  -0.334   2.223
  120   3HG1  VAL  18          3HG1      VAL  18   5.910  -1.185   1.966
  121   1HG2  VAL  18          1HG2      VAL  18   5.280  -1.043   5.905
  122   2HG2  VAL  18          2HG2      VAL  18   3.601  -0.976   5.373
  123   3HG2  VAL  18          3HG2      VAL  18   4.731   0.284   4.883
  124    H    ILE  19           H        ILE  19   3.441  -2.680   0.967
  125    HA   ILE  19           HA       ILE  19   5.470  -4.690   0.465
  126    HB   ILE  19           HB       ILE  19   3.859  -6.235  -0.536
  127   1HG1  ILE  19          1HG1      ILE  19   2.125  -4.484  -1.069
  128   2HG1  ILE  19          1HG1      ILE  19   1.481  -5.961  -0.365
  129   1HG2  ILE  19          1HG2      ILE  19   3.512  -7.305   1.383
  130   2HG2  ILE  19          2HG2      ILE  19   2.582  -5.980   2.072
  131   3HG2  ILE  19          3HG2      ILE  19   4.339  -5.944   2.127
  132   1HD1  ILE  19          1HD1      ILE  19   0.333  -4.166   0.642
  133   2HD1  ILE  19          2HD1      ILE  19   1.825  -3.289   0.960
  134   3HD1  ILE  19          3HD1      ILE  19   1.468  -4.768   1.850
  135    H    ARG  20           H        ARG  20   5.887  -5.003  -1.675
  136    HA   ARG  20           HA       ARG  20   4.923  -2.891  -3.435
  137   1HB   ARG  20          1HB       ARG  20   6.901  -2.946  -4.595
  138   2HB   ARG  20          1HB       ARG  20   7.448  -3.389  -2.990
  139   1HG   ARG  20          1HG       ARG  20   7.512  -5.724  -3.638
  140   2HG   ARG  20          1HG       ARG  20   6.900  -5.302  -5.238
  141   1HD   ARG  20          1HD       ARG  20   8.867  -3.877  -5.596
  142   2HD   ARG  20          1HD       ARG  20   9.470  -4.350  -4.022
  143    HE   ARG  20           HE       ARG  20   9.572  -6.663  -4.944
  144   1HH1  ARG  20          1HH1      ARG  20   9.703  -3.893  -7.079
  145   2HH1  ARG  20          2HH1      ARG  20  10.583  -4.733  -8.309
  146   1HH2  ARG  20          1HH2      ARG  20  10.743  -7.752  -6.563
  147   2HH2  ARG  20          2HH2      ARG  20  11.172  -6.917  -8.019
  148    H    ALA  21           H        ALA  21   3.853  -3.242  -5.097
  149    HA   ALA  21           HA       ALA  21   3.520  -5.834  -6.356
  150   1HB   ALA  21          1HB       ALA  21   1.492  -4.837  -4.460
  151   2HB   ALA  21          2HB       ALA  21   2.033  -6.471  -4.802
  152   3HB   ALA  21          3HB       ALA  21   0.927  -5.668  -5.911
  153    H    LYS  22           H        LYS  22   1.691  -5.944  -7.798
  154    HA   LYS  22           HA       LYS  22   1.469  -3.563  -9.508
  155   1HB   LYS  22          1HB       LYS  22   1.795  -6.452  -9.990
  156   2HB   LYS  22          1HB       LYS  22   0.638  -5.666 -11.040
  157   1HG   LYS  22          1HG       LYS  22   2.311  -4.278 -11.953
  158   2HG   LYS  22          1HG       LYS  22   3.446  -4.660 -10.654
  159   1HD   LYS  22          1HD       LYS  22   2.604  -7.076 -11.942
  160   2HD   LYS  22          1HD       LYS  22   3.167  -5.931 -13.146
  161   1HE   LYS  22          1HE       LYS  22   5.265  -6.323 -12.614
  162   2HE   LYS  22          1HE       LYS  22   4.949  -5.881 -10.938
  163   1HZ   LYS  22          1HZ       LYS  22   4.316  -8.110 -10.447
  164   2HZ   LYS  22          2HZ       LYS  22   5.811  -8.166 -11.236
  165   3HZ   LYS  22          3HZ       LYS  22   4.396  -8.563 -12.074
  166    H    PHE  23           H        PHE  23  -0.645  -3.085 -10.347
  167    HA   PHE  23           HA       PHE  23  -2.774  -4.120  -8.630
  168   1HB   PHE  23          1HB       PHE  23  -2.519  -1.782 -10.504
  169   2HB   PHE  23          1HB       PHE  23  -4.108  -2.348  -9.989
  170    HD1  PHE  23          1HD       PHE  23  -0.882  -1.049  -8.812
  171    HD2  PHE  23          2HD       PHE  23  -4.938  -1.886  -7.853
  172    HE1  PHE  23          1HE       PHE  23  -0.624   0.158  -6.691
  173    HE2  PHE  23          2HE       PHE  23  -4.689  -0.673  -5.730
  174    HZ   PHE  23           HZ       PHE  23  -2.523   0.327  -5.156
  175    H    VAL  24           H        VAL  24  -4.364  -5.133  -9.155
  176    HA   VAL  24           HA       VAL  24  -4.698  -6.092 -11.901
  177    HB   VAL  24           HB       VAL  24  -5.382  -8.285 -10.633
  178   1HG1  VAL  24          1HG1      VAL  24  -2.516  -7.520 -10.950
  179   2HG1  VAL  24          2HG1      VAL  24  -3.573  -7.967 -12.290
  180   3HG1  VAL  24          3HG1      VAL  24  -3.195  -9.144 -11.030
  181   1HG2  VAL  24          1HG2      VAL  24  -5.157  -7.455  -8.399
  182   2HG2  VAL  24          2HG2      VAL  24  -3.495  -7.025  -8.741
  183   3HG2  VAL  24          3HG2      VAL  24  -3.965  -8.712  -8.707
  184    H    GLY  25           H        GLY  25  -6.702  -7.419  -9.398
  185   1HA   GLY  25          2HA       GLY  25  -9.086  -7.039 -10.623
  186   2HA   GLY  25          1HA       GLY  25  -8.927  -7.162  -8.890
  187    H    THR  26           H        THR  26 -11.024  -5.843  -9.786
  188    HA   THR  26           HA       THR  26 -10.436  -2.981  -9.861
  189    HB   THR  26           HB       THR  26 -12.006  -3.946 -11.506
  190    HG1  THR  26          1HG       THR  26 -13.695  -2.416 -11.113
  191   1HG2  THR  26          1HG2      THR  26 -13.060  -5.683 -10.190
  192   2HG2  THR  26          2HG2      THR  26 -14.264  -4.566 -10.832
  193   3HG2  THR  26          3HG2      THR  26 -13.786  -4.466  -9.138
  194    HA   PRO  27           HA       PRO  27 -11.593  -2.318  -5.669
  195   1HB   PRO  27          1HB       PRO  27 -12.210   0.271  -5.650
  196   2HB   PRO  27          1HB       PRO  27 -10.578  -0.292  -6.032
  197   1HG   PRO  27          1HG       PRO  27 -12.764   0.573  -7.885
  198   2HG   PRO  27          1HG       PRO  27 -11.040   0.973  -7.933
  199   1HD   PRO  27          1HD       PRO  27 -12.209  -0.980  -9.461
  200   2HD   PRO  27          1HD       PRO  27 -10.500  -0.976  -9.007
  201    H    GLU  28           H        GLU  28 -13.209  -2.683  -4.323
  202    HA   GLU  28           HA       GLU  28 -15.932  -2.491  -5.383
  203   1HB   GLU  28          1HB       GLU  28 -14.717  -4.062  -3.248
  204   2HB   GLU  28          1HB       GLU  28 -16.261  -3.322  -2.800
  205   1HG   GLU  28          1HG       GLU  28 -17.435  -4.473  -4.421
  206   2HG   GLU  28          1HG       GLU  28 -15.994  -4.812  -5.382
  207    H    VAL  29           H        VAL  29 -17.036  -0.744  -5.130
  208    HA   VAL  29           HA       VAL  29 -16.614   0.825  -2.704
  209    HB   VAL  29           HB       VAL  29 -18.281   1.905  -4.874
  210   1HG1  VAL  29          1HG1      VAL  29 -18.153   3.155  -2.849
  211   2HG1  VAL  29          2HG1      VAL  29 -17.188   4.008  -4.054
  212   3HG1  VAL  29          3HG1      VAL  29 -16.396   3.029  -2.819
  213   1HG2  VAL  29          1HG2      VAL  29 -15.555   1.085  -5.219
  214   2HG2  VAL  29          2HG2      VAL  29 -15.669   2.841  -5.308
  215   3HG2  VAL  29          3HG2      VAL  29 -16.642   1.839  -6.385
  216    H    ASN  30           H        ASN  30 -18.269   1.678  -1.545
  217    HA   ASN  30           HA       ASN  30 -20.939   0.864  -2.178
  218   1HB   ASN  30          1HB       ASN  30 -19.922  -0.967  -0.686
  219   2HB   ASN  30          1HB       ASN  30 -20.227   0.192   0.620
  220   1HD2  ASN  30          1HD2      ASN  30 -21.973  -0.480   1.640
  221   2HD2  ASN  30          2HD2      ASN  30 -23.468  -0.936   0.905
  222    H    GLN  31           H        GLN  31 -22.482   1.534  -0.666
  223    HA   GLN  31           HA       GLN  31 -21.982   4.332   0.068
  224   1HB   GLN  31          1HB       GLN  31 -24.629   2.873  -0.067
  225   2HB   GLN  31          1HB       GLN  31 -24.394   4.597   0.196
  226   1HG   GLN  31          1HG       GLN  31 -23.779   3.040  -2.297
  227   2HG   GLN  31          1HG       GLN  31 -25.058   4.232  -2.074
  228   1HE2  GLN  31          1HE2      GLN  31 -21.719   3.713  -2.735
  229   2HE2  GLN  31          2HE2      GLN  31 -21.288   5.365  -3.001
  230    H    THR  32           H        THR  32 -21.895   1.267   1.274
  231    HA   THR  32           HA       THR  32 -22.345   2.093   4.041
  232    HB   THR  32           HB       THR  32 -23.804   0.246   2.339
  233    HG1  THR  32          1HG       THR  32 -24.519   2.085   3.731
  234   1HG2  THR  32          1HG2      THR  32 -24.093  -1.621   3.549
  235   2HG2  THR  32          2HG2      THR  32 -23.683  -0.851   5.082
  236   3HG2  THR  32          3HG2      THR  32 -22.403  -1.304   3.943
  237    H    THR  33           H        THR  33 -19.874   1.414   2.360
  238    HA   THR  33           HA       THR  33 -18.906  -0.910   3.886
  239    HB   THR  33           HB       THR  33 -17.028  -0.845   2.363
  240    HG1  THR  33          1HG       THR  33 -17.363   0.785   0.527
  241   1HG2  THR  33          1HG2      THR  33 -18.277  -2.131   1.081
  242   2HG2  THR  33          2HG2      THR  33 -18.423  -0.688   0.062
  243   3HG2  THR  33          3HG2      THR  33 -19.678  -1.084   1.260
  244    H    LEU  34           H        LEU  34 -18.399   2.655   3.258
  245    HA   LEU  34           HA       LEU  34 -17.175   4.073   4.336
  246   1HB   LEU  34          1HB       LEU  34 -17.283   1.937   6.369
  247   2HB   LEU  34          1HB       LEU  34 -16.018   3.149   6.546
  248    HG   LEU  34           HG       LEU  34 -18.774   3.356   7.167
  249   1HD1  LEU  34          1HD1      LEU  34 -17.644   5.836   7.582
  250   2HD1  LEU  34          2HD1      LEU  34 -16.275   4.729   7.671
  251   3HD1  LEU  34          3HD1      LEU  34 -17.665   4.497   8.730
  252   1HD2  LEU  34          1HD2      LEU  34 -17.937   4.849   4.743
  253   2HD2  LEU  34          2HD2      LEU  34 -18.859   5.750   5.947
  254   3HD2  LEU  34          3HD2      LEU  34 -19.536   4.282   5.233
  255    H    TYR  35           H        TYR  35 -16.072   1.091   3.448
  256    HA   TYR  35           HA       TYR  35 -13.551   2.226   2.497
  257   1HB   TYR  35          1HB       TYR  35 -12.491  -0.073   3.180
  258   2HB   TYR  35          1HB       TYR  35 -12.512   1.298   4.284
  259    HD1  TYR  35          1HD       TYR  35 -13.664  -2.059   3.673
  260    HD2  TYR  35          2HD       TYR  35 -14.204   1.421   6.037
  261    HE1  TYR  35          1HE       TYR  35 -14.895  -3.391   5.350
  262    HE2  TYR  35          2HE       TYR  35 -15.415   0.132   7.710
  263    HH   TYR  35           HH       TYR  35 -16.819  -2.584   7.289
  264    H    GLN  36           H        GLN  36 -12.317   0.480   1.173
  265    HA   GLN  36           HA       GLN  36 -14.242  -1.014  -0.424
  266   1HB   GLN  36          1HB       GLN  36 -12.246   1.023  -1.431
  267   2HB   GLN  36          1HB       GLN  36 -13.217  -0.026  -2.458
  268   1HG   GLN  36          1HG       GLN  36 -14.930   1.353  -2.362
  269   2HG   GLN  36          1HG       GLN  36 -14.852   1.430  -0.608
  270   1HE2  GLN  36          1HE2      GLN  36 -14.649   3.193  -3.373
  271   2HE2  GLN  36          2HE2      GLN  36 -13.781   4.563  -2.781
  272    H    ARG  37           H        ARG  37 -12.656  -1.982  -2.325
  273    HA   ARG  37           HA       ARG  37 -10.172  -2.852  -1.122
  274   1HB   ARG  37          1HB       ARG  37 -10.911  -4.840  -0.458
  275   2HB   ARG  37          1HB       ARG  37 -12.521  -4.447  -1.029
  276   1HG   ARG  37          1HG       ARG  37 -11.534  -5.222  -3.344
  277   2HG   ARG  37          1HG       ARG  37 -10.391  -6.081  -2.309
  278   1HD   ARG  37          1HD       ARG  37 -11.935  -7.568  -1.644
  279   2HD   ARG  37          1HD       ARG  37 -13.181  -6.335  -1.468
  280    HE   ARG  37           HE       ARG  37 -13.996  -7.015  -3.473
  281   1HH1  ARG  37          1HH1      ARG  37 -10.590  -7.769  -3.398
  282   2HH1  ARG  37          2HH1      ARG  37 -10.589  -8.493  -4.971
  283   1HH2  ARG  37          1HH2      ARG  37 -13.997  -7.965  -5.541
  284   2HH2  ARG  37          2HH2      ARG  37 -12.523  -8.603  -6.188
  285    H    TYR  38           H        TYR  38  -8.662  -3.479  -2.522
  286    HA   TYR  38           HA       TYR  38  -9.288  -3.367  -5.420
  287   1HB   TYR  38          1HB       TYR  38  -7.244  -1.825  -3.919
  288   2HB   TYR  38          1HB       TYR  38  -6.607  -2.674  -5.319
  289    HD1  TYR  38          1HD       TYR  38  -8.034   0.353  -4.199
  290    HD2  TYR  38          2HD       TYR  38  -7.963  -2.259  -7.562
  291    HE1  TYR  38          1HE       TYR  38  -8.715   2.196  -5.626
  292    HE2  TYR  38          2HE       TYR  38  -8.650  -0.398  -9.007
  293    HH   TYR  38           HH       TYR  38  -9.262   1.748  -9.109
  294    H    GLU  39           H        GLU  39  -8.052  -4.910  -6.671
  295    HA   GLU  39           HA       GLU  39  -6.793  -6.971  -5.017
  296   1HB   GLU  39          1HB       GLU  39  -8.722  -7.555  -6.553
  297   2HB   GLU  39          1HB       GLU  39  -7.685  -7.126  -7.890
  298   1HG   GLU  39          1HG       GLU  39  -6.353  -8.969  -7.661
  299   2HG   GLU  39          1HG       GLU  39  -6.749  -9.170  -5.956
  300    H    ILE  40           H        ILE  40  -4.599  -7.221  -5.152
  301    HA   ILE  40           HA       ILE  40  -3.352  -5.881  -7.448
  302    HB   ILE  40           HB       ILE  40  -1.452  -5.377  -5.763
  303   1HG1  ILE  40          1HG1      ILE  40  -3.636  -5.167  -3.746
  304   2HG1  ILE  40          1HG1      ILE  40  -2.907  -6.750  -4.003
  305   1HG2  ILE  40          1HG2      ILE  40  -3.382  -3.474  -4.977
  306   2HG2  ILE  40          2HG2      ILE  40  -3.772  -3.968  -6.624
  307   3HG2  ILE  40          3HG2      ILE  40  -2.167  -3.342  -6.248
  308   1HD1  ILE  40          1HD1      ILE  40  -0.994  -4.555  -3.681
  309   2HD1  ILE  40          2HD1      ILE  40  -1.001  -6.173  -2.981
  310   3HD1  ILE  40          3HD1      ILE  40  -1.987  -4.898  -2.266
  311    H    LYS  41           H        LYS  41  -1.798  -6.828  -8.447
  312    HA   LYS  41           HA       LYS  41  -1.076  -9.481  -7.953
  313   1HB   LYS  41          1HB       LYS  41  -1.068  -8.514 -10.201
  314   2HB   LYS  41          1HB       LYS  41   0.218  -7.420  -9.735
  315   1HG   LYS  41          1HG       LYS  41   0.944  -9.354 -11.114
  316   2HG   LYS  41          1HG       LYS  41   1.788  -9.199  -9.573
  317   1HD   LYS  41          1HD       LYS  41   1.206 -11.522 -10.014
  318   2HD   LYS  41          1HD       LYS  41   0.328 -10.915  -8.610
  319   1HE   LYS  41          1HE       LYS  41  -1.237 -12.147  -9.878
  320   2HE   LYS  41          1HE       LYS  41  -1.599 -10.447 -10.175
  321   1HZ   LYS  41          1HZ       LYS  41  -0.163 -10.702 -12.226
  322   2HZ   LYS  41          2HZ       LYS  41  -1.664 -11.479 -12.259
  323   3HZ   LYS  41          3HZ       LYS  41  -0.257 -12.373 -11.978
  324    H    MET  42           H        MET  42  -0.356  -9.351  -5.759
  325    HA   MET  42           HA       MET  42   1.559  -7.680  -4.732
  326   1HB   MET  42          1HB       MET  42  -0.009  -9.083  -3.445
  327   2HB   MET  42          1HB       MET  42   0.973 -10.487  -3.835
  328   1HG   MET  42          1HG       MET  42   2.699  -8.533  -2.749
  329   2HG   MET  42          1HG       MET  42   1.272  -8.610  -1.717
  330   1HE   MET  42          1HE       MET  42   4.553 -10.552  -2.869
  331   2HE   MET  42          2HE       MET  42   4.777 -11.097  -1.207
  332   3HE   MET  42          3HE       MET  42   4.501  -9.389  -1.545
  333    H    THR  43           H        THR  43   3.598  -7.384  -5.249
  334    HA   THR  43           HA       THR  43   5.099  -9.443  -6.559
  335    HB   THR  43           HB       THR  43   6.126  -6.781  -5.596
  336    HG1  THR  43          1HG       THR  43   4.999  -7.365  -8.126
  337   1HG2  THR  43          1HG2      THR  43   7.197  -7.482  -8.084
  338   2HG2  THR  43          2HG2      THR  43   7.318  -8.917  -7.068
  339   3HG2  THR  43          3HG2      THR  43   8.028  -7.395  -6.532
  340    H    LYS  44           H        LYS  44   5.855  -7.464  -3.641
  341    HA   LYS  44           HA       LYS  44   6.637  -9.787  -2.153
  342   1HB   LYS  44          1HB       LYS  44   8.706  -7.669  -2.792
  343   2HB   LYS  44          1HB       LYS  44   8.923  -9.021  -1.690
  344   1HG   LYS  44          1HG       LYS  44   8.204  -9.589  -4.522
  345   2HG   LYS  44          1HG       LYS  44   9.849  -9.100  -4.140
  346   1HD   LYS  44          1HD       LYS  44   8.523 -11.278  -2.575
  347   2HD   LYS  44          1HD       LYS  44   9.236 -11.622  -4.153
  348   1HE   LYS  44          1HE       LYS  44  11.324 -11.504  -3.355
  349   2HE   LYS  44          1HE       LYS  44  10.978 -10.049  -2.424
  350   1HZ   LYS  44          1HZ       LYS  44  11.362 -12.588  -1.439
  351   2HZ   LYS  44          2HZ       LYS  44   9.700 -12.315  -1.282
  352   3HZ   LYS  44          3HZ       LYS  44  10.804 -11.242  -0.580
  353    H    MET  45           H        MET  45   6.902  -9.266   0.110
  354    HA   MET  45           HA       MET  45   5.541  -6.784   0.866
  355   1HB   MET  45          1HB       MET  45   5.211  -7.892   3.054
  356   2HB   MET  45          1HB       MET  45   4.586  -8.862   1.724
  357   1HG   MET  45          1HG       MET  45   7.362  -9.347   2.644
  358   2HG   MET  45          1HG       MET  45   6.028  -9.904   3.639
  359   1HE   MET  45          1HE       MET  45   8.000 -12.392   2.315
  360   2HE   MET  45          2HE       MET  45   6.502 -13.322   2.351
  361   3HE   MET  45          3HE       MET  45   6.832 -12.135   3.605
  362    H    TYR  46           H        TYR  46   6.520  -5.170   2.118
  363    HA   TYR  46           HA       TYR  46   9.344  -5.603   2.858
  364   1HB   TYR  46          1HB       TYR  46   7.878  -3.114   1.987
  365   2HB   TYR  46          1HB       TYR  46   9.491  -3.096   2.675
  366    HD1  TYR  46          1HD       TYR  46   7.639  -4.741  -0.124
  367    HD2  TYR  46          2HD       TYR  46  11.261  -3.035   1.247
  368    HE1  TYR  46          1HE       TYR  46   8.620  -4.994  -2.363
  369    HE2  TYR  46          2HE       TYR  46  12.255  -3.277  -0.971
  370    HH   TYR  46           HH       TYR  46  10.747  -3.574  -3.618
  371    H    LYS  47           H        LYS  47   6.630  -5.813   4.394
  372    HA   LYS  47           HA       LYS  47   7.494  -5.152   6.919
  373   1HB   LYS  47          1HB       LYS  47   7.037  -2.761   5.738
  374   2HB   LYS  47          1HB       LYS  47   5.410  -3.118   6.307
  375   1HG   LYS  47          1HG       LYS  47   7.175  -3.675   8.440
  376   2HG   LYS  47          1HG       LYS  47   7.637  -2.111   7.768
  377   1HD   LYS  47          1HD       LYS  47   5.950  -1.193   8.892
  378   2HD   LYS  47          1HD       LYS  47   4.831  -2.102   7.877
  379   1HE   LYS  47          1HE       LYS  47   4.171  -3.238   9.667
  380   2HE   LYS  47          1HE       LYS  47   5.801  -3.888   9.837
  381   1HZ   LYS  47          1HZ       LYS  47   6.390  -2.194  11.319
  382   2HZ   LYS  47          2HZ       LYS  47   4.841  -2.661  11.812
  383   3HZ   LYS  47          3HZ       LYS  47   5.051  -1.239  10.921
  384    H    GLY  48           H        GLY  48   6.398  -6.683   7.875
  385   1HA   GLY  48          2HA       GLY  48   3.866  -6.927   8.623
  386   2HA   GLY  48          1HA       GLY  48   3.759  -7.460   6.950
  387    H    PHE  49           H        PHE  49   6.795  -8.258   8.062
  388    HA   PHE  49           HA       PHE  49   6.728 -10.907   7.775
  389   1HB   PHE  49          1HB       PHE  49   8.274  -9.773  10.082
  390   2HB   PHE  49          1HB       PHE  49   8.741 -11.060   8.982
  391    HD1  PHE  49          1HD       PHE  49   8.769 -10.107   6.367
  392    HD2  PHE  49          2HD       PHE  49   9.488  -7.877   9.917
  393    HE1  PHE  49          1HE       PHE  49  10.054  -8.465   5.069
  394    HE2  PHE  49          2HE       PHE  49  10.777  -6.237   8.624
  395    HZ   PHE  49           HZ       PHE  49  11.063  -6.526   6.198
  396    H    GLN  50           H        GLN  50   6.318  -9.362  10.952
  397    HA   GLN  50           HA       GLN  50   5.702 -11.693  12.351
  398   1HB   GLN  50          1HB       GLN  50   4.547 -10.215  13.976
  399   2HB   GLN  50          1HB       GLN  50   6.149  -9.646  13.533
  400   1HG   GLN  50          1HG       GLN  50   4.854  -8.219  11.783
  401   2HG   GLN  50          1HG       GLN  50   3.482  -8.509  12.853
  402   1HE2  GLN  50          1HE2      GLN  50   3.778  -7.929  15.129
  403   2HE2  GLN  50          2HE2      GLN  50   4.756  -6.557  15.514
  404    H    ALA  51           H        ALA  51   3.828  -9.866  10.103
  405    HA   ALA  51           HA       ALA  51   1.359 -11.295  10.735
  406   1HB   ALA  51          1HB       ALA  51   1.491  -8.750  10.319
  407   2HB   ALA  51          2HB       ALA  51   0.193  -9.666   9.553
  408   3HB   ALA  51          3HB       ALA  51   1.609  -9.192   8.614
  409    H    LEU  52           H        LEU  52   4.020 -11.538   8.768
  410    HA   LEU  52           HA       LEU  52   2.997 -12.559   6.356
  411   1HB   LEU  52          1HB       LEU  52   5.693 -12.480   7.659
  412   2HB   LEU  52          1HB       LEU  52   5.444 -13.481   6.244
  413    HG   LEU  52           HG       LEU  52   4.896 -10.519   6.340
  414   1HD1  LEU  52          1HD1      LEU  52   7.184 -10.546   6.467
  415   2HD1  LEU  52          2HD1      LEU  52   6.959 -10.611   4.735
  416   3HD1  LEU  52          3HD1      LEU  52   7.333 -12.080   5.626
  417   1HD2  LEU  52          1HD2      LEU  52   5.112 -11.053   3.781
  418   2HD2  LEU  52          2HD2      LEU  52   3.592 -11.263   4.623
  419   3HD2  LEU  52          3HD2      LEU  52   4.623 -12.655   4.296
  420    H    GLY  53           H        GLY  53   1.504 -13.814   7.578
  421   1HA   GLY  53          2HA       GLY  53   1.866 -15.980   9.160
  422   2HA   GLY  53          1HA       GLY  53   0.600 -15.873   7.956
  423    H    ASP  54           H        ASP  54   2.043 -15.961   5.683
  424    HA   ASP  54           HA       ASP  54   3.561 -18.442   5.806
  425   1HB   ASP  54          1HB       ASP  54   1.056 -18.076   4.429
  426   2HB   ASP  54          1HB       ASP  54   2.347 -18.372   3.266
  427    H    ALA  55           H        ALA  55   2.554 -16.367   3.226
  428    HA   ALA  55           HA       ALA  55   5.114 -15.045   3.082
  429   1HB   ALA  55          1HB       ALA  55   4.756 -17.364   1.651
  430   2HB   ALA  55          2HB       ALA  55   5.991 -16.134   1.373
  431   3HB   ALA  55          3HB       ALA  55   4.475 -16.087   0.470
  432    H    ALA  56           H        ALA  56   1.945 -15.619   1.775
  433    HA   ALA  56           HA       ALA  56   1.816 -12.855   0.726
  434   1HB   ALA  56          1HB       ALA  56   1.583 -14.172  -1.144
  435   2HB   ALA  56          2HB       ALA  56  -0.099 -13.927  -0.673
  436   3HB   ALA  56          3HB       ALA  56   0.718 -15.439  -0.276
  437    H    ASP  57           H        ASP  57   1.169 -12.107   2.790
  438    HA   ASP  57           HA       ASP  57  -1.575 -12.854   3.537
  439   1HB   ASP  57          1HB       ASP  57   0.689 -12.657   5.106
  440   2HB   ASP  57          1HB       ASP  57  -0.134 -11.130   5.410
  441    H    ILE  58           H        ILE  58  -0.487 -10.830   1.434
  442    HA   ILE  58           HA       ILE  58  -2.414  -8.749   2.116
  443    HB   ILE  58           HB       ILE  58   0.295  -7.825   1.233
  444   1HG1  ILE  58          1HG1      ILE  58  -0.023  -7.367   4.018
  445   2HG1  ILE  58          1HG1      ILE  58  -0.168  -9.085   3.735
  446   1HG2  ILE  58          1HG2      ILE  58  -1.827  -6.429   1.207
  447   2HG2  ILE  58          2HG2      ILE  58  -0.418  -5.727   2.009
  448   3HG2  ILE  58          3HG2      ILE  58  -1.718  -6.433   2.968
  449   1HD1  ILE  58          1HD1      ILE  58   2.115  -7.353   2.885
  450   2HD1  ILE  58          2HD1      ILE  58   1.979  -9.081   2.590
  451   3HD1  ILE  58          3HD1      ILE  58   2.112  -8.470   4.239
  452    H    ARG  59           H        ARG  59  -3.484  -9.761   0.174
  453    HA   ARG  59           HA       ARG  59  -2.087  -8.988  -2.273
  454   1HB   ARG  59          1HB       ARG  59  -4.219 -11.086  -1.959
  455   2HB   ARG  59          1HB       ARG  59  -3.191 -10.807  -3.359
  456   1HG   ARG  59          1HG       ARG  59  -1.284 -11.244  -1.583
  457   2HG   ARG  59          1HG       ARG  59  -2.579 -12.133  -0.781
  458   1HD   ARG  59          1HD       ARG  59  -2.356 -13.827  -2.194
  459   2HD   ARG  59          1HD       ARG  59  -2.549 -12.755  -3.580
  460    HE   ARG  59           HE       ARG  59   0.067 -12.579  -2.477
  461   1HH1  ARG  59          1HH1      ARG  59  -1.957 -14.568  -4.511
  462   2HH1  ARG  59          2HH1      ARG  59  -0.626 -15.239  -5.391
  463   1HH2  ARG  59          1HH2      ARG  59   1.816 -13.461  -3.634
  464   2HH2  ARG  59          2HH2      ARG  59   1.516 -14.612  -4.893
  465    H    PHE  60           H        PHE  60  -4.533  -7.962  -0.349
  466    HA   PHE  60           HA       PHE  60  -5.788  -6.422  -2.442
  467   1HB   PHE  60          1HB       PHE  60  -7.306  -7.879  -0.268
  468   2HB   PHE  60          1HB       PHE  60  -7.999  -6.855  -1.519
  469    HD1  PHE  60          1HD       PHE  60  -6.367 -10.083  -0.844
  470    HD2  PHE  60          2HD       PHE  60  -8.454  -7.686  -3.666
  471    HE1  PHE  60          1HE       PHE  60  -6.676 -12.055  -2.283
  472    HE2  PHE  60          2HE       PHE  60  -8.774  -9.644  -5.102
  473    HZ   PHE  60           HZ       PHE  60  -7.882 -11.837  -4.420
  474    H    VAL  61           H        VAL  61  -6.436  -4.525  -1.860
  475    HA   VAL  61           HA       VAL  61  -5.455  -3.601   0.746
  476    HB   VAL  61           HB       VAL  61  -4.701  -1.732  -0.275
  477   1HG1  VAL  61          1HG1      VAL  61  -4.089  -4.047  -1.579
  478   2HG1  VAL  61          2HG1      VAL  61  -3.192  -2.531  -1.619
  479   3HG1  VAL  61          3HG1      VAL  61  -4.394  -2.877  -2.863
  480   1HG2  VAL  61          1HG2      VAL  61  -5.618  -1.258  -2.780
  481   2HG2  VAL  61          2HG2      VAL  61  -6.255  -0.497  -1.324
  482   3HG2  VAL  61          3HG2      VAL  61  -7.049  -1.918  -1.995
  483    H    TYR  62           H        TYR  62  -6.881  -2.821   2.159
  484    HA   TYR  62           HA       TYR  62  -9.503  -2.011   1.188
  485   1HB   TYR  62          1HB       TYR  62  -8.731  -3.011   3.920
  486   2HB   TYR  62          1HB       TYR  62 -10.358  -2.591   3.409
  487    HD1  TYR  62          1HD       TYR  62  -7.557  -4.720   2.065
  488    HD2  TYR  62          2HD       TYR  62 -11.703  -4.379   2.985
  489    HE1  TYR  62          1HE       TYR  62  -7.911  -7.020   1.304
  490    HE2  TYR  62          2HE       TYR  62 -12.066  -6.683   2.212
  491    HH   TYR  62           HH       TYR  62 -11.147  -8.479   1.256
  492    H    THR  63           H        THR  63  -9.672   0.058   0.988
  493    HA   THR  63           HA       THR  63  -8.830   1.838   3.200
  494    HB   THR  63           HB       THR  63  -7.537   2.328   1.223
  495    HG1  THR  63          1HG       THR  63  -8.134   4.473   1.017
  496   1HG2  THR  63          1HG2      THR  63  -8.956   3.359  -0.726
  497   2HG2  THR  63          2HG2      THR  63 -10.168   2.227  -0.144
  498   3HG2  THR  63          3HG2      THR  63  -8.593   1.641  -0.678
  499    HA   PRO  64           HA       PRO  64 -13.014   3.061   3.958
  500   1HB   PRO  64          1HB       PRO  64 -11.994   5.855   4.024
  501   2HB   PRO  64          1HB       PRO  64 -12.964   4.964   5.210
  502   1HG   PRO  64          1HG       PRO  64 -10.360   5.382   5.613
  503   2HG   PRO  64          1HG       PRO  64 -11.126   3.850   6.074
  504   1HD   PRO  64          1HD       PRO  64  -9.356   4.463   3.747
  505   2HD   PRO  64          1HD       PRO  64  -9.470   2.985   4.723
  506    H    ALA  65           H        ALA  65 -14.715   3.471   2.737
  507    HA   ALA  65           HA       ALA  65 -14.562   4.868   0.247
  508   1HB   ALA  65          1HB       ALA  65 -16.407   2.773   1.279
  509   2HB   ALA  65          2HB       ALA  65 -15.370   2.718  -0.129
  510   3HB   ALA  65          3HB       ALA  65 -16.801   3.729  -0.146
  511    H    MET  66           H        MET  66 -14.902   6.953   0.663
  512    HA   MET  66           HA       MET  66 -17.535   7.687   1.674
  513   1HB   MET  66          1HB       MET  66 -15.154   7.986   3.188
  514   2HB   MET  66          1HB       MET  66 -15.661   9.593   2.687
  515   1HG   MET  66          1HG       MET  66 -17.995   8.385   3.549
  516   2HG   MET  66          1HG       MET  66 -16.771   7.831   4.690
  517   1HE   MET  66          1HE       MET  66 -15.472  10.500   6.532
  518   2HE   MET  66          2HE       MET  66 -15.847   8.794   6.294
  519   3HE   MET  66          3HE       MET  66 -16.971   9.829   7.174
  520    H    GLU  67           H        GLU  67 -17.879  10.135   1.358
  521    HA   GLU  67           HA       GLU  67 -17.277  10.700  -1.382
  522   1HB   GLU  67          1HB       GLU  67 -18.942  12.262  -1.293
  523   2HB   GLU  67          1HB       GLU  67 -19.415  11.261   0.065
  524   1HG   GLU  67          1HG       GLU  67 -17.627  13.478   0.768
  525   2HG   GLU  67          1HG       GLU  67 -19.179  13.965   0.108
  526    H    SER  68           H        SER  68 -16.354  12.159   1.722
  527    HA   SER  68           HA       SER  68 -14.359  13.780   0.290
  528   1HB   SER  68          1HB       SER  68 -16.121  14.320   2.529
  529   2HB   SER  68          1HB       SER  68 -14.441  14.639   2.957
  530    HG   SER  68           HG       SER  68 -14.411  15.828   0.860
  531    H    VAL  69           H        VAL  69 -14.051  10.935   0.960
  532    HA   VAL  69           HA       VAL  69 -11.974  11.006   3.026
  533    HB   VAL  69           HB       VAL  69 -13.839   9.241   2.917
  534   1HG1  VAL  69          1HG1      VAL  69 -13.737   8.552   0.651
  535   2HG1  VAL  69          2HG1      VAL  69 -13.194   7.197   1.642
  536   3HG1  VAL  69          3HG1      VAL  69 -12.017   8.182   0.778
  537   1HG2  VAL  69          1HG2      VAL  69 -11.404   7.690   3.180
  538   2HG2  VAL  69          2HG2      VAL  69 -12.630   8.095   4.381
  539   3HG2  VAL  69          3HG2      VAL  69 -11.337   9.239   4.022
  540    H    CYS  70           H        CYS  70 -10.271   9.083   2.323
  541    HA   CYS  70           HA       CYS  70  -8.986  10.135  -0.085
  542   1HB   CYS  70          1HB       CYS  70  -7.951   8.657   2.342
  543   2HB   CYS  70          1HB       CYS  70  -6.979   8.875   0.899
  544    H    GLY  71           H        GLY  71  -9.523   7.035   1.567
  545   1HA   GLY  71          2HA       GLY  71  -9.928   4.960   0.685
  546   2HA   GLY  71          1HA       GLY  71 -10.531   5.786  -0.744
  547    H    TYR  72           H        TYR  72  -9.410   5.547  -2.542
  548    HA   TYR  72           HA       TYR  72  -6.592   5.634  -2.571
  549   1HB   TYR  72          1HB       TYR  72  -6.954   3.318  -1.692
  550   2HB   TYR  72          1HB       TYR  72  -7.740   2.923  -3.216
  551    HD1  TYR  72          1HD       TYR  72  -5.912   1.108  -3.138
  552    HD2  TYR  72          2HD       TYR  72  -5.093   5.240  -3.695
  553    HE1  TYR  72          1HE       TYR  72  -3.738   0.546  -4.107
  554    HE2  TYR  72          2HE       TYR  72  -2.930   4.694  -4.676
  555    HH   TYR  72           HH       TYR  72  -1.655   1.442  -4.692
  556    H    PHE  73           H        PHE  73  -7.396   7.270  -4.079
  557    HA   PHE  73           HA       PHE  73  -8.653   6.458  -6.465
  558   1HB   PHE  73          1HB       PHE  73  -7.412   8.951  -5.466
  559   2HB   PHE  73          1HB       PHE  73  -7.487   8.779  -7.217
  560    HD1  PHE  73          1HD       PHE  73  -9.696   8.497  -8.332
  561    HD2  PHE  73          2HD       PHE  73  -9.358   9.402  -4.186
  562    HE1  PHE  73          1HE       PHE  73 -12.048   9.222  -8.302
  563    HE2  PHE  73          2HE       PHE  73 -11.710  10.128  -4.150
  564    HZ   PHE  73           HZ       PHE  73 -13.057  10.038  -6.209
  565    H    HIS  74           H        HIS  74  -7.606   4.719  -7.303
  566    HA   HIS  74           HA       HIS  74  -4.809   5.013  -8.033
  567   1HB   HIS  74          1HB       HIS  74  -5.182   2.914  -7.157
  568   2HB   HIS  74          1HB       HIS  74  -6.758   2.754  -7.910
  569    HD1  HIS  74          1HD       HIS  74  -3.441   1.492  -8.129
  570    HD2  HIS  74          2HD       HIS  74  -6.390   2.424 -10.901
  571    HE1  HIS  74          1HE       HIS  74  -2.854   0.193 -10.196
  572    HE2  HIS  74          2HE       HIS  74  -4.579   0.874 -11.900
  573    H    ARG  75           H        ARG  75  -4.211   5.886  -9.861
  574    HA   ARG  75           HA       ARG  75  -6.010   5.752 -12.191
  575   1HB   ARG  75          1HB       ARG  75  -3.991   7.823 -11.333
  576   2HB   ARG  75          1HB       ARG  75  -4.624   7.764 -12.972
  577   1HG   ARG  75          1HG       ARG  75  -5.818   9.399 -11.647
  578   2HG   ARG  75          1HG       ARG  75  -6.890   8.075 -12.105
  579   1HD   ARG  75          1HD       ARG  75  -7.340   7.647  -9.973
  580   2HD   ARG  75          1HD       ARG  75  -5.626   7.464  -9.614
  581    HE   ARG  75           HE       ARG  75  -5.622   9.556  -8.700
  582   1HH1  ARG  75          1HH1      ARG  75  -8.519   9.185 -10.613
  583   2HH1  ARG  75          2HH1      ARG  75  -9.218  10.671 -10.064
  584   1HH2  ARG  75          1HH2      ARG  75  -6.541  11.502  -7.978
  585   2HH2  ARG  75          2HH2      ARG  75  -8.095  11.988  -8.568
  586    H    SER  76           H        SER  76  -4.538   3.519 -11.877
  587    HA   SER  76           HA       SER  76  -2.367   3.836 -13.834
  588   1HB   SER  76          1HB       SER  76  -2.501   1.758 -11.639
  589   2HB   SER  76          1HB       SER  76  -1.182   1.981 -12.777
  590    HG   SER  76           HG       SER  76  -1.716   3.302 -10.464
  591    H    HIS  77           H        HIS  77  -2.731   2.904 -15.722
  592    HA   HIS  77           HA       HIS  77  -4.875   0.970 -16.073
  593   1HB   HIS  77          1HB       HIS  77  -4.019   3.010 -17.618
  594   2HB   HIS  77          1HB       HIS  77  -3.090   1.698 -18.336
  595    HD1  HIS  77          1HD       HIS  77  -5.855   3.418 -19.224
  596    HD2  HIS  77          2HD       HIS  77  -5.314  -0.631 -18.468
  597    HE1  HIS  77          1HE       HIS  77  -7.721   2.254 -20.441
  598    HE2  HIS  77          2HE       HIS  77  -7.308  -0.203 -20.060
  599    H    ASN  78           H        ASN  78  -1.439   1.185 -16.239
  600    HA   ASN  78           HA       ASN  78  -0.891  -1.325 -17.376
  601   1HB   ASN  78          1HB       ASN  78   0.662   0.745 -16.940
  602   2HB   ASN  78          1HB       ASN  78   1.033  -0.101 -15.444
  603   1HD2  ASN  78          1HD2      ASN  78   0.704  -0.810 -18.910
  604   2HD2  ASN  78          2HD2      ASN  78   2.104  -1.818 -19.008
  605    H    ARG  79           H        ARG  79  -1.530  -3.204 -16.563
  606    HA   ARG  79           HA       ARG  79  -1.751  -3.697 -13.738
  607   1HB   ARG  79          1HB       ARG  79  -2.718  -5.803 -14.324
  608   2HB   ARG  79          1HB       ARG  79  -3.387  -4.589 -15.399
  609   1HG   ARG  79          1HG       ARG  79  -1.314  -6.671 -16.051
  610   2HG   ARG  79          1HG       ARG  79  -2.965  -6.567 -16.653
  611   1HD   ARG  79          1HD       ARG  79  -1.121  -4.293 -17.165
  612   2HD   ARG  79          1HD       ARG  79  -0.913  -5.760 -18.098
  613    HE   ARG  79           HE       ARG  79  -3.512  -5.327 -18.433
  614   1HH1  ARG  79          1HH1      ARG  79  -0.837  -3.082 -18.612
  615   2HH1  ARG  79          2HH1      ARG  79  -1.598  -2.079 -19.799
  616   1HH2  ARG  79          1HH2      ARG  79  -4.504  -4.004 -20.006
  617   2HH2  ARG  79          2HH2      ARG  79  -3.673  -2.601 -20.590
  618    H    SER  80           H        SER  80   0.684  -3.764 -15.919
  619    HA   SER  80           HA       SER  80   2.260  -5.882 -14.627
  620   1HB   SER  80          1HB       SER  80   2.107  -5.634 -17.172
  621   2HB   SER  80          1HB       SER  80   3.059  -4.163 -16.981
  622    HG   SER  80           HG       SER  80   4.266  -6.124 -15.640
  623    H    GLU  81           H        GLU  81   1.742  -2.489 -14.348
  624    HA   GLU  81           HA       GLU  81   4.487  -1.847 -13.763
  625   1HB   GLU  81          1HB       GLU  81   2.730  -0.213 -14.588
  626   2HB   GLU  81          1HB       GLU  81   2.073  -0.243 -12.957
  627   1HG   GLU  81          1HG       GLU  81   3.464   1.653 -13.092
  628   2HG   GLU  81          1HG       GLU  81   4.341   0.454 -12.141
  629    H    GLU  82           H        GLU  82   5.519  -2.030 -11.935
  630    HA   GLU  82           HA       GLU  82   4.466  -3.343  -9.647
  631   1HB   GLU  82          1HB       GLU  82   7.069  -2.523 -10.620
  632   2HB   GLU  82          1HB       GLU  82   6.894  -2.152  -8.911
  633   1HG   GLU  82          1HG       GLU  82   6.167  -4.852  -9.963
  634   2HG   GLU  82          1HG       GLU  82   7.843  -4.441  -9.613
  635    H    PHE  83           H        PHE  83   4.940  -2.280  -7.354
  636    HA   PHE  83           HA       PHE  83   4.620   0.542  -7.284
  637   1HB   PHE  83          1HB       PHE  83   2.230  -1.173  -7.057
  638   2HB   PHE  83          1HB       PHE  83   2.384   0.085  -5.840
  639    HD1  PHE  83          1HD       PHE  83   2.910   2.451  -6.726
  640    HD2  PHE  83          2HD       PHE  83   1.255  -0.654  -9.118
  641    HE1  PHE  83          1HE       PHE  83   2.032   4.128  -8.293
  642    HE2  PHE  83          2HE       PHE  83   0.380   1.021 -10.689
  643    HZ   PHE  83           HZ       PHE  83   0.768   3.416 -10.276
  644    H    LEU  84           H        LEU  84   3.968   1.221  -5.049
  645    HA   LEU  84           HA       LEU  84   5.337  -0.413  -2.993
  646   1HB   LEU  84          1HB       LEU  84   6.751   1.508  -3.767
  647   2HB   LEU  84          1HB       LEU  84   5.515   2.604  -3.190
  648    HG   LEU  84           HG       LEU  84   7.502   2.330  -1.691
  649   1HD1  LEU  84          1HD1      LEU  84   4.696   1.907  -0.810
  650   2HD1  LEU  84          2HD1      LEU  84   5.744   3.299  -0.626
  651   3HD1  LEU  84          3HD1      LEU  84   5.996   1.878   0.377
  652   1HD2  LEU  84          1HD2      LEU  84   7.783   0.393  -0.369
  653   2HD2  LEU  84          2HD2      LEU  84   7.703  -0.143  -2.049
  654   3HD2  LEU  84          3HD2      LEU  84   6.302  -0.334  -0.993
  655    H    ILE  85           H        ILE  85   4.062  -0.860  -1.293
  656    HA   ILE  85           HA       ILE  85   1.761   0.941  -0.837
  657    HB   ILE  85           HB       ILE  85   1.772  -2.085  -0.669
  658   1HG1  ILE  85          1HG1      ILE  85   1.875  -1.249  -2.978
  659   2HG1  ILE  85          1HG1      ILE  85   0.318  -1.998  -2.642
  660   1HG2  ILE  85          1HG2      ILE  85  -0.465  -0.083  -0.271
  661   2HG2  ILE  85          2HG2      ILE  85   0.225  -1.156   0.945
  662   3HG2  ILE  85          3HG2      ILE  85  -0.688  -1.827  -0.404
  663   1HD1  ILE  85          1HD1      ILE  85  -0.187   0.605  -2.055
  664   2HD1  ILE  85          2HD1      ILE  85  -0.521  -0.172  -3.603
  665   3HD1  ILE  85          3HD1      ILE  85   0.968   0.748  -3.381
  666    H    ALA  86           H        ALA  86   1.959   1.858   1.011
  667    HA   ALA  86           HA       ALA  86   2.973   0.454   3.449
  668   1HB   ALA  86          1HB       ALA  86   3.112   2.685   4.531
  669   2HB   ALA  86          2HB       ALA  86   2.589   3.436   3.026
  670   3HB   ALA  86          3HB       ALA  86   4.134   2.590   3.097
  671    H    GLY  87           H        GLY  87   1.332  -0.407   4.627
  672   1HA   GLY  87          2HA       GLY  87  -1.015   1.134   5.281
  673   2HA   GLY  87          1HA       GLY  87  -1.376  -0.188   4.192
  674    H    LYS  88           H        LYS  88  -1.872   0.559   7.199
  675    HA   LYS  88           HA       LYS  88  -0.897  -1.791   8.587
  676   1HB   LYS  88          1HB       LYS  88  -0.943   0.328   9.812
  677   2HB   LYS  88          1HB       LYS  88  -2.653   0.520   9.474
  678   1HG   LYS  88          1HG       LYS  88  -3.079  -1.533  10.833
  679   2HG   LYS  88          1HG       LYS  88  -1.383  -1.524  11.269
  680   1HD   LYS  88          1HD       LYS  88  -2.231  -0.390  13.041
  681   2HD   LYS  88          1HD       LYS  88  -1.900   0.956  11.949
  682   1HE   LYS  88          1HE       LYS  88  -4.549  -0.419  11.874
  683   2HE   LYS  88          1HE       LYS  88  -4.216   0.777  13.125
  684   1HZ   LYS  88          1HZ       LYS  88  -4.856   2.265  11.619
  685   2HZ   LYS  88          2HZ       LYS  88  -4.779   1.157  10.343
  686   3HZ   LYS  88          3HZ       LYS  88  -3.384   1.982  10.833
  687    H    LEU  89           H        LEU  89  -2.397  -3.247   9.710
  688    HA   LEU  89           HA       LEU  89  -4.503  -4.164   8.038
  689   1HB   LEU  89          1HB       LEU  89  -3.116  -5.102  10.466
  690   2HB   LEU  89          1HB       LEU  89  -4.749  -5.697  10.234
  691    HG   LEU  89           HG       LEU  89  -2.545  -5.953   8.217
  692   1HD1  LEU  89          1HD1      LEU  89  -2.454  -7.248  10.498
  693   2HD1  LEU  89          2HD1      LEU  89  -2.076  -8.062   8.980
  694   3HD1  LEU  89          3HD1      LEU  89  -3.667  -8.261   9.714
  695   1HD2  LEU  89          1HD2      LEU  89  -4.247  -7.777   7.439
  696   2HD2  LEU  89          2HD2      LEU  89  -4.436  -6.093   6.948
  697   3HD2  LEU  89          3HD2      LEU  89  -5.405  -6.740   8.272
  698    H    GLN  90           H        GLN  90  -6.656  -4.537   8.500
  699    HA   GLN  90           HA       GLN  90  -7.832  -3.197  10.815
  700   1HB   GLN  90          1HB       GLN  90  -8.028  -2.063   8.361
  701   2HB   GLN  90          1HB       GLN  90  -9.424  -3.134   8.319
  702   1HG   GLN  90          1HG       GLN  90 -10.392  -1.282   9.206
  703   2HG   GLN  90          1HG       GLN  90  -9.865  -2.073  10.690
  704   1HE2  GLN  90          1HE2      GLN  90  -7.673  -1.420  11.475
  705   2HE2  GLN  90          2HE2      GLN  90  -7.244   0.247  11.332
  706    H    ASP  91           H        ASP  91  -8.603  -4.865  11.961
  707    HA   ASP  91           HA       ASP  91  -9.378  -6.952  12.443
  708   1HB   ASP  91          1HB       ASP  91 -11.349  -5.628  10.630
  709   2HB   ASP  91          1HB       ASP  91 -11.664  -7.268  11.191
  710    H    GLY  92           H        GLY  92  -7.438  -7.024  10.190
  711   1HA   GLY  92          2HA       GLY  92  -6.749  -9.243   9.423
  712   2HA   GLY  92          1HA       GLY  92  -8.427  -9.563   9.049
  713    H    LEU  93           H        LEU  93  -8.115  -6.526   7.899
  714    HA   LEU  93           HA       LEU  93  -7.108  -7.509   5.302
  715   1HB   LEU  93          1HB       LEU  93  -9.329  -5.531   5.808
  716   2HB   LEU  93          1HB       LEU  93  -8.652  -5.891   4.238
  717    HG   LEU  93           HG       LEU  93 -10.686  -7.089   4.404
  718   1HD1  LEU  93          1HD1      LEU  93  -8.689  -8.279   3.455
  719   2HD1  LEU  93          2HD1      LEU  93  -9.996  -9.321   4.018
  720   3HD1  LEU  93          3HD1      LEU  93  -8.546  -9.115   5.002
  721   1HD2  LEU  93          1HD2      LEU  93 -10.546  -8.928   6.405
  722   2HD2  LEU  93          2HD2      LEU  93 -11.441  -7.411   6.480
  723   3HD2  LEU  93          3HD2      LEU  93  -9.822  -7.512   7.162
  724    H    LEU  94           H        LEU  94  -5.901  -6.085   3.987
  725    HA   LEU  94           HA       LEU  94  -4.256  -4.288   5.401
  726   1HB   LEU  94          1HB       LEU  94  -3.515  -5.497   3.405
  727   2HB   LEU  94          1HB       LEU  94  -4.662  -4.605   2.427
  728    HG   LEU  94           HG       LEU  94  -3.434  -2.502   3.033
  729   1HD1  LEU  94          1HD1      LEU  94  -2.023  -2.609   4.748
  730   2HD1  LEU  94          2HD1      LEU  94  -0.919  -3.474   3.679
  731   3HD1  LEU  94          3HD1      LEU  94  -2.016  -4.373   4.728
  732   1HD2  LEU  94          1HD2      LEU  94  -2.442  -4.708   1.364
  733   2HD2  LEU  94          2HD2      LEU  94  -1.271  -3.440   1.716
  734   3HD2  LEU  94          3HD2      LEU  94  -2.802  -3.039   0.940
  735    H    HIS  95           H        HIS  95  -4.095  -2.051   5.196
  736    HA   HIS  95           HA       HIS  95  -6.413  -0.681   4.067
  737   1HB   HIS  95          1HB       HIS  95  -5.655  -0.614   6.944
  738   2HB   HIS  95          1HB       HIS  95  -6.276   0.858   6.207
  739    HD1  HIS  95          1HD       HIS  95  -8.601   0.974   7.131
  740    HD2  HIS  95          2HD       HIS  95  -7.691  -2.786   5.625
  741    HE1  HIS  95          1HE       HIS  95 -10.763  -0.314   7.167
  742    HE2  HIS  95          2HE       HIS  95 -10.179  -2.592   6.267
  743    H    ILE  96           H        ILE  96  -6.061   1.223   3.185
  744    HA   ILE  96           HA       ILE  96  -3.572   2.660   3.641
  745    HB   ILE  96           HB       ILE  96  -2.788   2.640   1.338
  746   1HG1  ILE  96          1HG1      ILE  96  -4.977   2.251   0.247
  747   2HG1  ILE  96          1HG1      ILE  96  -3.719   1.176  -0.350
  748   1HG2  ILE  96          1HG2      ILE  96  -2.619  -0.131   1.347
  749   2HG2  ILE  96          2HG2      ILE  96  -2.812   0.306   3.035
  750   3HG2  ILE  96          3HG2      ILE  96  -1.499   1.000   2.102
  751   1HD1  ILE  96          1HD1      ILE  96  -6.221   0.438   0.503
  752   2HD1  ILE  96          2HD1      ILE  96  -5.178   0.015   1.859
  753   3HD1  ILE  96          3HD1      ILE  96  -4.837  -0.614   0.264
  754    H    THR  97           H        THR  97  -3.478   4.660   2.126
  755    HA   THR  97           HA       THR  97  -5.925   5.498   0.972
  756    HB   THR  97           HB       THR  97  -5.944   7.593   2.577
  757    HG1  THR  97          1HG       THR  97  -5.095   7.280   4.495
  758   1HG2  THR  97          1HG2      THR  97  -7.787   6.772   3.629
  759   2HG2  THR  97          2HG2      THR  97  -7.076   5.175   3.871
  760   3HG2  THR  97          3HG2      THR  97  -7.667   5.647   2.281
  761    H    THR  98           H        THR  98  -5.803   7.794   0.247
  762    HA   THR  98           HA       THR  98  -3.422   8.220  -1.204
  763    HB   THR  98           HB       THR  98  -4.495  10.210  -2.040
  764    HG1  THR  98          1HG       THR  98  -6.004  11.242  -0.973
  765   1HG2  THR  98          1HG2      THR  98  -5.874   8.986  -3.249
  766   2HG2  THR  98          2HG2      THR  98  -6.992   8.851  -1.891
  767   3HG2  THR  98          3HG2      THR  98  -5.691   7.675  -2.084
  768    H    CYS  99           H        CYS  99  -3.789   8.586   1.977
  769    HA   CYS  99           HA       CYS  99  -1.852  10.788   2.091
  770   1HB   CYS  99          1HB       CYS  99  -4.272  10.342   3.792
  771   2HB   CYS  99          1HB       CYS  99  -2.832  11.064   4.517
  772    H    SER 100           H        SER 100  -1.844   7.785   1.980
  773    HA   SER 100           HA       SER 100  -0.128   7.267   4.324
  774   1HB   SER 100          1HB       SER 100  -2.317   5.793   3.729
  775   2HB   SER 100          1HB       SER 100  -1.160   5.015   2.650
  776    HG   SER 100           HG       SER 100  -0.209   4.139   4.310
  777    H    PHE 101           H        PHE 101   1.897   5.983   3.663
  778    HA   PHE 101           HA       PHE 101   2.872   7.088   1.245
  779   1HB   PHE 101          1HB       PHE 101   4.266   6.455   3.247
  780   2HB   PHE 101          1HB       PHE 101   4.141   4.784   2.710
  781    HD1  PHE 101          1HD       PHE 101   6.222   7.492   2.752
  782    HD2  PHE 101          2HD       PHE 101   4.668   4.629   0.025
  783    HE1  PHE 101          1HE       PHE 101   8.159   7.853   1.277
  784    HE2  PHE 101          2HE       PHE 101   6.604   4.977  -1.453
  785    HZ   PHE 101           HZ       PHE 101   8.353   6.592  -0.828
  786    H    VAL 102           H        VAL 102   1.924   6.452  -0.653
  787    HA   VAL 102           HA       VAL 102   2.172   3.633  -1.370
  788    HB   VAL 102           HB       VAL 102  -0.484   5.049  -1.646
  789   1HG1  VAL 102          1HG1      VAL 102  -0.370   3.473  -3.352
  790   2HG1  VAL 102          2HG1      VAL 102  -1.201   2.614  -2.054
  791   3HG1  VAL 102          3HG1      VAL 102   0.513   2.324  -2.353
  792   1HG2  VAL 102          1HG2      VAL 102   0.607   3.322   0.505
  793   2HG2  VAL 102          2HG2      VAL 102  -1.066   3.063   0.022
  794   3HG2  VAL 102          3HG2      VAL 102  -0.550   4.648   0.595
  795    H    ALA 103           H        ALA 103   3.496   3.949  -3.072
  796    HA   ALA 103           HA       ALA 103   2.373   5.060  -5.490
  797   1HB   ALA 103          1HB       ALA 103   4.922   6.395  -5.024
  798   2HB   ALA 103          2HB       ALA 103   3.657   6.875  -3.893
  799   3HB   ALA 103          3HB       ALA 103   3.396   7.040  -5.630
  800    HA   PRO 104           HA       PRO 104   5.141   2.491  -7.862
  801   1HB   PRO 104          1HB       PRO 104   6.705   4.875  -8.698
  802   2HB   PRO 104          1HB       PRO 104   6.057   3.560  -9.683
  803   1HG   PRO 104          1HG       PRO 104   4.845   5.922  -9.660
  804   2HG   PRO 104          1HG       PRO 104   3.873   4.436  -9.606
  805   1HD   PRO 104          1HD       PRO 104   4.535   6.352  -7.401
  806   2HD   PRO 104          1HD       PRO 104   3.037   5.450  -7.693
  807    H    TRP 105           H        TRP 105   6.696   1.253  -6.994
  808    HA   TRP 105           HA       TRP 105   8.665   1.992  -5.193
  809   1HB   TRP 105          1HB       TRP 105   8.031  -0.311  -6.039
  810   2HB   TRP 105          1HB       TRP 105   8.899   0.040  -7.501
  811    HD1  TRP 105           HD       TRP 105  11.062  -1.216  -7.524
  812    HE1  TRP 105          1HE       TRP 105  12.846  -1.851  -5.800
  813    HE3  TRP 105          3HE       TRP 105   8.951   0.882  -3.379
  814    HZ2  TRP 105          2HZ       TRP 105  13.305  -1.514  -3.037
  815    HZ3  TRP 105          3HZ       TRP 105  10.130   0.693  -1.232
  816    HH2  TRP 105           HH       TRP 105  12.268  -0.476  -1.071
  817    H    ASN 106           H        ASN 106   8.685   1.569  -8.607
  818    HA   ASN 106           HA       ASN 106  11.129   2.412  -9.218
  819   1HB   ASN 106          1HB       ASN 106   8.648   2.317 -10.822
  820   2HB   ASN 106          1HB       ASN 106  10.101   3.013 -11.538
  821   1HD2  ASN 106          1HD2      ASN 106   8.386   0.271 -11.349
  822   2HD2  ASN 106          2HD2      ASN 106   9.638  -0.899 -11.566
  823    H    SER 107           H        SER 107   8.781   4.431  -8.030
  824    HA   SER 107           HA       SER 107   9.953   6.810  -9.228
  825   1HB   SER 107          1HB       SER 107   7.463   6.628  -9.060
  826   2HB   SER 107          1HB       SER 107   7.634   6.669  -7.305
  827    HG   SER 107           HG       SER 107   8.226   8.698  -9.179
  828    H    LEU 108           H        LEU 108  10.120   4.969  -6.553
  829    HA   LEU 108           HA       LEU 108  10.932   6.851  -4.576
  830   1HB   LEU 108          1HB       LEU 108  10.991   3.942  -4.917
  831   2HB   LEU 108          1HB       LEU 108  11.995   4.612  -3.664
  832    HG   LEU 108           HG       LEU 108   9.842   5.753  -2.834
  833   1HD1  LEU 108          1HD1      LEU 108   8.796   3.780  -4.826
  834   2HD1  LEU 108          2HD1      LEU 108   8.308   5.451  -4.555
  835   3HD1  LEU 108          3HD1      LEU 108   7.856   4.201  -3.395
  836   1HD2  LEU 108          1HD2      LEU 108  10.360   4.222  -1.296
  837   2HD2  LEU 108          2HD2      LEU 108  10.896   3.064  -2.514
  838   3HD2  LEU 108          3HD2      LEU 108   9.187   3.178  -2.098
  839    H    SER 109           H        SER 109  12.968   6.549  -3.484
  840    HA   SER 109           HA       SER 109  15.164   7.039  -5.280
  841   1HB   SER 109          1HB       SER 109  15.436   6.689  -2.325
  842   2HB   SER 109          1HB       SER 109  16.478   7.590  -3.407
  843    HG   SER 109           HG       SER 109  13.829   8.260  -2.632
  844    H    LEU 110           H        LEU 110  16.934   5.990  -5.438
  845    HA   LEU 110           HA       LEU 110  16.719   3.216  -5.792
  846   1HB   LEU 110          1HB       LEU 110  19.034   3.369  -6.409
  847   2HB   LEU 110          1HB       LEU 110  18.189   4.770  -7.037
  848    HG   LEU 110           HG       LEU 110  20.197   5.587  -6.225
  849   1HD1  LEU 110          1HD1      LEU 110  17.885   6.414  -4.878
  850   2HD1  LEU 110          2HD1      LEU 110  19.309   7.340  -5.304
  851   3HD1  LEU 110          3HD1      LEU 110  19.245   6.482  -3.767
  852   1HD2  LEU 110          1HD2      LEU 110  20.706   5.074  -3.674
  853   2HD2  LEU 110          2HD2      LEU 110  21.294   4.063  -4.996
  854   3HD2  LEU 110          3HD2      LEU 110  19.843   3.601  -4.114
  855    H    ALA 111           H        ALA 111  17.795   5.314  -3.275
  856    HA   ALA 111           HA       ALA 111  18.993   3.253  -1.720
  857   1HB   ALA 111          1HB       ALA 111  19.952   4.925  -0.579
  858   2HB   ALA 111          2HB       ALA 111  18.418   5.770  -0.362
  859   3HB   ALA 111          3HB       ALA 111  19.329   5.964  -1.860
  860    H    GLN 112           H        GLN 112  15.945   5.002  -1.977
  861    HA   GLN 112           HA       GLN 112  14.817   3.977   0.473
  862   1HB   GLN 112          1HB       GLN 112  13.397   5.138  -1.939
  863   2HB   GLN 112          1HB       GLN 112  12.780   5.038  -0.295
  864   1HG   GLN 112          1HG       GLN 112  14.978   6.809  -1.274
  865   2HG   GLN 112          1HG       GLN 112  13.318   7.286  -0.970
  866   1HE2  GLN 112          1HE2      GLN 112  13.198   8.449   0.780
  867   2HE2  GLN 112          2HE2      GLN 112  14.073   8.193   2.246
  868    H    ARG 113           H        ARG 113  15.663   2.782  -2.397
  869    HA   ARG 113           HA       ARG 113  13.452   0.960  -2.773
  870   1HB   ARG 113          1HB       ARG 113  15.505   2.015  -4.371
  871   2HB   ARG 113          1HB       ARG 113  15.934   0.321  -4.137
  872   1HG   ARG 113          1HG       ARG 113  14.559  -0.138  -5.815
  873   2HG   ARG 113          1HG       ARG 113  13.246   0.276  -4.725
  874   1HD   ARG 113          1HD       ARG 113  12.717   2.047  -5.904
  875   2HD   ARG 113          1HD       ARG 113  14.379   2.663  -5.790
  876    HE   ARG 113           HE       ARG 113  14.327   0.641  -7.717
  877   1HH1  ARG 113          1HH1      ARG 113  13.025   3.843  -7.240
  878   2HH1  ARG 113          2HH1      ARG 113  12.999   4.217  -8.930
  879   1HH2  ARG 113          1HH2      ARG 113  14.297   1.128  -9.931
  880   2HH2  ARG 113          2HH2      ARG 113  13.722   2.674 -10.461
  881    H    ARG 114           H        ARG 114  16.724   1.282  -1.528
  882    HA   ARG 114           HA       ARG 114  16.934  -1.426  -0.522
  883   1HB   ARG 114          1HB       ARG 114  18.547   1.090  -0.217
  884   2HB   ARG 114          1HB       ARG 114  18.812  -0.263   0.871
  885   1HG   ARG 114          1HG       ARG 114  20.060   0.134  -1.535
  886   2HG   ARG 114          1HG       ARG 114  19.978  -1.396  -0.648
  887   1HD   ARG 114          1HD       ARG 114  17.894  -1.929  -1.798
  888   2HD   ARG 114          1HD       ARG 114  18.025  -0.421  -2.700
  889    HE   ARG 114           HE       ARG 114  20.207  -2.360  -2.931
  890   1HH1  ARG 114          1HH1      ARG 114  17.423  -0.823  -4.369
  891   2HH1  ARG 114          2HH1      ARG 114  17.814  -1.332  -5.974
  892   1HH2  ARG 114          1HH2      ARG 114  20.712  -3.043  -5.041
  893   2HH2  ARG 114          2HH2      ARG 114  19.679  -2.594  -6.356
  894    H    GLY 115           H        GLY 115  15.987   1.720   0.362
  895   1HA   GLY 115          2HA       GLY 115  15.981   1.392   3.089
  896   2HA   GLY 115          1HA       GLY 115  15.040   2.590   2.226
  897    H    PHE 116           H        PHE 116  13.071   1.245   0.998
  898    HA   PHE 116           HA       PHE 116  11.723   0.390   3.337
  899   1HB   PHE 116          1HB       PHE 116  10.900   0.149   0.399
  900   2HB   PHE 116          1HB       PHE 116   9.846  -0.326   1.726
  901    HD1  PHE 116          1HD       PHE 116  11.951   2.645   0.890
  902    HD2  PHE 116          2HD       PHE 116   8.181   1.165   2.146
  903    HE1  PHE 116          1HE       PHE 116  11.085   4.939   0.983
  904    HE2  PHE 116          2HE       PHE 116   7.310   3.452   2.266
  905    HZ   PHE 116           HZ       PHE 116   8.763   5.335   1.667
  906    H    THR 117           H        THR 117  13.845  -1.134   1.319
  907    HA   THR 117           HA       THR 117  12.813  -3.833   1.633
  908    HB   THR 117           HB       THR 117  14.134  -2.815  -0.411
  909    HG1  THR 117          1HG       THR 117  13.414  -4.937  -0.353
  910   1HG2  THR 117          1HG2      THR 117  16.517  -3.908  -0.173
  911   2HG2  THR 117          2HG2      THR 117  16.305  -3.402   1.502
  912   3HG2  THR 117          3HG2      THR 117  16.198  -2.230   0.207
  913    H    LYS 118           H        LYS 118  15.010  -1.610   3.087
  914    HA   LYS 118           HA       LYS 118  15.696  -3.619   5.102
  915   1HB   LYS 118          1HB       LYS 118  17.801  -3.718   4.414
  916   2HB   LYS 118          1HB       LYS 118  17.389  -2.679   3.068
  917   1HG   LYS 118          1HG       LYS 118  17.981  -0.719   4.372
  918   2HG   LYS 118          1HG       LYS 118  18.365  -1.746   5.758
  919   1HD   LYS 118          1HD       LYS 118  20.343  -2.407   4.883
  920   2HD   LYS 118          1HD       LYS 118  19.704  -2.482   3.241
  921   1HE   LYS 118          1HE       LYS 118  19.786   0.005   3.163
  922   2HE   LYS 118          1HE       LYS 118  20.576  -0.014   4.739
  923   1HZ   LYS 118          1HZ       LYS 118  22.176  -1.653   3.456
  924   2HZ   LYS 118          2HZ       LYS 118  22.393   0.023   3.404
  925   3HZ   LYS 118          3HZ       LYS 118  21.631  -0.769   2.119
  926    H    THR 119           H        THR 119  15.716  -0.206   4.240
  927    HA   THR 119           HA       THR 119  16.603   0.805   6.681
  928    HB   THR 119           HB       THR 119  15.781   2.955   5.948
  929    HG1  THR 119          1HG       THR 119  14.685   1.672   3.792
  930   1HG2  THR 119          1HG2      THR 119  17.413   1.282   4.070
  931   2HG2  THR 119          2HG2      THR 119  17.907   2.660   5.056
  932   3HG2  THR 119          3HG2      THR 119  16.957   2.926   3.595
  933    H    TYR 120           H        TYR 120  13.098   0.582   5.669
  934    HA   TYR 120           HA       TYR 120  12.744   2.013   8.116
  935   1HB   TYR 120          1HB       TYR 120  10.629   1.593   6.067
  936   2HB   TYR 120          1HB       TYR 120  10.700   2.781   7.351
  937    HD1  TYR 120          1HD       TYR 120  11.581   2.073   3.949
  938    HD2  TYR 120          2HD       TYR 120  12.406   4.606   7.259
  939    HE1  TYR 120          1HE       TYR 120  12.625   3.710   2.440
  940    HE2  TYR 120          2HE       TYR 120  13.449   6.235   5.762
  941    HH   TYR 120           HH       TYR 120  13.039   6.195   2.468
  942    H    THR 121           H        THR 121  13.221  -0.795   8.150
  943    HA   THR 121           HA       THR 121  10.730  -1.816   9.267
  944    HB   THR 121           HB       THR 121  11.578  -3.291   7.683
  945    HG1  THR 121          1HG       THR 121  12.056  -5.096   8.865
  946   1HG2  THR 121          1HG2      THR 121  13.694  -3.593   7.094
  947   2HG2  THR 121          2HG2      THR 121  14.227  -3.815   8.761
  948   3HG2  THR 121          3HG2      THR 121  14.038  -2.191   8.105
  949    H    VAL 122           H        VAL 122  13.912  -1.127   9.938
  950    HA   VAL 122           HA       VAL 122  13.623  -1.605  12.852
  951    HB   VAL 122           HB       VAL 122  16.240  -1.746  11.414
  952   1HG1  VAL 122          1HG1      VAL 122  16.468  -3.334  13.593
  953   2HG1  VAL 122          2HG1      VAL 122  15.290  -2.158  14.174
  954   3HG1  VAL 122          3HG1      VAL 122  16.860  -1.614  13.583
  955   1HG2  VAL 122          1HG2      VAL 122  15.591  -3.659  10.470
  956   2HG2  VAL 122          2HG2      VAL 122  14.103  -3.710  11.414
  957   3HG2  VAL 122          3HG2      VAL 122  15.600  -4.354  12.091
  958    H    GLY 123           H        GLY 123  14.811   0.456  10.308
  959   1HA   GLY 123          2HA       GLY 123  15.391   2.544  12.298
  960   2HA   GLY 123          1HA       GLY 123  16.528   2.201  10.998
  961    H    CYS 124           H        CYS 124  13.068   2.192  10.883
  962    HA   CYS 124           HA       CYS 124  12.800   3.479   8.478
  963   1HB   CYS 124          1HB       CYS 124  10.449   3.792   9.098
  964   2HB   CYS 124          1HB       CYS 124  11.087   2.212   9.499
  965    H    GLU 125           H        GLU 125  14.369   5.222   8.712
  966    HA   GLU 125           HA       GLU 125  13.009   7.656   9.657
  967   1HB   GLU 125          1HB       GLU 125  15.616   8.352   9.912
  968   2HB   GLU 125          1HB       GLU 125  14.634   7.717  11.230
  969   1HG   GLU 125          1HG       GLU 125  15.387   5.432  10.568
  970   2HG   GLU 125          1HG       GLU 125  16.539   6.208   9.474
  971    H    GLU 126           H        GLU 126  12.267   7.848   7.503
  972    HA   GLU 126           HA       GLU 126  13.643   7.908   5.174
  973   1HB   GLU 126          1HB       GLU 126  12.030   9.698   4.459
  974   2HB   GLU 126          1HB       GLU 126  11.305   8.290   5.211
  975   1HG   GLU 126          1HG       GLU 126  10.159   9.983   6.223
  976   2HG   GLU 126          1HG       GLU 126  11.440   9.668   7.385
  Start of MODEL   12
    1   1H    CYS   1          1HT       CYS   1  -8.611  14.778   2.960
    2   2H    CYS   1          2HT       CYS   1 -10.079  13.894   2.883
    3   3H    CYS   1          3HT       CYS   1  -9.261  14.326   1.438
    4    HA   CYS   1           HA       CYS   1  -8.027  12.629   3.495
    5   1HB   CYS   1          1HB       CYS   1 -10.238  12.073   1.739
    6   2HB   CYS   1          1HB       CYS   1  -8.873  11.067   1.340
    7    H    THR   2           H        THR   2  -7.467  14.714   1.085
    8    HA   THR   2           HA       THR   2  -5.502  12.939  -0.149
    9    HB   THR   2           HB       THR   2  -7.067  13.761  -1.786
   10    HG1  THR   2          1HG       THR   2  -5.075  15.459  -2.532
   11   1HG2  THR   2          1HG2      THR   2  -7.640  15.864  -0.455
   12   2HG2  THR   2          2HG2      THR   2  -7.605  15.976  -2.214
   13   3HG2  THR   2          3HG2      THR   2  -6.252  16.591  -1.265
   14    H    CYS   3           H        CYS   3  -3.796  13.180   1.172
   15    HA   CYS   3           HA       CYS   3  -2.782  15.870   1.754
   16   1HB   CYS   3          1HB       CYS   3  -1.708  13.304   2.917
   17   2HB   CYS   3          1HB       CYS   3  -1.581  14.934   3.562
   18    H    VAL   4           H        VAL   4  -0.303  15.934   1.833
   19    HA   VAL   4           HA       VAL   4   0.673  14.868  -0.706
   20    HB   VAL   4           HB       VAL   4   2.464  16.409  -0.592
   21   1HG1  VAL   4          1HG1      VAL   4  -0.123  17.575   0.355
   22   2HG1  VAL   4          2HG1      VAL   4   0.593  17.613  -1.256
   23   3HG1  VAL   4          3HG1      VAL   4   1.274  18.603   0.036
   24   1HG2  VAL   4          1HG2      VAL   4   1.743  16.892   2.296
   25   2HG2  VAL   4          2HG2      VAL   4   2.981  17.766   1.392
   26   3HG2  VAL   4          3HG2      VAL   4   3.165  16.038   1.698
   27    HA   PRO   5           HA       PRO   5   3.095  11.502   0.684
   28   1HB   PRO   5          1HB       PRO   5   5.517  13.196   0.204
   29   2HB   PRO   5          1HB       PRO   5   5.218  11.512  -0.239
   30   1HG   PRO   5          1HG       PRO   5   4.987  13.474  -2.039
   31   2HG   PRO   5          1HG       PRO   5   3.896  12.077  -2.046
   32   1HD   PRO   5          1HD       PRO   5   3.351  14.878  -1.282
   33   2HD   PRO   5          1HD       PRO   5   2.230  13.619  -1.822
   34    HA   PRO   6           HA       PRO   6   4.050  13.034   4.866
   35   1HB   PRO   6          1HB       PRO   6   2.919  10.860   6.116
   36   2HB   PRO   6          1HB       PRO   6   2.052  12.340   5.710
   37   1HG   PRO   6          1HG       PRO   6   1.736   9.708   4.583
   38   2HG   PRO   6          1HG       PRO   6   0.789  11.166   4.264
   39   1HD   PRO   6          1HD       PRO   6   2.907   9.949   2.664
   40   2HD   PRO   6          1HD       PRO   6   1.725  11.194   2.213
   41    H    HIS   7           H        HIS   7   5.911  12.686   5.855
   42    HA   HIS   7           HA       HIS   7   7.980  11.353   5.138
   43   1HB   HIS   7          1HB       HIS   7   6.929  11.850   7.870
   44   2HB   HIS   7          1HB       HIS   7   8.378  10.878   7.702
   45    HD1  HIS   7          1HD       HIS   7   8.422  13.648   9.064
   46    HD2  HIS   7          2HD       HIS   7   9.340  12.971   5.069
   47    HE1  HIS   7          1HE       HIS   7   9.879  15.576   8.375
   48    HE2  HIS   7          2HE       HIS   7  10.506  15.092   5.983
   49    HA   PRO   8           HA       PRO   8   7.144   6.948   5.003
   50   1HB   PRO   8          1HB       PRO   8   9.579   6.216   4.206
   51   2HB   PRO   8          1HB       PRO   8   8.483   7.055   3.099
   52   1HG   PRO   8          1HG       PRO   8  10.602   8.224   4.855
   53   2HG   PRO   8          1HG       PRO   8  10.424   8.427   3.101
   54   1HD   PRO   8          1HD       PRO   8   9.508  10.286   4.764
   55   2HD   PRO   8          1HD       PRO   8   8.527   9.791   3.365
   56    H    GLN   9           H        GLN   9   9.215   8.771   6.936
   57    HA   GLN   9           HA       GLN   9  10.433   6.625   8.394
   58   1HB   GLN   9          1HB       GLN   9  10.998   8.391  10.043
   59   2HB   GLN   9          1HB       GLN   9  11.491   8.835   8.421
   60   1HG   GLN   9          1HG       GLN   9  10.457  10.761   8.742
   61   2HG   GLN   9          1HG       GLN   9   8.948   9.857   8.639
   62   1HE2  GLN   9          1HE2      GLN   9  11.164  11.487  10.698
   63   2HE2  GLN   9          2HE2      GLN   9  10.219  11.411  12.142
   64    H    THR  10           H        THR  10   7.510   8.558   8.479
   65    HA   THR  10           HA       THR  10   6.629   7.393  10.965
   66    HB   THR  10           HB       THR  10   6.052   9.763   9.297
   67    HG1  THR  10          1HG       THR  10   6.098  10.725  11.187
   68   1HG2  THR  10          1HG2      THR  10   3.816   8.136   9.917
   69   2HG2  THR  10          2HG2      THR  10   3.860   9.748   9.199
   70   3HG2  THR  10          3HG2      THR  10   3.778   9.561  10.954
   71    H    ALA  11           H        ALA  11   5.858   7.653   7.476
   72    HA   ALA  11           HA       ALA  11   3.539   6.097   7.424
   73   1HB   ALA  11          1HB       ALA  11   5.475   6.056   5.176
   74   2HB   ALA  11          2HB       ALA  11   4.638   7.548   5.612
   75   3HB   ALA  11          3HB       ALA  11   3.713   6.114   5.158
   76    H    PHE  12           H        PHE  12   6.962   5.116   7.097
   77    HA   PHE  12           HA       PHE  12   6.283   2.431   6.517
   78   1HB   PHE  12          1HB       PHE  12   8.606   3.700   6.282
   79   2HB   PHE  12          1HB       PHE  12   8.875   3.020   7.885
   80    HD1  PHE  12          1HD       PHE  12   8.305   2.234   4.346
   81    HD2  PHE  12          2HD       PHE  12   9.178   0.677   8.203
   82    HE1  PHE  12          1HE       PHE  12   8.945   0.086   3.331
   83    HE2  PHE  12          2HE       PHE  12   9.836  -1.467   7.201
   84    HZ   PHE  12           HZ       PHE  12   9.716  -1.768   4.759
   85    H    CYS  13           H        CYS  13   7.663   3.821   9.502
   86    HA   CYS  13           HA       CYS  13   7.227   1.529  10.999
   87   1HB   CYS  13          1HB       CYS  13   8.319   4.185  11.371
   88   2HB   CYS  13          1HB       CYS  13   7.503   3.585  12.808
   89    H    ASN  14           H        ASN  14   4.865   4.139  10.359
   90    HA   ASN  14           HA       ASN  14   3.517   3.498  12.816
   91   1HB   ASN  14          1HB       ASN  14   3.562   5.755  11.332
   92   2HB   ASN  14          1HB       ASN  14   2.192   4.954  10.575
   93   1HD2  ASN  14          1HD2      ASN  14   3.486   6.066  13.648
   94   2HD2  ASN  14          2HD2      ASN  14   1.956   6.348  14.400
   95    H    SER  15           H        SER  15   3.403   2.929   9.314
   96    HA   SER  15           HA       SER  15   1.066   1.460   9.274
   97   1HB   SER  15          1HB       SER  15   3.130   2.235   7.479
   98   2HB   SER  15          1HB       SER  15   2.691   0.567   7.212
   99    HG   SER  15           HG       SER  15   1.035   1.354   6.199
  100    H    ASP  16           H        ASP  16   0.713  -0.368   9.484
  101    HA   ASP  16           HA       ASP  16   2.423  -2.253  10.756
  102   1HB   ASP  16          1HB       ASP  16  -0.439  -1.769  10.460
  103   2HB   ASP  16          1HB       ASP  16   0.032  -3.440  10.741
  104    H    LEU  17           H        LEU  17   2.125  -1.682   7.822
  105    HA   LEU  17           HA       LEU  17   3.422  -3.734   7.039
  106   1HB   LEU  17          1HB       LEU  17   2.213  -5.237   5.597
  107   2HB   LEU  17          1HB       LEU  17   1.900  -5.400   7.300
  108    HG   LEU  17           HG       LEU  17  -0.291  -4.387   6.991
  109   1HD1  LEU  17          1HD1      LEU  17  -0.580  -4.564   4.202
  110   2HD1  LEU  17          2HD1      LEU  17   0.881  -3.621   4.475
  111   3HD1  LEU  17          3HD1      LEU  17  -0.642  -3.111   5.194
  112   1HD2  LEU  17          1HD2      LEU  17  -0.987  -6.282   5.262
  113   2HD2  LEU  17          2HD2      LEU  17  -0.387  -6.687   6.873
  114   3HD2  LEU  17          3HD2      LEU  17   0.703  -6.755   5.481
  115    H    VAL  18           H        VAL  18   4.310  -3.827   5.053
  116    HA   VAL  18           HA       VAL  18   3.424  -1.751   3.188
  117    HB   VAL  18           HB       VAL  18   6.325  -2.089   3.928
  118   1HG1  VAL  18          1HG1      VAL  18   5.759  -1.092   1.746
  119   2HG1  VAL  18          2HG1      VAL  18   6.618   0.028   2.804
  120   3HG1  VAL  18          3HG1      VAL  18   4.877   0.189   2.576
  121   1HG2  VAL  18          1HG2      VAL  18   5.309   0.401   4.916
  122   2HG2  VAL  18          2HG2      VAL  18   6.125  -0.892   5.792
  123   3HG2  VAL  18          3HG2      VAL  18   4.372  -0.919   5.610
  124    H    ILE  19           H        ILE  19   3.725  -2.368   1.038
  125    HA   ILE  19           HA       ILE  19   5.534  -4.549   0.457
  126    HB   ILE  19           HB       ILE  19   3.630  -5.773  -0.610
  127   1HG1  ILE  19          1HG1      ILE  19   1.720  -4.394   1.192
  128   2HG1  ILE  19          1HG1      ILE  19   2.200  -3.535  -0.268
  129   1HG2  ILE  19          1HG2      ILE  19   4.536  -5.899   1.968
  130   2HG2  ILE  19          2HG2      ILE  19   3.507  -7.075   1.176
  131   3HG2  ILE  19          3HG2      ILE  19   2.787  -5.814   2.161
  132   1HD1  ILE  19          1HD1      ILE  19   1.006  -6.288  -0.175
  133   2HD1  ILE  19          2HD1      ILE  19   1.451  -5.395  -1.628
  134   3HD1  ILE  19          3HD1      ILE  19   0.148  -4.807  -0.594
  135    H    ARG  20           H        ARG  20   5.810  -4.905  -1.707
  136    HA   ARG  20           HA       ARG  20   4.915  -2.728  -3.454
  137   1HB   ARG  20          1HB       ARG  20   6.713  -3.204  -4.975
  138   2HB   ARG  20          1HB       ARG  20   7.358  -3.037  -3.352
  139   1HG   ARG  20          1HG       ARG  20   8.277  -5.037  -3.455
  140   2HG   ARG  20          1HG       ARG  20   6.733  -5.776  -3.871
  141   1HD   ARG  20          1HD       ARG  20   7.654  -6.228  -5.848
  142   2HD   ARG  20          1HD       ARG  20   7.497  -4.514  -6.205
  143    HE   ARG  20           HE       ARG  20   9.916  -5.181  -4.817
  144   1HH1  ARG  20          1HH1      ARG  20   8.370  -4.970  -7.933
  145   2HH1  ARG  20          2HH1      ARG  20   9.858  -4.845  -8.808
  146   1HH2  ARG  20          1HH2      ARG  20  11.884  -5.046  -5.963
  147   2HH2  ARG  20          2HH2      ARG  20  11.858  -4.890  -7.688
  148    H    ALA  21           H        ALA  21   3.660  -2.995  -4.953
  149    HA   ALA  21           HA       ALA  21   3.058  -5.560  -6.218
  150   1HB   ALA  21          1HB       ALA  21   0.751  -5.720  -5.567
  151   2HB   ALA  21          2HB       ALA  21   0.878  -4.219  -4.650
  152   3HB   ALA  21          3HB       ALA  21   1.777  -5.645  -4.133
  153    H    LYS  22           H        LYS  22   1.087  -5.507  -7.438
  154    HA   LYS  22           HA       LYS  22   0.764  -3.138  -9.153
  155   1HB   LYS  22          1HB       LYS  22   1.316  -5.981  -9.777
  156   2HB   LYS  22          1HB       LYS  22   0.091  -5.218 -10.772
  157   1HG   LYS  22          1HG       LYS  22   1.668  -4.235 -11.985
  158   2HG   LYS  22          1HG       LYS  22   2.361  -3.511 -10.538
  159   1HD   LYS  22          1HD       LYS  22   4.053  -4.826 -11.627
  160   2HD   LYS  22          1HD       LYS  22   3.597  -5.609 -10.122
  161   1HE   LYS  22          1HE       LYS  22   1.903  -6.865 -11.733
  162   2HE   LYS  22          1HE       LYS  22   3.145  -6.466 -12.915
  163   1HZ   LYS  22          1HZ       LYS  22   4.570  -7.435 -10.826
  164   2HZ   LYS  22          2HZ       LYS  22   4.154  -8.302 -12.216
  165   3HZ   LYS  22          3HZ       LYS  22   3.198  -8.423 -10.827
  166    H    PHE  23           H        PHE  23  -1.394  -2.815  -9.913
  167    HA   PHE  23           HA       PHE  23  -3.474  -4.242  -8.355
  168   1HB   PHE  23          1HB       PHE  23  -3.370  -1.596  -9.773
  169   2HB   PHE  23          1HB       PHE  23  -4.927  -2.382  -9.539
  170    HD1  PHE  23          1HD       PHE  23  -1.903  -1.295  -7.656
  171    HD2  PHE  23          2HD       PHE  23  -6.095  -2.036  -7.586
  172    HE1  PHE  23          1HE       PHE  23  -2.023  -0.377  -5.377
  173    HE2  PHE  23          2HE       PHE  23  -6.217  -1.118  -5.307
  174    HZ   PHE  23           HZ       PHE  23  -4.185  -0.290  -4.196
  175    H    VAL  24           H        VAL  24  -4.620  -5.718  -9.136
  176    HA   VAL  24           HA       VAL  24  -4.942  -5.908 -12.029
  177    HB   VAL  24           HB       VAL  24  -4.785  -8.421 -11.559
  178   1HG1  VAL  24          1HG1      VAL  24  -3.270  -7.016 -12.956
  179   2HG1  VAL  24          2HG1      VAL  24  -2.550  -8.472 -12.275
  180   3HG1  VAL  24          3HG1      VAL  24  -2.221  -6.901 -11.543
  181   1HG2  VAL  24          1HG2      VAL  24  -4.263  -7.574  -9.006
  182   2HG2  VAL  24          2HG2      VAL  24  -2.709  -8.075  -9.655
  183   3HG2  VAL  24          3HG2      VAL  24  -4.054  -9.200  -9.655
  184    H    GLY  25           H        GLY  25  -6.881  -4.892 -10.306
  185   1HA   GLY  25          2HA       GLY  25  -9.109  -6.504 -10.979
  186   2HA   GLY  25          1HA       GLY  25  -8.798  -6.623  -9.260
  187    H    THR  26           H        THR  26 -11.164  -5.567 -10.186
  188    HA   THR  26           HA       THR  26 -11.001  -2.684 -10.173
  189    HB   THR  26           HB       THR  26 -13.485  -4.384 -10.145
  190    HG1  THR  26          1HG       THR  26 -13.237  -4.399 -12.454
  191   1HG2  THR  26          1HG2      THR  26 -14.052  -2.099 -10.102
  192   2HG2  THR  26          2HG2      THR  26 -14.264  -2.639 -11.764
  193   3HG2  THR  26          3HG2      THR  26 -12.840  -1.700 -11.321
  194    HA   PRO  27           HA       PRO  27 -11.972  -2.251  -5.878
  195   1HB   PRO  27          1HB       PRO  27 -12.651   0.320  -5.763
  196   2HB   PRO  27          1HB       PRO  27 -11.010  -0.191  -6.170
  197   1HG   PRO  27          1HG       PRO  27 -13.202   0.749  -7.967
  198   2HG   PRO  27          1HG       PRO  27 -11.471   1.104  -8.034
  199   1HD   PRO  27          1HD       PRO  27 -12.765  -0.783  -9.572
  200   2HD   PRO  27          1HD       PRO  27 -11.030  -0.768  -9.250
  201    H    GLU  28           H        GLU  28 -13.571  -2.810  -4.628
  202    HA   GLU  28           HA       GLU  28 -16.319  -2.431  -5.593
  203   1HB   GLU  28          1HB       GLU  28 -14.976  -4.547  -4.213
  204   2HB   GLU  28          1HB       GLU  28 -16.317  -3.986  -3.223
  205   1HG   GLU  28          1HG       GLU  28 -17.857  -4.332  -5.062
  206   2HG   GLU  28          1HG       GLU  28 -16.525  -4.822  -6.108
  207    H    VAL  29           H        VAL  29 -17.211  -0.570  -4.968
  208    HA   VAL  29           HA       VAL  29 -16.617   0.435  -2.278
  209    HB   VAL  29           HB       VAL  29 -18.131   1.998  -4.332
  210   1HG1  VAL  29          1HG1      VAL  29 -16.221   3.165  -2.388
  211   2HG1  VAL  29          2HG1      VAL  29 -17.762   2.559  -1.784
  212   3HG1  VAL  29          3HG1      VAL  29 -17.729   3.815  -3.023
  213   1HG2  VAL  29          1HG2      VAL  29 -16.352   2.343  -5.617
  214   2HG2  VAL  29          2HG2      VAL  29 -15.539   1.044  -4.747
  215   3HG2  VAL  29          3HG2      VAL  29 -15.349   2.714  -4.222
  216    H    ASN  30           H        ASN  30 -18.105  -0.515  -0.788
  217    HA   ASN  30           HA       ASN  30 -20.867  -0.751  -1.521
  218   1HB   ASN  30          1HB       ASN  30 -19.488  -1.955   0.442
  219   2HB   ASN  30          1HB       ASN  30 -20.172  -0.614   1.360
  220   1HD2  ASN  30          1HD2      ASN  30 -22.269  -0.634   1.926
  221   2HD2  ASN  30          2HD2      ASN  30 -23.388  -1.877   1.506
  222    H    GLN  31           H        GLN  31 -22.562   0.388  -0.604
  223    HA   GLN  31           HA       GLN  31 -22.071   3.249  -0.438
  224   1HB   GLN  31          1HB       GLN  31 -24.712   1.823  -0.210
  225   2HB   GLN  31          1HB       GLN  31 -24.463   3.508  -0.652
  226   1HG   GLN  31          1HG       GLN  31 -24.151   1.028  -2.267
  227   2HG   GLN  31          1HG       GLN  31 -24.954   2.538  -2.685
  228   1HE2  GLN  31          1HE2      GLN  31 -22.682   4.192  -1.884
  229   2HE2  GLN  31          2HE2      GLN  31 -21.467   3.976  -3.094
  230    H    THR  32           H        THR  32 -22.128   0.726   1.698
  231    HA   THR  32           HA       THR  32 -22.633   2.533   3.924
  232    HB   THR  32           HB       THR  32 -24.294   0.270   2.996
  233    HG1  THR  32          1HG       THR  32 -24.787   2.619   3.331
  234   1HG2  THR  32          1HG2      THR  32 -25.007  -0.637   4.973
  235   2HG2  THR  32          2HG2      THR  32 -24.321   0.659   5.951
  236   3HG2  THR  32          3HG2      THR  32 -23.269  -0.554   5.223
  237    H    THR  33           H        THR  33 -20.202   1.519   2.923
  238    HA   THR  33           HA       THR  33 -19.408  -0.474   4.921
  239    HB   THR  33           HB       THR  33 -18.414  -1.236   3.015
  240    HG1  THR  33          1HG       THR  33 -16.281  -0.521   2.906
  241   1HG2  THR  33          1HG2      THR  33 -19.169   1.126   1.817
  242   2HG2  THR  33          2HG2      THR  33 -18.333  -0.210   1.040
  243   3HG2  THR  33          3HG2      THR  33 -17.415   1.130   1.709
  244    H    LEU  34           H        LEU  34 -18.367   2.503   3.248
  245    HA   LEU  34           HA       LEU  34 -17.454   4.379   4.317
  246   1HB   LEU  34          1HB       LEU  34 -17.398   2.553   6.605
  247   2HB   LEU  34          1HB       LEU  34 -16.010   3.571   6.451
  248    HG   LEU  34           HG       LEU  34 -18.867   4.515   6.582
  249   1HD1  LEU  34          1HD1      LEU  34 -18.684   4.541   8.804
  250   2HD1  LEU  34          2HD1      LEU  34 -17.128   5.368   8.722
  251   3HD1  LEU  34          3HD1      LEU  34 -17.200   3.607   8.627
  252   1HD2  LEU  34          1HD2      LEU  34 -16.526   6.304   6.982
  253   2HD2  LEU  34          2HD2      LEU  34 -18.115   6.656   6.301
  254   3HD2  LEU  34          3HD2      LEU  34 -16.904   5.810   5.328
  255    H    TYR  35           H        TYR  35 -16.426   1.369   3.493
  256    HA   TYR  35           HA       TYR  35 -13.875   2.367   2.559
  257   1HB   TYR  35          1HB       TYR  35 -12.944  -0.004   3.181
  258   2HB   TYR  35          1HB       TYR  35 -12.873   1.357   4.273
  259    HD1  TYR  35          1HD       TYR  35 -14.749   1.640   5.907
  260    HD2  TYR  35          2HD       TYR  35 -13.889  -1.994   3.906
  261    HE1  TYR  35          1HE       TYR  35 -15.899   0.442   7.668
  262    HE2  TYR  35          2HE       TYR  35 -15.072  -3.248   5.675
  263    HH   TYR  35           HH       TYR  35 -17.159  -1.992   7.757
  264    H    GLN  36           H        GLN  36 -12.745   0.562   1.193
  265    HA   GLN  36           HA       GLN  36 -14.779  -0.666  -0.518
  266   1HB   GLN  36          1HB       GLN  36 -12.489   1.154  -1.215
  267   2HB   GLN  36          1HB       GLN  36 -13.306   0.158  -2.415
  268   1HG   GLN  36          1HG       GLN  36 -15.135   1.471  -2.434
  269   2HG   GLN  36          1HG       GLN  36 -14.992   1.859  -0.723
  270   1HE2  GLN  36          1HE2      GLN  36 -13.553   2.502  -3.882
  271   2HE2  GLN  36          2HE2      GLN  36 -13.059   4.118  -3.524
  272    H    ARG  37           H        ARG  37 -13.231  -1.737  -2.393
  273    HA   ARG  37           HA       ARG  37 -11.008  -3.097  -1.132
  274   1HB   ARG  37          1HB       ARG  37 -13.589  -4.325  -1.476
  275   2HB   ARG  37          1HB       ARG  37 -12.387  -5.163  -2.447
  276   1HG   ARG  37          1HG       ARG  37 -11.542  -6.156  -0.659
  277   2HG   ARG  37          1HG       ARG  37 -11.329  -4.608   0.162
  278   1HD   ARG  37          1HD       ARG  37 -12.901  -5.302   1.586
  279   2HD   ARG  37          1HD       ARG  37 -14.049  -5.029   0.283
  280    HE   ARG  37           HE       ARG  37 -12.741  -7.639   0.481
  281   1HH1  ARG  37          1HH1      ARG  37 -15.627  -5.695   0.798
  282   2HH1  ARG  37          2HH1      ARG  37 -16.692  -7.059   0.811
  283   1HH2  ARG  37          1HH2      ARG  37 -14.146  -9.431   0.501
  284   2HH2  ARG  37          2HH2      ARG  37 -15.853  -9.177   0.646
  285    H    TYR  38           H        TYR  38  -9.469  -3.640  -2.476
  286    HA   TYR  38           HA       TYR  38  -9.921  -3.402  -5.390
  287   1HB   TYR  38          1HB       TYR  38  -8.080  -1.861  -3.702
  288   2HB   TYR  38          1HB       TYR  38  -7.241  -2.705  -4.996
  289    HD1  TYR  38          1HD       TYR  38  -8.737  -2.450  -7.339
  290    HD2  TYR  38          2HD       TYR  38  -8.448   0.390  -4.179
  291    HE1  TYR  38          1HE       TYR  38  -9.264  -0.633  -8.904
  292    HE2  TYR  38          2HE       TYR  38  -8.997   2.181  -5.717
  293    HH   TYR  38           HH       TYR  38  -9.251   1.640  -9.174
  294    H    GLU  39           H        GLU  39  -8.625  -4.861  -6.648
  295    HA   GLU  39           HA       GLU  39  -7.417  -7.046  -5.101
  296   1HB   GLU  39          1HB       GLU  39  -9.241  -7.455  -6.857
  297   2HB   GLU  39          1HB       GLU  39  -8.037  -7.000  -8.049
  298   1HG   GLU  39          1HG       GLU  39  -6.722  -8.875  -7.628
  299   2HG   GLU  39          1HG       GLU  39  -7.521  -9.198  -6.090
  300    H    ILE  40           H        ILE  40  -5.202  -7.638  -5.543
  301    HA   ILE  40           HA       ILE  40  -3.892  -5.938  -7.519
  302    HB   ILE  40           HB       ILE  40  -2.103  -5.494  -5.667
  303   1HG1  ILE  40          1HG1      ILE  40  -4.401  -5.283  -3.818
  304   2HG1  ILE  40          1HG1      ILE  40  -3.773  -6.903  -4.111
  305   1HG2  ILE  40          1HG2      ILE  40  -2.816  -3.502  -6.357
  306   2HG2  ILE  40          2HG2      ILE  40  -3.893  -3.532  -4.962
  307   3HG2  ILE  40          3HG2      ILE  40  -4.475  -4.057  -6.539
  308   1HD1  ILE  40          1HD1      ILE  40  -2.468  -6.324  -2.359
  309   2HD1  ILE  40          2HD1      ILE  40  -2.525  -4.603  -2.740
  310   3HD1  ILE  40          3HD1      ILE  40  -1.471  -5.676  -3.661
  311    H    LYS  41           H        LYS  41  -2.196  -6.688  -8.439
  312    HA   LYS  41           HA       LYS  41  -1.275  -9.337  -7.999
  313   1HB   LYS  41          1HB       LYS  41  -1.030  -7.373 -10.045
  314   2HB   LYS  41          1HB       LYS  41   0.592  -7.871  -9.589
  315   1HG   LYS  41          1HG       LYS  41  -1.190 -10.134  -9.877
  316   2HG   LYS  41          1HG       LYS  41  -1.091  -9.168 -11.350
  317   1HD   LYS  41          1HD       LYS  41   0.707 -10.516 -11.702
  318   2HD   LYS  41          1HD       LYS  41   1.499  -9.254 -10.759
  319   1HE   LYS  41          1HE       LYS  41   2.230 -11.150  -9.679
  320   2HE   LYS  41          1HE       LYS  41   0.804 -10.736  -8.726
  321   1HZ   LYS  41          1HZ       LYS  41   0.416 -12.930  -9.104
  322   2HZ   LYS  41          2HZ       LYS  41   1.216 -12.951 -10.594
  323   3HZ   LYS  41          3HZ       LYS  41  -0.339 -12.296 -10.479
  324    H    MET  42           H        MET  42  -0.600  -9.198  -5.799
  325    HA   MET  42           HA       MET  42   1.269  -7.415  -4.774
  326   1HB   MET  42          1HB       MET  42   0.033  -8.632  -3.222
  327   2HB   MET  42          1HB       MET  42   0.333 -10.160  -4.031
  328   1HG   MET  42          1HG       MET  42   1.757 -10.500  -2.352
  329   2HG   MET  42          1HG       MET  42   2.839  -9.466  -3.283
  330   1HE   MET  42          1HE       MET  42   4.069  -8.173  -2.435
  331   2HE   MET  42          2HE       MET  42   4.084  -7.526  -0.799
  332   3HE   MET  42          3HE       MET  42   3.385  -6.581  -2.112
  333    H    THR  43           H        THR  43   3.387  -7.114  -5.273
  334    HA   THR  43           HA       THR  43   4.695  -9.070  -6.902
  335    HB   THR  43           HB       THR  43   5.925  -6.563  -5.794
  336    HG1  THR  43          1HG       THR  43   4.629  -6.695  -8.286
  337   1HG2  THR  43          1HG2      THR  43   7.117  -8.483  -7.237
  338   2HG2  THR  43          2HG2      THR  43   7.543  -6.779  -7.351
  339   3HG2  THR  43          3HG2      THR  43   6.458  -7.491  -8.537
  340    H    LYS  44           H        LYS  44   5.712  -7.365  -3.955
  341    HA   LYS  44           HA       LYS  44   6.624  -9.768  -2.671
  342   1HB   LYS  44          1HB       LYS  44   8.477  -8.139  -4.139
  343   2HB   LYS  44          1HB       LYS  44   8.805  -7.940  -2.423
  344   1HG   LYS  44          1HG       LYS  44   8.911 -10.428  -2.231
  345   2HG   LYS  44          1HG       LYS  44   8.777 -10.511  -3.989
  346   1HD   LYS  44          1HD       LYS  44  11.027 -10.455  -3.932
  347   2HD   LYS  44          1HD       LYS  44  10.799  -8.720  -3.705
  348   1HE   LYS  44          1HE       LYS  44  10.609 -10.161  -1.201
  349   2HE   LYS  44          1HE       LYS  44  12.144 -10.470  -2.011
  350   1HZ   LYS  44          1HZ       LYS  44  12.821  -8.355  -1.729
  351   2HZ   LYS  44          2HZ       LYS  44  11.722  -8.374  -0.445
  352   3HZ   LYS  44          3HZ       LYS  44  11.275  -7.697  -1.928
  353    H    MET  45           H        MET  45   6.574  -9.476  -0.446
  354    HA   MET  45           HA       MET  45   5.404  -6.963   0.474
  355   1HB   MET  45          1HB       MET  45   5.752  -9.603   1.867
  356   2HB   MET  45          1HB       MET  45   5.025  -8.197   2.604
  357   1HG   MET  45          1HG       MET  45   3.093  -8.879   1.876
  358   2HG   MET  45          1HG       MET  45   3.640  -8.629   0.234
  359   1HE   MET  45          1HE       MET  45   5.043 -12.154  -0.718
  360   2HE   MET  45          2HE       MET  45   5.872 -10.701  -0.182
  361   3HE   MET  45          3HE       MET  45   4.571 -10.588  -1.366
  362    H    TYR  46           H        TYR  46   6.355  -5.613   1.962
  363    HA   TYR  46           HA       TYR  46   9.114  -6.216   2.650
  364   1HB   TYR  46          1HB       TYR  46   7.586  -3.603   2.776
  365   2HB   TYR  46          1HB       TYR  46   9.291  -3.802   3.158
  366    HD1  TYR  46          1HD       TYR  46  10.816  -3.173   1.437
  367    HD2  TYR  46          2HD       TYR  46   6.961  -4.652   0.390
  368    HE1  TYR  46          1HE       TYR  46  11.342  -2.868  -0.937
  369    HE2  TYR  46          2HE       TYR  46   7.486  -4.343  -1.967
  370    HH   TYR  46           HH       TYR  46   9.075  -2.858  -3.339
  371    H    LYS  47           H        LYS  47   5.937  -5.330   4.060
  372    HA   LYS  47           HA       LYS  47   6.806  -6.549   6.582
  373   1HB   LYS  47          1HB       LYS  47   6.333  -3.764   6.172
  374   2HB   LYS  47          1HB       LYS  47   5.016  -4.400   7.141
  375   1HG   LYS  47          1HG       LYS  47   7.945  -4.632   7.785
  376   2HG   LYS  47          1HG       LYS  47   6.792  -3.536   8.549
  377   1HD   LYS  47          1HD       LYS  47   6.420  -6.520   8.547
  378   2HD   LYS  47          1HD       LYS  47   7.346  -5.687   9.796
  379   1HE   LYS  47          1HE       LYS  47   4.817  -4.379   9.367
  380   2HE   LYS  47          1HE       LYS  47   4.576  -6.091   9.707
  381   1HZ   LYS  47          1HZ       LYS  47   4.977  -5.695  11.831
  382   2HZ   LYS  47          2HZ       LYS  47   5.160  -4.050  11.512
  383   3HZ   LYS  47          3HZ       LYS  47   6.506  -5.074  11.478
  384    H    GLY  48           H        GLY  48   5.240  -7.927   7.366
  385   1HA   GLY  48          2HA       GLY  48   2.571  -7.776   7.537
  386   2HA   GLY  48          1HA       GLY  48   2.774  -8.171   5.834
  387    H    PHE  49           H        PHE  49   5.307  -9.674   6.907
  388    HA   PHE  49           HA       PHE  49   3.940 -12.228   7.251
  389   1HB   PHE  49          1HB       PHE  49   6.895 -11.826   7.503
  390   2HB   PHE  49          1HB       PHE  49   6.006 -13.262   7.006
  391    HD1  PHE  49          1HD       PHE  49   5.332 -13.592   4.761
  392    HD2  PHE  49          2HD       PHE  49   7.226  -9.965   5.927
  393    HE1  PHE  49          1HE       PHE  49   5.703 -13.029   2.403
  394    HE2  PHE  49          2HE       PHE  49   7.597  -9.394   3.562
  395    HZ   PHE  49           HZ       PHE  49   6.838 -10.934   1.792
  396    H    GLN  50           H        GLN  50   4.371  -9.798   9.086
  397    HA   GLN  50           HA       GLN  50   5.255 -11.207  11.497
  398   1HB   GLN  50          1HB       GLN  50   5.977  -9.223  12.283
  399   2HB   GLN  50          1HB       GLN  50   5.609  -8.517  10.722
  400   1HG   GLN  50          1HG       GLN  50   4.205  -7.168  11.747
  401   2HG   GLN  50          1HG       GLN  50   3.188  -8.549  12.113
  402   1HE2  GLN  50          1HE2      GLN  50   4.566  -5.966  13.478
  403   2HE2  GLN  50          2HE2      GLN  50   4.796  -6.540  15.088
  404    H    ALA  51           H        ALA  51   2.610  -9.264  10.084
  405    HA   ALA  51           HA       ALA  51   0.624  -9.990  11.914
  406   1HB   ALA  51          1HB       ALA  51   0.115  -9.480   8.996
  407   2HB   ALA  51          2HB       ALA  51   0.602  -8.178  10.083
  408   3HB   ALA  51          3HB       ALA  51  -0.892  -9.065  10.385
  409    H    LEU  52           H        LEU  52   1.477 -11.300   8.701
  410    HA   LEU  52           HA       LEU  52  -0.107 -13.669   9.308
  411   1HB   LEU  52          1HB       LEU  52   0.774 -12.849   6.560
  412   2HB   LEU  52          1HB       LEU  52  -0.555 -13.896   7.008
  413    HG   LEU  52           HG       LEU  52  -1.053 -11.360   8.173
  414   1HD1  LEU  52          1HD1      LEU  52  -0.959  -9.832   6.379
  415   2HD1  LEU  52          2HD1      LEU  52  -0.547 -11.095   5.221
  416   3HD1  LEU  52          3HD1      LEU  52   0.628 -10.596   6.436
  417   1HD2  LEU  52          1HD2      LEU  52  -2.978 -12.385   7.620
  418   2HD2  LEU  52          2HD2      LEU  52  -2.268 -13.191   6.229
  419   3HD2  LEU  52          3HD2      LEU  52  -2.776 -11.511   6.102
  420    H    GLY  53           H        GLY  53   2.127 -13.873   6.650
  421   1HA   GLY  53          2HA       GLY  53   4.410 -14.855   7.634
  422   2HA   GLY  53          1HA       GLY  53   3.289 -16.172   7.928
  423    H    ASP  54           H        ASP  54   1.724 -16.118   5.748
  424    HA   ASP  54           HA       ASP  54   3.472 -17.129   3.693
  425   1HB   ASP  54          1HB       ASP  54   1.307 -17.862   2.635
  426   2HB   ASP  54          1HB       ASP  54   1.599 -18.546   4.230
  427    H    ALA  55           H        ALA  55   4.223 -15.753   2.411
  428    HA   ALA  55           HA       ALA  55   3.603 -13.156   1.950
  429   1HB   ALA  55          1HB       ALA  55   5.395 -13.234   0.659
  430   2HB   ALA  55          2HB       ALA  55   4.626 -14.342  -0.473
  431   3HB   ALA  55          3HB       ALA  55   5.439 -14.968   0.962
  432    H    ALA  56           H        ALA  56   1.334 -15.398   1.208
  433    HA   ALA  56           HA       ALA  56   0.361 -13.822  -1.084
  434   1HB   ALA  56          1HB       ALA  56   0.918 -16.284  -1.484
  435   2HB   ALA  56          2HB       ALA  56  -0.681 -15.734  -1.987
  436   3HB   ALA  56          3HB       ALA  56  -0.490 -16.642  -0.487
  437    H    ASP  57           H        ASP  57   0.047 -13.447   1.851
  438    HA   ASP  57           HA       ASP  57  -2.825 -13.868   2.159
  439   1HB   ASP  57          1HB       ASP  57  -0.653 -14.088   3.925
  440   2HB   ASP  57          1HB       ASP  57  -1.532 -12.650   4.444
  441    H    ILE  58           H        ILE  58  -1.663 -11.757   0.396
  442    HA   ILE  58           HA       ILE  58  -3.212  -9.530   1.508
  443    HB   ILE  58           HB       ILE  58  -0.510  -8.967   0.332
  444   1HG1  ILE  58          1HG1      ILE  58  -0.482  -8.690   3.199
  445   2HG1  ILE  58          1HG1      ILE  58  -0.863 -10.346   2.752
  446   1HG2  ILE  58          1HG2      ILE  58  -2.440  -7.266   0.696
  447   2HG2  ILE  58          2HG2      ILE  58  -0.777  -6.827   1.097
  448   3HG2  ILE  58          3HG2      ILE  58  -1.894  -7.301   2.376
  449   1HD1  ILE  58          1HD1      ILE  58   1.135 -10.630   1.597
  450   2HD1  ILE  58          2HD1      ILE  58   1.578  -9.771   3.074
  451   3HD1  ILE  58          3HD1      ILE  58   1.447  -8.896   1.548
  452    H    ARG  59           H        ARG  59  -4.615 -10.317  -0.343
  453    HA   ARG  59           HA       ARG  59  -3.442  -9.627  -2.922
  454   1HB   ARG  59          1HB       ARG  59  -6.020 -11.100  -2.605
  455   2HB   ARG  59          1HB       ARG  59  -4.852 -11.170  -3.914
  456   1HG   ARG  59          1HG       ARG  59  -3.354 -12.105  -1.875
  457   2HG   ARG  59          1HG       ARG  59  -4.958 -12.654  -1.382
  458   1HD   ARG  59          1HD       ARG  59  -4.104 -13.066  -4.204
  459   2HD   ARG  59          1HD       ARG  59  -3.432 -14.115  -2.957
  460    HE   ARG  59           HE       ARG  59  -6.071 -14.203  -4.026
  461   1HH1  ARG  59          1HH1      ARG  59  -4.236 -14.731  -1.105
  462   2HH1  ARG  59          2HH1      ARG  59  -5.348 -15.896  -0.467
  463   1HH2  ARG  59          1HH2      ARG  59  -7.532 -15.742  -3.191
  464   2HH2  ARG  59          2HH2      ARG  59  -7.219 -16.470  -1.652
  465    H    PHE  60           H        PHE  60  -5.596  -8.281  -0.798
  466    HA   PHE  60           HA       PHE  60  -6.553  -6.365  -2.731
  467   1HB   PHE  60          1HB       PHE  60  -8.383  -7.687  -0.719
  468   2HB   PHE  60          1HB       PHE  60  -8.839  -6.534  -1.967
  469    HD1  PHE  60          1HD       PHE  60  -7.597  -9.979  -1.412
  470    HD2  PHE  60          2HD       PHE  60  -9.476  -7.253  -4.083
  471    HE1  PHE  60          1HE       PHE  60  -8.129 -11.841  -2.930
  472    HE2  PHE  60          2HE       PHE  60 -10.011  -9.107  -5.607
  473    HZ   PHE  60           HZ       PHE  60  -9.336 -11.405  -5.034
  474    H    VAL  61           H        VAL  61  -6.983  -4.499  -2.033
  475    HA   VAL  61           HA       VAL  61  -5.906  -3.821   0.599
  476    HB   VAL  61           HB       VAL  61  -5.066  -1.922  -0.344
  477   1HG1  VAL  61          1HG1      VAL  61  -4.196  -4.006  -1.429
  478   2HG1  VAL  61          2HG1      VAL  61  -3.858  -2.478  -2.245
  479   3HG1  VAL  61          3HG1      VAL  61  -5.146  -3.530  -2.836
  480   1HG2  VAL  61          1HG2      VAL  61  -7.499  -1.865  -1.907
  481   2HG2  VAL  61          2HG2      VAL  61  -6.091  -1.381  -2.840
  482   3HG2  VAL  61          3HG2      VAL  61  -6.498  -0.528  -1.351
  483    H    TYR  62           H        TYR  62  -7.243  -3.006   2.130
  484    HA   TYR  62           HA       TYR  62  -9.904  -2.124   1.306
  485   1HB   TYR  62          1HB       TYR  62  -8.962  -3.008   4.031
  486   2HB   TYR  62          1HB       TYR  62 -10.623  -2.695   3.555
  487    HD1  TYR  62          1HD       TYR  62 -11.805  -4.639   3.564
  488    HD2  TYR  62          2HD       TYR  62  -7.858  -4.724   1.960
  489    HE1  TYR  62          1HE       TYR  62 -12.105  -6.994   2.949
  490    HE2  TYR  62          2HE       TYR  62  -8.143  -7.074   1.361
  491    HH   TYR  62           HH       TYR  62  -9.544  -8.814   1.298
  492    H    THR  63           H        THR  63  -9.939  -0.039   1.041
  493    HA   THR  63           HA       THR  63  -8.979   1.778   3.176
  494    HB   THR  63           HB       THR  63  -7.724   2.075   1.132
  495    HG1  THR  63          1HG       THR  63  -9.548   4.119   1.730
  496   1HG2  THR  63          1HG2      THR  63  -8.700   1.537  -0.778
  497   2HG2  THR  63          2HG2      THR  63  -9.396   3.153  -0.743
  498   3HG2  THR  63          3HG2      THR  63 -10.315   1.789  -0.122
  499    HA   PRO  64           HA       PRO  64 -13.085   3.243   3.947
  500   1HB   PRO  64          1HB       PRO  64 -12.047   6.029   3.786
  501   2HB   PRO  64          1HB       PRO  64 -12.893   5.213   5.105
  502   1HG   PRO  64          1HG       PRO  64 -10.278   5.689   5.244
  503   2HG   PRO  64          1HG       PRO  64 -10.971   4.185   5.877
  504   1HD   PRO  64          1HD       PRO  64  -9.459   4.653   3.342
  505   2HD   PRO  64          1HD       PRO  64  -9.400   3.269   4.449
  506    H    ALA  65           H        ALA  65 -14.814   3.805   2.909
  507    HA   ALA  65           HA       ALA  65 -14.763   5.060   0.303
  508   1HB   ALA  65          1HB       ALA  65 -16.862   3.809  -0.135
  509   2HB   ALA  65          2HB       ALA  65 -16.604   2.979   1.400
  510   3HB   ALA  65          3HB       ALA  65 -15.439   2.803   0.099
  511    H    MET  66           H        MET  66 -15.134   7.158   0.823
  512    HA   MET  66           HA       MET  66 -17.843   7.760   1.699
  513   1HB   MET  66          1HB       MET  66 -15.704   7.989   3.443
  514   2HB   MET  66          1HB       MET  66 -15.926   9.626   2.845
  515   1HG   MET  66          1HG       MET  66 -18.439   8.373   3.565
  516   2HG   MET  66          1HG       MET  66 -17.299   8.417   4.907
  517   1HE   MET  66          1HE       MET  66 -18.886  11.321   2.169
  518   2HE   MET  66          2HE       MET  66 -20.027  11.516   3.498
  519   3HE   MET  66          3HE       MET  66 -19.735   9.915   2.816
  520    H    GLU  67           H        GLU  67 -18.525   9.918   1.144
  521    HA   GLU  67           HA       GLU  67 -17.765  10.724  -1.419
  522   1HB   GLU  67          1HB       GLU  67 -19.903  11.248   0.037
  523   2HB   GLU  67          1HB       GLU  67 -18.989  12.684   0.479
  524   1HG   GLU  67          1HG       GLU  67 -20.412  13.248  -1.337
  525   2HG   GLU  67          1HG       GLU  67 -18.756  13.203  -1.941
  526    H    SER  68           H        SER  68 -15.912  11.590  -2.010
  527    HA   SER  68           HA       SER  68 -14.126  12.997  -2.124
  528   1HB   SER  68          1HB       SER  68 -15.679  14.766  -1.260
  529   2HB   SER  68          1HB       SER  68 -15.173  14.345   0.375
  530    HG   SER  68           HG       SER  68 -13.679  15.781  -0.017
  531    H    VAL  69           H        VAL  69 -14.419  10.542  -0.323
  532    HA   VAL  69           HA       VAL  69 -12.607  10.849   1.851
  533    HB   VAL  69           HB       VAL  69 -14.325   8.959   1.442
  534   1HG1  VAL  69          1HG1      VAL  69 -12.113   8.075  -0.347
  535   2HG1  VAL  69          2HG1      VAL  69 -13.853   8.078  -0.628
  536   3HG1  VAL  69          3HG1      VAL  69 -13.139   6.900   0.469
  537   1HG2  VAL  69          1HG2      VAL  69 -11.953   7.543   2.301
  538   2HG2  VAL  69          2HG2      VAL  69 -13.426   7.940   3.182
  539   3HG2  VAL  69          3HG2      VAL  69 -12.129   9.127   3.062
  540    H    CYS  70           H        CYS  70 -10.775   8.945   1.661
  541    HA   CYS  70           HA       CYS  70  -8.955   9.879  -0.410
  542   1HB   CYS  70          1HB       CYS  70  -7.560   8.064   1.167
  543   2HB   CYS  70          1HB       CYS  70  -7.492   9.809   1.338
  544    H    GLY  71           H        GLY  71  -9.640   6.826   1.214
  545   1HA   GLY  71          2HA       GLY  71  -9.995   4.752   0.321
  546   2HA   GLY  71          1HA       GLY  71 -10.463   5.552  -1.172
  547    H    TYR  72           H        TYR  72  -9.220   5.267  -2.801
  548    HA   TYR  72           HA       TYR  72  -6.410   5.439  -2.701
  549   1HB   TYR  72          1HB       TYR  72  -6.748   3.154  -1.743
  550   2HB   TYR  72          1HB       TYR  72  -7.451   2.666  -3.283
  551    HD1  TYR  72          1HD       TYR  72  -4.390   3.369  -1.463
  552    HD2  TYR  72          2HD       TYR  72  -6.018   2.564  -5.311
  553    HE1  TYR  72          1HE       TYR  72  -2.145   2.819  -2.293
  554    HE2  TYR  72          2HE       TYR  72  -3.771   2.013  -6.149
  555    HH   TYR  72           HH       TYR  72  -1.558   2.101  -5.698
  556    H    PHE  73           H        PHE  73  -7.052   6.997  -4.254
  557    HA   PHE  73           HA       PHE  73  -8.357   6.245  -6.626
  558   1HB   PHE  73          1HB       PHE  73  -6.963   8.669  -5.670
  559   2HB   PHE  73          1HB       PHE  73  -6.942   8.442  -7.414
  560    HD1  PHE  73          1HD       PHE  73  -8.930   8.634  -8.724
  561    HD2  PHE  73          2HD       PHE  73  -9.098   9.003  -4.485
  562    HE1  PHE  73          1HE       PHE  73 -11.186   9.586  -8.903
  563    HE2  PHE  73          2HE       PHE  73 -11.364   9.955  -4.658
  564    HZ   PHE  73           HZ       PHE  73 -12.411  10.252  -6.869
  565    H    HIS  74           H        HIS  74  -7.524   4.503  -7.571
  566    HA   HIS  74           HA       HIS  74  -4.705   4.640  -8.365
  567   1HB   HIS  74          1HB       HIS  74  -5.053   2.629  -7.293
  568   2HB   HIS  74          1HB       HIS  74  -6.649   2.402  -7.982
  569    HD1  HIS  74          1HD       HIS  74  -6.715   0.636  -9.733
  570    HD2  HIS  74          2HD       HIS  74  -2.956   2.387  -9.459
  571    HE1  HIS  74          1HE       HIS  74  -5.260  -0.638 -11.342
  572    HE2  HIS  74          2HE       HIS  74  -2.962   0.340 -11.042
  573    H    ARG  75           H        ARG  75  -4.257   5.425 -10.227
  574    HA   ARG  75           HA       ARG  75  -6.015   4.861 -12.524
  575   1HB   ARG  75          1HB       ARG  75  -4.902   7.120 -13.382
  576   2HB   ARG  75          1HB       ARG  75  -6.381   7.109 -12.435
  577   1HG   ARG  75          1HG       ARG  75  -3.736   7.337 -11.064
  578   2HG   ARG  75          1HG       ARG  75  -4.466   8.748 -11.831
  579   1HD   ARG  75          1HD       ARG  75  -6.447   7.387 -10.287
  580   2HD   ARG  75          1HD       ARG  75  -5.020   7.654  -9.289
  581    HE   ARG  75           HE       ARG  75  -6.441   9.809 -10.724
  582   1HH1  ARG  75          1HH1      ARG  75  -4.684   8.651  -7.927
  583   2HH1  ARG  75          2HH1      ARG  75  -4.819  10.150  -7.076
  584   1HH2  ARG  75          1HH2      ARG  75  -6.613  11.773  -9.592
  585   2HH2  ARG  75          2HH2      ARG  75  -5.910  11.917  -8.015
  586    H    SER  76           H        SER  76  -4.364   2.985 -12.408
  587    HA   SER  76           HA       SER  76  -2.006   3.760 -13.980
  588   1HB   SER  76          1HB       SER  76  -2.322   1.866 -11.728
  589   2HB   SER  76          1HB       SER  76  -1.265   1.340 -13.033
  590    HG   SER  76           HG       SER  76   0.022   2.489 -11.709
  591    H    HIS  77           H        HIS  77  -2.098   3.178 -16.031
  592    HA   HIS  77           HA       HIS  77  -4.047   1.445 -17.126
  593   1HB   HIS  77          1HB       HIS  77  -1.726   2.992 -18.087
  594   2HB   HIS  77          1HB       HIS  77  -2.087   1.559 -19.040
  595    HD1  HIS  77          1HD       HIS  77  -2.793   5.000 -19.002
  596    HD2  HIS  77          2HD       HIS  77  -5.094   1.606 -19.672
  597    HE1  HIS  77          1HE       HIS  77  -4.796   5.792 -20.298
  598    HE2  HIS  77          2HE       HIS  77  -6.097   3.698 -20.814
  599    H    ASN  78           H        ASN  78  -0.577   1.112 -16.729
  600    HA   ASN  78           HA       ASN  78  -0.488  -1.591 -17.576
  601   1HB   ASN  78          1HB       ASN  78   1.376   0.305 -17.388
  602   2HB   ASN  78          1HB       ASN  78   1.705  -0.532 -15.876
  603   1HD2  ASN  78          1HD2      ASN  78   3.287  -0.294 -18.326
  604   2HD2  ASN  78          2HD2      ASN  78   3.618  -1.912 -18.835
  605    H    ARG  79           H        ARG  79  -1.275  -3.271 -16.522
  606    HA   ARG  79           HA       ARG  79  -1.664  -3.268 -13.681
  607   1HB   ARG  79          1HB       ARG  79  -2.463  -5.617 -14.081
  608   2HB   ARG  79          1HB       ARG  79  -3.317  -4.383 -14.993
  609   1HG   ARG  79          1HG       ARG  79  -1.371  -5.101 -16.757
  610   2HG   ARG  79          1HG       ARG  79  -1.682  -6.624 -15.924
  611   1HD   ARG  79          1HD       ARG  79  -3.961  -4.957 -16.907
  612   2HD   ARG  79          1HD       ARG  79  -3.080  -5.996 -18.025
  613    HE   ARG  79           HE       ARG  79  -3.956  -7.332 -15.632
  614   1HH1  ARG  79          1HH1      ARG  79  -4.834  -6.391 -18.876
  615   2HH1  ARG  79          2HH1      ARG  79  -6.025  -7.636 -19.049
  616   1HH2  ARG  79          1HH2      ARG  79  -5.521  -8.971 -15.858
  617   2HH2  ARG  79          2HH2      ARG  79  -6.416  -9.101 -17.335
  618    H    SER  80           H        SER  80   0.949  -3.830 -15.620
  619    HA   SER  80           HA       SER  80   2.175  -5.740 -13.763
  620   1HB   SER  80          1HB       SER  80   3.856  -6.148 -15.491
  621   2HB   SER  80          1HB       SER  80   2.230  -6.429 -16.108
  622    HG   SER  80           HG       SER  80   2.367  -4.664 -17.338
  623    H    GLU  81           H        GLU  81   1.943  -2.523 -13.979
  624    HA   GLU  81           HA       GLU  81   4.756  -1.931 -13.579
  625   1HB   GLU  81          1HB       GLU  81   3.071  -0.353 -14.686
  626   2HB   GLU  81          1HB       GLU  81   2.433  -0.070 -13.074
  627   1HG   GLU  81          1HG       GLU  81   4.746   0.634 -12.399
  628   2HG   GLU  81          1HG       GLU  81   5.185   0.564 -14.105
  629    H    GLU  82           H        GLU  82   5.703  -2.200 -11.640
  630    HA   GLU  82           HA       GLU  82   4.257  -3.113  -9.408
  631   1HB   GLU  82          1HB       GLU  82   7.136  -2.203  -9.564
  632   2HB   GLU  82          1HB       GLU  82   6.410  -3.114  -8.245
  633   1HG   GLU  82          1HG       GLU  82   6.902  -4.996  -9.287
  634   2HG   GLU  82          1HG       GLU  82   5.839  -4.521 -10.610
  635    H    PHE  83           H        PHE  83   4.765  -2.088  -7.139
  636    HA   PHE  83           HA       PHE  83   4.776   0.770  -7.159
  637   1HB   PHE  83          1HB       PHE  83   2.249  -0.729  -6.827
  638   2HB   PHE  83          1HB       PHE  83   2.538   0.568  -5.677
  639    HD1  PHE  83          1HD       PHE  83   1.487  -0.253  -9.022
  640    HD2  PHE  83          2HD       PHE  83   3.029   2.866  -6.559
  641    HE1  PHE  83          1HE       PHE  83   0.735   1.405 -10.653
  642    HE2  PHE  83          2HE       PHE  83   2.265   4.531  -8.197
  643    HZ   PHE  83           HZ       PHE  83   1.118   3.804 -10.249
  644    H    LEU  84           H        LEU  84   4.233   1.549  -4.921
  645    HA   LEU  84           HA       LEU  84   5.537  -0.177  -2.890
  646   1HB   LEU  84          1HB       LEU  84   6.962   1.741  -3.651
  647   2HB   LEU  84          1HB       LEU  84   5.745   2.840  -3.041
  648    HG   LEU  84           HG       LEU  84   7.795   2.444  -1.591
  649   1HD1  LEU  84          1HD1      LEU  84   6.528   2.584   0.462
  650   2HD1  LEU  84          2HD1      LEU  84   5.095   1.971  -0.360
  651   3HD1  LEU  84          3HD1      LEU  84   5.760   3.541  -0.804
  652   1HD2  LEU  84          1HD2      LEU  84   7.902   0.014  -1.839
  653   2HD2  LEU  84          2HD2      LEU  84   6.363  -0.135  -0.992
  654   3HD2  LEU  84          3HD2      LEU  84   7.777   0.495  -0.147
  655    H    ILE  85           H        ILE  85   4.301  -0.597  -1.143
  656    HA   ILE  85           HA       ILE  85   2.080   1.278  -0.619
  657    HB   ILE  85           HB       ILE  85   1.908  -1.740  -0.668
  658   1HG1  ILE  85          1HG1      ILE  85   0.327   0.195  -2.350
  659   2HG1  ILE  85          1HG1      ILE  85   1.934  -0.325  -2.845
  660   1HG2  ILE  85          1HG2      ILE  85   0.490  -0.909   1.114
  661   2HG2  ILE  85          2HG2      ILE  85  -0.534  -1.359  -0.248
  662   3HG2  ILE  85          3HG2      ILE  85  -0.176   0.339   0.062
  663   1HD1  ILE  85          1HD1      ILE  85  -0.459  -1.584  -3.396
  664   2HD1  ILE  85          2HD1      ILE  85   0.257  -2.566  -2.117
  665   3HD1  ILE  85          3HD1      ILE  85   1.157  -2.258  -3.601
  666    H    ALA  86           H        ALA  86   2.380   2.112   1.206
  667    HA   ALA  86           HA       ALA  86   3.283   0.590   3.609
  668   1HB   ALA  86          1HB       ALA  86   4.557   2.649   3.360
  669   2HB   ALA  86          2HB       ALA  86   3.478   2.797   4.748
  670   3HB   ALA  86          3HB       ALA  86   3.071   3.588   3.226
  671    H    GLY  87           H        GLY  87   1.615  -0.249   4.701
  672   1HA   GLY  87          2HA       GLY  87  -0.701   1.334   5.377
  673   2HA   GLY  87          1HA       GLY  87  -1.068   0.026   4.267
  674    H    LYS  88           H        LYS  88  -1.850   0.543   7.134
  675    HA   LYS  88           HA       LYS  88  -0.674  -1.602   8.649
  676   1HB   LYS  88          1HB       LYS  88  -2.976   0.236   9.334
  677   2HB   LYS  88          1HB       LYS  88  -2.277  -0.941  10.428
  678   1HG   LYS  88          1HG       LYS  88  -0.119   0.268  10.216
  679   2HG   LYS  88          1HG       LYS  88  -0.955   1.504   9.289
  680   1HD   LYS  88          1HD       LYS  88  -2.534   1.447  11.447
  681   2HD   LYS  88          1HD       LYS  88  -1.028   0.904  12.195
  682   1HE   LYS  88          1HE       LYS  88  -0.257   2.988  12.205
  683   2HE   LYS  88          1HE       LYS  88  -0.452   3.084  10.455
  684   1HZ   LYS  88          1HZ       LYS  88  -2.266   3.984  12.574
  685   2HZ   LYS  88          2HZ       LYS  88  -2.925   3.493  11.095
  686   3HZ   LYS  88          3HZ       LYS  88  -1.810   4.763  11.142
  687    H    LEU  89           H        LEU  89  -2.497  -3.022   9.898
  688    HA   LEU  89           HA       LEU  89  -4.209  -4.113   7.767
  689   1HB   LEU  89          1HB       LEU  89  -2.591  -5.398   9.917
  690   2HB   LEU  89          1HB       LEU  89  -4.091  -6.166   9.444
  691    HG   LEU  89           HG       LEU  89  -1.680  -5.666   7.711
  692   1HD1  LEU  89          1HD1      LEU  89  -3.049  -8.155   8.715
  693   2HD1  LEU  89          2HD1      LEU  89  -1.439  -7.575   9.135
  694   3HD1  LEU  89          3HD1      LEU  89  -1.769  -8.143   7.500
  695   1HD2  LEU  89          1HD2      LEU  89  -4.176  -5.471   6.753
  696   2HD2  LEU  89          2HD2      LEU  89  -3.960  -7.212   6.661
  697   3HD2  LEU  89          3HD2      LEU  89  -2.839  -6.138   5.829
  698    H    GLN  90           H        GLN  90  -6.336  -4.704   8.290
  699    HA   GLN  90           HA       GLN  90  -7.294  -3.916  10.935
  700   1HB   GLN  90          1HB       GLN  90  -8.654  -3.451   8.293
  701   2HB   GLN  90          1HB       GLN  90  -9.409  -3.178   9.853
  702   1HG   GLN  90          1HG       GLN  90  -6.985  -1.747   8.788
  703   2HG   GLN  90          1HG       GLN  90  -8.621  -1.096   8.892
  704   1HE2  GLN  90          1HE2      GLN  90  -5.762  -0.804  10.260
  705   2HE2  GLN  90          2HE2      GLN  90  -6.199  -0.501  11.904
  706    H    ASP  91           H        ASP  91  -7.973  -5.541  11.999
  707    HA   ASP  91           HA       ASP  91  -8.528  -7.724  12.456
  708   1HB   ASP  91          1HB       ASP  91 -10.763  -6.491  10.883
  709   2HB   ASP  91          1HB       ASP  91 -10.898  -8.167  11.409
  710    H    GLY  92           H        GLY  92  -6.720  -7.573  10.274
  711   1HA   GLY  92          2HA       GLY  92  -5.998  -9.736   9.293
  712   2HA   GLY  92          1HA       GLY  92  -7.642  -9.890   8.704
  713    H    LEU  93           H        LEU  93  -8.252  -7.649   7.420
  714    HA   LEU  93           HA       LEU  93  -6.619  -7.857   5.120
  715   1HB   LEU  93          1HB       LEU  93  -8.853  -5.894   5.491
  716   2HB   LEU  93          1HB       LEU  93  -8.284  -6.634   4.017
  717    HG   LEU  93           HG       LEU  93 -10.348  -7.645   4.455
  718   1HD1  LEU  93          1HD1      LEU  93  -9.437  -9.560   3.858
  719   2HD1  LEU  93          2HD1      LEU  93  -9.333  -9.963   5.571
  720   3HD1  LEU  93          3HD1      LEU  93  -7.960  -9.218   4.756
  721   1HD2  LEU  93          1HD2      LEU  93 -11.124  -8.475   6.527
  722   2HD2  LEU  93          2HD2      LEU  93 -10.473  -6.866   6.837
  723   3HD2  LEU  93          3HD2      LEU  93  -9.542  -8.298   7.272
  724    H    LEU  94           H        LEU  94  -5.775  -6.204   3.872
  725    HA   LEU  94           HA       LEU  94  -4.155  -4.341   5.277
  726   1HB   LEU  94          1HB       LEU  94  -3.296  -5.325   3.277
  727   2HB   LEU  94          1HB       LEU  94  -4.698  -4.824   2.357
  728    HG   LEU  94           HG       LEU  94  -3.972  -2.534   2.346
  729   1HD1  LEU  94          1HD1      LEU  94  -2.609  -3.223   4.711
  730   2HD1  LEU  94          2HD1      LEU  94  -2.710  -1.639   3.933
  731   3HD1  LEU  94          3HD1      LEU  94  -1.389  -2.729   3.537
  732   1HD2  LEU  94          1HD2      LEU  94  -2.786  -3.220   0.586
  733   2HD2  LEU  94          2HD2      LEU  94  -2.259  -4.687   1.412
  734   3HD2  LEU  94          3HD2      LEU  94  -1.382  -3.175   1.652
  735    H    HIS  95           H        HIS  95  -4.175  -2.051   5.022
  736    HA   HIS  95           HA       HIS  95  -6.628  -0.857   4.041
  737   1HB   HIS  95          1HB       HIS  95  -5.757  -0.771   6.896
  738   2HB   HIS  95          1HB       HIS  95  -6.553   0.639   6.203
  739    HD1  HIS  95          1HD       HIS  95  -8.959   0.618   6.770
  740    HD2  HIS  95          2HD       HIS  95  -7.498  -3.215   6.112
  741    HE1  HIS  95          1HE       HIS  95 -10.940  -0.912   7.022
  742    HE2  HIS  95          2HE       HIS  95 -10.006  -3.232   6.729
  743    H    ILE  96           H        ILE  96  -6.382   1.192   3.238
  744    HA   ILE  96           HA       ILE  96  -3.910   2.625   3.739
  745    HB   ILE  96           HB       ILE  96  -3.436   2.831   1.237
  746   1HG1  ILE  96          1HG1      ILE  96  -5.585   1.612   0.646
  747   2HG1  ILE  96          1HG1      ILE  96  -4.135   1.083  -0.203
  748   1HG2  ILE  96          1HG2      ILE  96  -2.805   0.118   2.339
  749   2HG2  ILE  96          2HG2      ILE  96  -2.135   1.576   3.067
  750   3HG2  ILE  96          3HG2      ILE  96  -1.790   1.194   1.380
  751   1HD1  ILE  96          1HD1      ILE  96  -4.795  -0.958   0.379
  752   2HD1  ILE  96          2HD1      ILE  96  -5.879  -0.368   1.631
  753   3HD1  ILE  96          3HD1      ILE  96  -4.161  -0.571   1.967
  754    H    THR  97           H        THR  97  -3.765   4.598   2.299
  755    HA   THR  97           HA       THR  97  -6.225   5.658   1.249
  756    HB   THR  97           HB       THR  97  -6.129   7.656   2.840
  757    HG1  THR  97          1HG       THR  97  -4.649   7.597   4.301
  758   1HG2  THR  97          1HG2      THR  97  -7.480   6.663   4.531
  759   2HG2  THR  97          2HG2      THR  97  -6.859   5.056   4.158
  760   3HG2  THR  97          3HG2      THR  97  -7.880   5.900   2.992
  761    H    THR  98           H        THR  98  -5.909   7.907   0.415
  762    HA   THR  98           HA       THR  98  -3.358   8.116  -0.867
  763    HB   THR  98           HB       THR  98  -4.309   9.938  -2.095
  764    HG1  THR  98          1HG       THR  98  -5.477  11.230  -0.916
  765   1HG2  THR  98          1HG2      THR  98  -5.427   7.442  -2.081
  766   2HG2  THR  98          2HG2      THR  98  -5.735   8.706  -3.271
  767   3HG2  THR  98          3HG2      THR  98  -6.829   8.500  -1.901
  768    H    CYS  99           H        CYS  99  -3.931   8.643   2.134
  769    HA   CYS  99           HA       CYS  99  -2.266  11.057   2.357
  770   1HB   CYS  99          1HB       CYS  99  -4.580  10.126   4.015
  771   2HB   CYS  99          1HB       CYS  99  -3.315  11.089   4.772
  772    H    SER 100           H        SER 100  -1.883   8.050   2.122
  773    HA   SER 100           HA       SER 100  -0.100   7.673   4.428
  774   1HB   SER 100          1HB       SER 100  -2.160   5.949   3.344
  775   2HB   SER 100          1HB       SER 100  -0.587   5.171   3.189
  776    HG   SER 100           HG       SER 100  -1.361   6.366   5.618
  777    H    PHE 101           H        PHE 101   1.903   6.470   3.833
  778    HA   PHE 101           HA       PHE 101   2.999   7.537   1.446
  779   1HB   PHE 101          1HB       PHE 101   4.318   6.964   3.496
  780   2HB   PHE 101          1HB       PHE 101   4.210   5.271   3.014
  781    HD1  PHE 101          1HD       PHE 101   6.106   8.202   2.828
  782    HD2  PHE 101          2HD       PHE 101   4.982   4.802   0.530
  783    HE1  PHE 101          1HE       PHE 101   8.069   8.535   1.387
  784    HE2  PHE 101          2HE       PHE 101   6.949   5.126  -0.915
  785    HZ   PHE 101           HZ       PHE 101   8.496   6.995  -0.487
  786    H    VAL 102           H        VAL 102   2.165   6.866  -0.492
  787    HA   VAL 102           HA       VAL 102   2.515   4.056  -1.180
  788    HB   VAL 102           HB       VAL 102  -0.164   5.325  -1.724
  789   1HG1  VAL 102          1HG1      VAL 102  -0.404   3.587  -3.073
  790   2HG1  VAL 102          2HG1      VAL 102  -0.275   2.516  -1.677
  791   3HG1  VAL 102          3HG1      VAL 102   1.167   2.948  -2.594
  792   1HG2  VAL 102          1HG2      VAL 102   0.725   4.384   0.790
  793   2HG2  VAL 102          2HG2      VAL 102  -0.375   3.177   0.146
  794   3HG2  VAL 102          3HG2      VAL 102  -0.900   4.850   0.316
  795    H    ALA 103           H        ALA 103   3.790   4.243  -2.928
  796    HA   ALA 103           HA       ALA 103   2.736   5.491  -5.314
  797   1HB   ALA 103          1HB       ALA 103   5.374   6.630  -4.897
  798   2HB   ALA 103          2HB       ALA 103   4.204   7.155  -3.687
  799   3HB   ALA 103          3HB       ALA 103   3.873   7.404  -5.401
  800    HA   PRO 104           HA       PRO 104   5.186   2.772  -7.827
  801   1HB   PRO 104          1HB       PRO 104   6.848   5.072  -8.698
  802   2HB   PRO 104          1HB       PRO 104   6.077   3.816  -9.669
  803   1HG   PRO 104          1HG       PRO 104   5.008   6.254  -9.534
  804   2HG   PRO 104          1HG       PRO 104   3.958   4.823  -9.484
  805   1HD   PRO 104          1HD       PRO 104   4.785   6.648  -7.265
  806   2HD   PRO 104          1HD       PRO 104   3.250   5.796  -7.508
  807    H    TRP 105           H        TRP 105   6.657   1.427  -7.076
  808    HA   TRP 105           HA       TRP 105   8.761   1.973  -5.342
  809   1HB   TRP 105          1HB       TRP 105   7.887  -0.262  -6.244
  810   2HB   TRP 105          1HB       TRP 105   8.845   0.037  -7.660
  811    HD1  TRP 105           HD       TRP 105  10.749  -1.557  -7.566
  812    HE1  TRP 105          1HE       TRP 105  12.476  -2.255  -5.837
  813    HE3  TRP 105          3HE       TRP 105   9.009   1.093  -3.542
  814    HZ2  TRP 105          2HZ       TRP 105  13.035  -1.803  -3.086
  815    HZ3  TRP 105          3HZ       TRP 105  10.229   0.900  -1.395
  816    HH2  TRP 105           HH       TRP 105  12.197  -0.511  -1.214
  817    H    ASN 106           H        ASN 106   8.615   1.622  -8.800
  818    HA   ASN 106           HA       ASN 106  11.115   2.428  -9.415
  819   1HB   ASN 106          1HB       ASN 106   8.649   2.236 -11.049
  820   2HB   ASN 106          1HB       ASN 106  10.153   2.811 -11.762
  821   1HD2  ASN 106          1HD2      ASN 106   8.729   0.116  -9.982
  822   2HD2  ASN 106          2HD2      ASN 106   9.760  -1.100 -10.646
  823    H    SER 107           H        SER 107   9.373   4.396  -7.871
  824    HA   SER 107           HA       SER 107  10.236   6.783  -9.345
  825   1HB   SER 107          1HB       SER 107   7.772   6.729  -9.242
  826   2HB   SER 107          1HB       SER 107   7.851   6.610  -7.484
  827    HG   SER 107           HG       SER 107   7.691   8.794  -8.830
  828    H    LEU 108           H        LEU 108  10.299   4.999  -6.629
  829    HA   LEU 108           HA       LEU 108  11.221   6.786  -4.634
  830   1HB   LEU 108          1HB       LEU 108  10.963   3.915  -5.008
  831   2HB   LEU 108          1HB       LEU 108  12.175   4.399  -3.833
  832    HG   LEU 108           HG       LEU 108  10.618   5.124  -2.325
  833   1HD1  LEU 108          1HD1      LEU 108   9.535   6.879  -3.337
  834   2HD1  LEU 108          2HD1      LEU 108   8.217   5.723  -3.128
  835   3HD1  LEU 108          3HD1      LEU 108   8.994   5.902  -4.701
  836   1HD2  LEU 108          1HD2      LEU 108   8.819   3.567  -2.199
  837   2HD2  LEU 108          2HD2      LEU 108  10.220   2.743  -2.877
  838   3HD2  LEU 108          3HD2      LEU 108   8.900   3.252  -3.930
  839    H    SER 109           H        SER 109  13.217   6.458  -3.506
  840    HA   SER 109           HA       SER 109  15.497   6.899  -5.231
  841   1HB   SER 109          1HB       SER 109  16.164   6.537  -2.428
  842   2HB   SER 109          1HB       SER 109  16.393   7.919  -3.459
  843    HG   SER 109           HG       SER 109  14.284   8.576  -3.021
  844    H    LEU 110           H        LEU 110  16.414   5.297  -6.172
  845    HA   LEU 110           HA       LEU 110  16.322   2.640  -5.835
  846   1HB   LEU 110          1HB       LEU 110  18.471   2.546  -6.853
  847   2HB   LEU 110          1HB       LEU 110  17.649   3.963  -7.462
  848    HG   LEU 110           HG       LEU 110  19.822   4.668  -7.105
  849   1HD1  LEU 110          1HD1      LEU 110  17.842   5.742  -5.435
  850   2HD1  LEU 110          2HD1      LEU 110  19.208   6.535  -6.196
  851   3HD1  LEU 110          3HD1      LEU 110  19.389   5.806  -4.603
  852   1HD2  LEU 110          1HD2      LEU 110  21.194   3.457  -5.896
  853   2HD2  LEU 110          2HD2      LEU 110  19.844   2.686  -5.070
  854   3HD2  LEU 110          3HD2      LEU 110  20.503   4.203  -4.454
  855    H    ALA 111           H        ALA 111  17.953   4.888  -3.690
  856    HA   ALA 111           HA       ALA 111  19.349   2.863  -2.237
  857   1HB   ALA 111          1HB       ALA 111  19.954   5.386  -2.627
  858   2HB   ALA 111          2HB       ALA 111  20.403   4.576  -1.122
  859   3HB   ALA 111          3HB       ALA 111  18.975   5.615  -1.176
  860    H    GLN 112           H        GLN 112  16.581   4.851  -2.006
  861    HA   GLN 112           HA       GLN 112  15.679   3.807   0.554
  862   1HB   GLN 112          1HB       GLN 112  14.748   5.881   0.549
  863   2HB   GLN 112          1HB       GLN 112  15.062   6.079  -1.158
  864   1HG   GLN 112          1HG       GLN 112  13.021   4.791  -1.646
  865   2HG   GLN 112          1HG       GLN 112  12.671   4.772   0.080
  866   1HE2  GLN 112          1HE2      GLN 112  12.371   6.832   1.138
  867   2HE2  GLN 112          2HE2      GLN 112  11.736   8.164   0.239
  868    H    ARG 113           H        ARG 113  15.865   2.816  -2.506
  869    HA   ARG 113           HA       ARG 113  13.364   1.357  -2.564
  870   1HB   ARG 113          1HB       ARG 113  15.661   1.780  -4.373
  871   2HB   ARG 113          1HB       ARG 113  14.799   0.256  -4.534
  872   1HG   ARG 113          1HG       ARG 113  12.698   1.807  -4.591
  873   2HG   ARG 113          1HG       ARG 113  13.878   3.033  -5.066
  874   1HD   ARG 113          1HD       ARG 113  14.663   1.124  -6.690
  875   2HD   ARG 113          1HD       ARG 113  12.989   0.590  -6.481
  876    HE   ARG 113           HE       ARG 113  12.325   2.830  -7.269
  877   1HH1  ARG 113          1HH1      ARG 113  15.539   1.685  -8.047
  878   2HH1  ARG 113          2HH1      ARG 113  15.705   2.728  -9.417
  879   1HH2  ARG 113          1HH2      ARG 113  12.560   4.201  -9.056
  880   2HH2  ARG 113          2HH2      ARG 113  14.017   4.154  -9.991
  881    H    ARG 114           H        ARG 114  16.855   0.972  -2.005
  882    HA   ARG 114           HA       ARG 114  16.549  -1.795  -1.253
  883   1HB   ARG 114          1HB       ARG 114  18.805  -1.896  -0.993
  884   2HB   ARG 114          1HB       ARG 114  18.708  -0.555  -2.109
  885   1HG   ARG 114          1HG       ARG 114  20.324   0.047  -0.544
  886   2HG   ARG 114          1HG       ARG 114  18.895   0.938  -0.052
  887   1HD   ARG 114          1HD       ARG 114  18.849  -0.084   1.934
  888   2HD   ARG 114          1HD       ARG 114  18.974  -1.673   1.180
  889    HE   ARG 114           HE       ARG 114  21.226  -1.674   1.636
  890   1HH1  ARG 114          1HH1      ARG 114  19.990   1.567   2.060
  891   2HH1  ARG 114          2HH1      ARG 114  21.462   2.171   2.745
  892   1HH2  ARG 114          1HH2      ARG 114  23.158  -0.877   2.546
  893   2HH2  ARG 114          2HH2      ARG 114  23.258   0.786   3.019
  894    H    GLY 115           H        GLY 115  17.233   1.245   0.404
  895   1HA   GLY 115          2HA       GLY 115  17.174   0.379   2.997
  896   2HA   GLY 115          1HA       GLY 115  16.609   1.964   2.470
  897    H    PHE 116           H        PHE 116  14.268   1.273   0.964
  898    HA   PHE 116           HA       PHE 116  12.546   0.847   3.138
  899   1HB   PHE 116          1HB       PHE 116  12.187   0.603   0.182
  900   2HB   PHE 116          1HB       PHE 116  10.981  -0.186   1.191
  901    HD1  PHE 116          1HD       PHE 116  10.446   1.521   3.340
  902    HD2  PHE 116          2HD       PHE 116  11.431   2.612  -0.652
  903    HE1  PHE 116          1HE       PHE 116   9.285   3.667   3.648
  904    HE2  PHE 116          2HE       PHE 116  10.278   4.764  -0.352
  905    HZ   PHE 116           HZ       PHE 116   9.202   5.292   1.801
  906    H    THR 117           H        THR 117  13.571  -1.422   0.663
  907    HA   THR 117           HA       THR 117  12.745  -3.791   1.725
  908    HB   THR 117           HB       THR 117  14.440  -2.971  -0.345
  909    HG1  THR 117          1HG       THR 117  12.788  -4.894   0.161
  910   1HG2  THR 117          1HG2      THR 117  15.921  -4.754   1.516
  911   2HG2  THR 117          2HG2      THR 117  16.513  -3.486   0.446
  912   3HG2  THR 117          3HG2      THR 117  16.032  -5.045  -0.216
  913    H    LYS 118           H        LYS 118  15.285  -1.755   3.069
  914    HA   LYS 118           HA       LYS 118  15.641  -3.786   5.152
  915   1HB   LYS 118          1HB       LYS 118  17.981  -3.785   5.089
  916   2HB   LYS 118          1HB       LYS 118  17.468  -3.906   3.412
  917   1HG   LYS 118          1HG       LYS 118  18.636  -2.109   2.881
  918   2HG   LYS 118          1HG       LYS 118  17.818  -1.147   4.102
  919   1HD   LYS 118          1HD       LYS 118  19.467  -2.468   5.707
  920   2HD   LYS 118          1HD       LYS 118  20.422  -2.572   4.228
  921   1HE   LYS 118          1HE       LYS 118  21.116  -0.481   4.502
  922   2HE   LYS 118          1HE       LYS 118  19.452   0.094   4.506
  923   1HZ   LYS 118          1HZ       LYS 118  20.904  -0.932   6.885
  924   2HZ   LYS 118          2HZ       LYS 118  19.337  -0.294   6.870
  925   3HZ   LYS 118          3HZ       LYS 118  20.659   0.704   6.527
  926    H    THR 119           H        THR 119  16.201  -0.368   4.366
  927    HA   THR 119           HA       THR 119  17.188   0.467   6.814
  928    HB   THR 119           HB       THR 119  16.292   2.745   6.094
  929    HG1  THR 119          1HG       THR 119  16.041   2.440   3.619
  930   1HG2  THR 119          1HG2      THR 119  18.132   1.369   4.141
  931   2HG2  THR 119          2HG2      THR 119  18.634   2.025   5.696
  932   3HG2  THR 119          3HG2      THR 119  17.998   3.098   4.450
  933    H    TYR 120           H        TYR 120  13.700   0.782   5.732
  934    HA   TYR 120           HA       TYR 120  13.299   2.285   8.058
  935   1HB   TYR 120          1HB       TYR 120  11.076   1.387   6.306
  936   2HB   TYR 120          1HB       TYR 120  11.219   2.821   7.294
  937    HD1  TYR 120          1HD       TYR 120  13.445   1.490   4.592
  938    HD2  TYR 120          2HD       TYR 120  10.930   4.631   5.960
  939    HE1  TYR 120          1HE       TYR 120  13.986   2.788   2.590
  940    HE2  TYR 120          2HE       TYR 120  11.476   5.942   3.952
  941    HH   TYR 120           HH       TYR 120  14.008   5.078   1.846
  942    H    THR 121           H        THR 121  13.847  -0.620   8.432
  943    HA   THR 121           HA       THR 121  11.326  -1.432   9.642
  944    HB   THR 121           HB       THR 121  11.875  -3.510   9.112
  945    HG1  THR 121          1HG       THR 121  13.968  -4.382   9.858
  946   1HG2  THR 121          1HG2      THR 121  13.576  -2.023   7.489
  947   2HG2  THR 121          2HG2      THR 121  13.069  -3.693   7.269
  948   3HG2  THR 121          3HG2      THR 121  14.565  -3.333   8.131
  949    H    VAL 122           H        VAL 122  14.459  -0.603  10.220
  950    HA   VAL 122           HA       VAL 122  14.193  -0.517  13.160
  951    HB   VAL 122           HB       VAL 122  16.830  -0.877  11.766
  952   1HG1  VAL 122          1HG1      VAL 122  17.334  -0.249  13.906
  953   2HG1  VAL 122          2HG1      VAL 122  17.201  -1.992  14.140
  954   3HG1  VAL 122          3HG1      VAL 122  15.856  -0.937  14.575
  955   1HG2  VAL 122          1HG2      VAL 122  16.006  -3.309  13.011
  956   2HG2  VAL 122          2HG2      VAL 122  16.420  -3.017  11.322
  957   3HG2  VAL 122          3HG2      VAL 122  14.760  -2.805  11.873
  958    H    GLY 123           H        GLY 123  15.210   1.047  10.229
  959   1HA   GLY 123          2HA       GLY 123  15.911   3.456  11.783
  960   2HA   GLY 123          1HA       GLY 123  16.755   3.002  10.308
  961    H    CYS 124           H        CYS 124  13.363   2.686  10.856
  962    HA   CYS 124           HA       CYS 124  12.501   3.842   8.472
  963   1HB   CYS 124          1HB       CYS 124  10.288   3.867   9.583
  964   2HB   CYS 124          1HB       CYS 124  11.173   2.359   9.828
  965    H    GLU 125           H        GLU 125  14.140   5.776   8.807
  966    HA   GLU 125           HA       GLU 125  12.557   8.008   9.879
  967   1HB   GLU 125          1HB       GLU 125  15.205   8.844  10.076
  968   2HB   GLU 125          1HB       GLU 125  14.133   8.400  11.396
  969   1HG   GLU 125          1HG       GLU 125  14.913   5.982  10.872
  970   2HG   GLU 125          1HG       GLU 125  16.257   6.795  10.059
  971    H    GLU 126           H        GLU 126  12.108   7.532   7.368
  972    HA   GLU 126           HA       GLU 126  13.878   9.287   5.855
  973   1HB   GLU 126          1HB       GLU 126  12.200   6.976   5.141
  974   2HB   GLU 126          1HB       GLU 126  12.339   8.253   3.941
  975   1HG   GLU 126          1HG       GLU 126  14.787   7.140   5.223
  976   2HG   GLU 126          1HG       GLU 126  14.001   6.272   3.909
  Start of MODEL   13
    1   1H    CYS   1          1HT       CYS   1  -9.161  15.080   0.356
    2   2H    CYS   1          2HT       CYS   1  -7.739  15.976   0.702
    3   3H    CYS   1          3HT       CYS   1  -8.969  15.823   1.889
    4    HA   CYS   1           HA       CYS   1  -7.444  14.335   2.598
    5   1HB   CYS   1          1HB       CYS   1  -9.781  13.352   1.216
    6   2HB   CYS   1          1HB       CYS   1  -8.506  12.151   1.175
    7    H    THR   2           H        THR   2  -7.515  14.607  -0.866
    8    HA   THR   2           HA       THR   2  -5.583  12.637  -1.439
    9    HB   THR   2           HB       THR   2  -5.343  13.838  -3.620
   10    HG1  THR   2          1HG       THR   2  -7.461  15.505  -2.903
   11   1HG2  THR   2          1HG2      THR   2  -6.998  12.314  -3.896
   12   2HG2  THR   2          2HG2      THR   2  -7.946  13.788  -4.092
   13   3HG2  THR   2          3HG2      THR   2  -7.950  12.934  -2.549
   14    H    CYS   3           H        CYS   3  -3.994  12.938   0.143
   15    HA   CYS   3           HA       CYS   3  -2.332  15.334   0.000
   16   1HB   CYS   3          1HB       CYS   3  -1.879  12.908   1.714
   17   2HB   CYS   3          1HB       CYS   3  -1.298  14.532   1.992
   18    H    VAL   4           H        VAL   4   0.102  14.838   0.178
   19    HA   VAL   4           HA       VAL   4   0.784  12.933  -1.948
   20    HB   VAL   4           HB       VAL   4   2.682  14.175  -2.455
   21   1HG1  VAL   4          1HG1      VAL   4   1.711  16.017  -3.239
   22   2HG1  VAL   4          2HG1      VAL   4   1.390  16.641  -1.622
   23   3HG1  VAL   4          3HG1      VAL   4   0.270  15.498  -2.364
   24   1HG2  VAL   4          1HG2      VAL   4   3.686  14.305  -0.268
   25   2HG2  VAL   4          2HG2      VAL   4   2.486  15.488   0.254
   26   3HG2  VAL   4          3HG2      VAL   4   3.659  15.913  -0.991
   27    HA   PRO   5           HA       PRO   5   2.628   9.935   0.642
   28   1HB   PRO   5          1HB       PRO   5   5.200  10.606  -0.741
   29   2HB   PRO   5          1HB       PRO   5   4.499   9.025  -0.380
   30   1HG   PRO   5          1HG       PRO   5   4.315  10.055  -2.826
   31   2HG   PRO   5          1HG       PRO   5   2.959   9.162  -2.112
   32   1HD   PRO   5          1HD       PRO   5   3.270  12.080  -2.570
   33   2HD   PRO   5          1HD       PRO   5   1.795  11.095  -2.509
   34    HA   PRO   6           HA       PRO   6   4.496  12.763   3.721
   35   1HB   PRO   6          1HB       PRO   6   3.495  10.996   5.734
   36   2HB   PRO   6          1HB       PRO   6   2.917  12.614   5.339
   37   1HG   PRO   6          1HG       PRO   6   1.498  10.277   4.947
   38   2HG   PRO   6          1HG       PRO   6   1.179  11.810   4.122
   39   1HD   PRO   6          1HD       PRO   6   2.594   9.380   3.136
   40   2HD   PRO   6          1HD       PRO   6   1.580  10.538   2.249
   41    H    HIS   7           H        HIS   7   6.280  12.488   5.062
   42    HA   HIS   7           HA       HIS   7   8.314  11.038   4.435
   43   1HB   HIS   7          1HB       HIS   7   7.375  11.470   7.263
   44   2HB   HIS   7          1HB       HIS   7   9.002  10.983   6.823
   45    HD1  HIS   7          1HD       HIS   7   9.321  12.939   4.385
   46    HD2  HIS   7          2HD       HIS   7   7.986  13.991   8.177
   47    HE1  HIS   7          1HE       HIS   7   9.782  15.401   4.602
   48    HE2  HIS   7          2HE       HIS   7   9.029  16.003   6.929
   49    HA   PRO   8           HA       PRO   8   7.327   6.698   4.742
   50   1HB   PRO   8          1HB       PRO   8   9.693   5.783   3.960
   51   2HB   PRO   8          1HB       PRO   8   8.630   6.606   2.808
   52   1HG   PRO   8          1HG       PRO   8  10.867   7.750   4.431
   53   2HG   PRO   8          1HG       PRO   8  10.637   7.847   2.674
   54   1HD   PRO   8          1HD       PRO   8   9.882   9.856   4.275
   55   2HD   PRO   8          1HD       PRO   8   8.887   9.384   2.885
   56    H    GLN   9           H        GLN   9   9.462   8.618   6.499
   57    HA   GLN   9           HA       GLN   9  10.587   6.529   8.115
   58   1HB   GLN   9          1HB       GLN   9  11.397   8.345   9.549
   59   2HB   GLN   9          1HB       GLN   9  11.788   8.668   7.875
   60   1HG   GLN   9          1HG       GLN   9   9.847  10.176   7.761
   61   2HG   GLN   9          1HG       GLN   9   9.607   9.935   9.490
   62   1HE2  GLN   9          1HE2      GLN   9  10.043  12.021  10.117
   63   2HE2  GLN   9          2HE2      GLN   9  11.601  12.752   9.976
   64    H    THR  10           H        THR  10   7.776   8.608   8.001
   65    HA   THR  10           HA       THR  10   6.874   7.805  10.612
   66    HB   THR  10           HB       THR  10   6.400   9.937   8.614
   67    HG1  THR  10          1HG       THR  10   6.029   9.933  11.410
   68   1HG2  THR  10          1HG2      THR  10   4.097   8.517   9.436
   69   2HG2  THR  10          2HG2      THR  10   4.218   9.997   8.478
   70   3HG2  THR  10          3HG2      THR  10   4.105  10.084  10.240
   71    H    ALA  11           H        ALA  11   6.070   7.766   7.142
   72    HA   ALA  11           HA       ALA  11   3.731   6.253   7.218
   73   1HB   ALA  11          1HB       ALA  11   3.977   5.937   4.936
   74   2HB   ALA  11          2HB       ALA  11   5.733   6.053   5.017
   75   3HB   ALA  11          3HB       ALA  11   4.744   7.492   5.269
   76    H    PHE  12           H        PHE  12   7.103   5.101   6.645
   77    HA   PHE  12           HA       PHE  12   6.385   2.397   6.501
   78   1HB   PHE  12          1HB       PHE  12   8.731   3.602   6.101
   79   2HB   PHE  12          1HB       PHE  12   9.005   3.086   7.759
   80    HD1  PHE  12          1HD       PHE  12   9.665   2.205   4.533
   81    HD2  PHE  12          2HD       PHE  12   8.045   0.518   8.088
   82    HE1  PHE  12          1HE       PHE  12  10.241  -0.052   3.735
   83    HE2  PHE  12          2HE       PHE  12   8.633  -1.727   7.283
   84    HZ   PHE  12           HZ       PHE  12   9.723  -2.014   5.108
   85    H    CYS  13           H        CYS  13   7.855   4.101   9.318
   86    HA   CYS  13           HA       CYS  13   7.480   2.059  11.096
   87   1HB   CYS  13          1HB       CYS  13   8.584   4.646  11.044
   88   2HB   CYS  13          1HB       CYS  13   7.472   4.608  12.398
   89    H    ASN  14           H        ASN  14   4.960   4.502  10.160
   90    HA   ASN  14           HA       ASN  14   3.619   3.984  12.641
   91   1HB   ASN  14          1HB       ASN  14   3.679   6.218  11.286
   92   2HB   ASN  14          1HB       ASN  14   2.521   5.430  10.222
   93   1HD2  ASN  14          1HD2      ASN  14   0.430   5.400  10.788
   94   2HD2  ASN  14          2HD2      ASN  14  -0.193   5.984  12.291
   95    H    SER  15           H        SER  15   3.446   3.202   9.170
   96    HA   SER  15           HA       SER  15   1.062   1.769   9.357
   97   1HB   SER  15          1HB       SER  15   2.719   2.644   7.302
   98   2HB   SER  15          1HB       SER  15   2.628   0.904   7.151
   99    HG   SER  15           HG       SER  15   0.860   2.595   6.336
  100    H    ASP  16           H        ASP  16   0.762  -0.187   9.433
  101    HA   ASP  16           HA       ASP  16   2.728  -1.980  10.510
  102   1HB   ASP  16          1HB       ASP  16  -0.220  -1.869  10.424
  103   2HB   ASP  16          1HB       ASP  16   0.590  -3.345  10.948
  104    H    LEU  17           H        LEU  17   2.169  -1.321   7.579
  105    HA   LEU  17           HA       LEU  17   2.995  -3.769   6.653
  106   1HB   LEU  17          1HB       LEU  17   0.086  -3.539   6.631
  107   2HB   LEU  17          1HB       LEU  17   0.783  -4.041   5.095
  108    HG   LEU  17           HG       LEU  17   2.141  -5.526   7.044
  109   1HD1  LEU  17          1HD1      LEU  17  -0.598  -4.951   7.867
  110   2HD1  LEU  17          2HD1      LEU  17   0.767  -5.562   8.794
  111   3HD1  LEU  17          3HD1      LEU  17  -0.186  -6.660   7.819
  112   1HD2  LEU  17          1HD2      LEU  17   0.904  -7.425   6.020
  113   2HD2  LEU  17          2HD2      LEU  17   1.684  -6.344   4.866
  114   3HD2  LEU  17          3HD2      LEU  17  -0.056  -6.244   5.129
  115    H    VAL  18           H        VAL  18   4.210  -3.437   4.962
  116    HA   VAL  18           HA       VAL  18   3.483  -1.320   3.059
  117    HB   VAL  18           HB       VAL  18   6.321  -1.693   4.001
  118   1HG1  VAL  18          1HG1      VAL  18   6.205   0.844   3.238
  119   2HG1  VAL  18          2HG1      VAL  18   4.844   0.238   2.296
  120   3HG1  VAL  18          3HG1      VAL  18   6.444  -0.473   2.091
  121   1HG2  VAL  18          1HG2      VAL  18   4.209  -0.566   5.570
  122   2HG2  VAL  18          2HG2      VAL  18   5.319   0.718   5.099
  123   3HG2  VAL  18          3HG2      VAL  18   5.924  -0.702   5.950
  124    H    ILE  19           H        ILE  19   3.776  -2.039   0.940
  125    HA   ILE  19           HA       ILE  19   5.791  -4.031   0.420
  126    HB   ILE  19           HB       ILE  19   4.285  -5.690  -0.407
  127   1HG1  ILE  19          1HG1      ILE  19   2.533  -4.099  -1.230
  128   2HG1  ILE  19          1HG1      ILE  19   1.887  -5.499  -0.388
  129   1HG2  ILE  19          1HG2      ILE  19   4.761  -5.508   2.083
  130   2HG2  ILE  19          2HG2      ILE  19   3.430  -6.529   1.573
  131   3HG2  ILE  19          3HG2      ILE  19   3.103  -4.932   2.237
  132   1HD1  ILE  19          1HD1      ILE  19   1.065  -4.264   1.319
  133   2HD1  ILE  19          2HD1      ILE  19   1.020  -3.037   0.055
  134   3HD1  ILE  19          3HD1      ILE  19   2.339  -3.058   1.216
  135    H    ARG  20           H        ARG  20   6.051  -4.487  -1.759
  136    HA   ARG  20           HA       ARG  20   5.143  -2.349  -3.529
  137   1HB   ARG  20          1HB       ARG  20   6.874  -2.963  -5.108
  138   2HB   ARG  20          1HB       ARG  20   7.574  -2.719  -3.520
  139   1HG   ARG  20          1HG       ARG  20   8.376  -4.795  -3.449
  140   2HG   ARG  20          1HG       ARG  20   6.866  -5.492  -4.029
  141   1HD   ARG  20          1HD       ARG  20   7.925  -5.902  -5.938
  142   2HD   ARG  20          1HD       ARG  20   7.914  -4.170  -6.230
  143    HE   ARG  20           HE       ARG  20  10.138  -4.316  -4.877
  144   1HH1  ARG  20          1HH1      ARG  20   8.993  -6.575  -7.276
  145   2HH1  ARG  20          2HH1      ARG  20  10.569  -7.136  -7.693
  146   1HH2  ARG  20          1HH2      ARG  20  12.232  -5.042  -5.452
  147   2HH2  ARG  20          2HH2      ARG  20  12.406  -6.267  -6.666
  148    H    ALA  21           H        ALA  21   3.826  -2.619  -4.997
  149    HA   ALA  21           HA       ALA  21   3.045  -5.255  -6.048
  150   1HB   ALA  21          1HB       ALA  21   1.555  -5.460  -4.373
  151   2HB   ALA  21          2HB       ALA  21   0.555  -4.501  -5.462
  152   3HB   ALA  21          3HB       ALA  21   1.410  -3.723  -4.128
  153    H    LYS  22           H        LYS  22   1.163  -5.191  -7.372
  154    HA   LYS  22           HA       LYS  22   0.957  -2.882  -9.198
  155   1HB   LYS  22          1HB       LYS  22   1.486  -5.741  -9.671
  156   2HB   LYS  22          1HB       LYS  22   0.284  -5.045 -10.736
  157   1HG   LYS  22          1HG       LYS  22   1.844  -3.681 -11.749
  158   2HG   LYS  22          1HG       LYS  22   2.911  -3.682 -10.342
  159   1HD   LYS  22          1HD       LYS  22   2.670  -6.358 -11.215
  160   2HD   LYS  22          1HD       LYS  22   2.967  -5.367 -12.637
  161   1HE   LYS  22          1HE       LYS  22   5.084  -5.998 -11.827
  162   2HE   LYS  22          1HE       LYS  22   4.859  -4.309 -11.374
  163   1HZ   LYS  22          1HZ       LYS  22   5.771  -5.748  -9.590
  164   2HZ   LYS  22          2HZ       LYS  22   4.298  -6.579  -9.555
  165   3HZ   LYS  22          3HZ       LYS  22   4.350  -4.936  -9.162
  166    H    PHE  23           H        PHE  23  -1.207  -2.550 -10.067
  167    HA   PHE  23           HA       PHE  23  -3.312  -3.820  -8.433
  168   1HB   PHE  23          1HB       PHE  23  -3.127  -1.232  -9.927
  169   2HB   PHE  23          1HB       PHE  23  -4.708  -1.982  -9.742
  170    HD1  PHE  23          1HD       PHE  23  -1.761  -0.839  -7.786
  171    HD2  PHE  23          2HD       PHE  23  -5.939  -1.657  -7.805
  172    HE1  PHE  23          1HE       PHE  23  -1.959   0.133  -5.535
  173    HE2  PHE  23          2HE       PHE  23  -6.143  -0.685  -5.554
  174    HZ   PHE  23           HZ       PHE  23  -4.152   0.210  -4.416
  175    H    VAL  24           H        VAL  24  -4.394  -5.345  -9.133
  176    HA   VAL  24           HA       VAL  24  -4.734  -5.693 -12.010
  177    HB   VAL  24           HB       VAL  24  -4.211  -8.053 -11.687
  178   1HG1  VAL  24          1HG1      VAL  24  -1.972  -6.314 -10.766
  179   2HG1  VAL  24          2HG1      VAL  24  -2.558  -6.361 -12.420
  180   3HG1  VAL  24          3HG1      VAL  24  -1.855  -7.806 -11.702
  181   1HG2  VAL  24          1HG2      VAL  24  -2.788  -8.464  -9.518
  182   2HG2  VAL  24          2HG2      VAL  24  -4.534  -8.708  -9.529
  183   3HG2  VAL  24          3HG2      VAL  24  -3.857  -7.215  -8.879
  184    H    GLY  25           H        GLY  25  -6.732  -4.721 -10.308
  185   1HA   GLY  25          2HA       GLY  25  -8.850  -6.457 -10.966
  186   2HA   GLY  25          1HA       GLY  25  -8.555  -6.538  -9.239
  187    H    THR  26           H        THR  26 -10.976  -5.553 -10.132
  188    HA   THR  26           HA       THR  26 -10.789  -2.652 -10.115
  189    HB   THR  26           HB       THR  26 -13.439  -3.172 -10.245
  190    HG1  THR  26          1HG       THR  26 -13.839  -5.126 -10.916
  191   1HG2  THR  26          1HG2      THR  26 -11.507  -3.348 -12.546
  192   2HG2  THR  26          2HG2      THR  26 -12.254  -1.884 -11.906
  193   3HG2  THR  26          3HG2      THR  26 -13.249  -3.112 -12.686
  194    HA   PRO  27           HA       PRO  27 -12.041  -2.099  -5.939
  195   1HB   PRO  27          1HB       PRO  27 -13.245   0.285  -6.026
  196   2HB   PRO  27          1HB       PRO  27 -11.526   0.091  -6.362
  197   1HG   PRO  27          1HG       PRO  27 -13.802   0.449  -8.257
  198   2HG   PRO  27          1HG       PRO  27 -12.162   1.115  -8.338
  199   1HD   PRO  27          1HD       PRO  27 -13.052  -1.114  -9.742
  200   2HD   PRO  27          1HD       PRO  27 -11.358  -0.734  -9.409
  201    H    GLU  28           H        GLU  28 -13.503  -3.102  -4.772
  202    HA   GLU  28           HA       GLU  28 -16.293  -3.144  -5.655
  203   1HB   GLU  28          1HB       GLU  28 -14.597  -4.984  -4.246
  204   2HB   GLU  28          1HB       GLU  28 -16.029  -4.643  -3.283
  205   1HG   GLU  28          1HG       GLU  28 -17.392  -5.134  -5.340
  206   2HG   GLU  28          1HG       GLU  28 -15.905  -5.731  -6.076
  207    H    VAL  29           H        VAL  29 -17.413  -1.435  -5.035
  208    HA   VAL  29           HA       VAL  29 -16.882  -0.294  -2.390
  209    HB   VAL  29           HB       VAL  29 -18.626   0.926  -4.491
  210   1HG1  VAL  29          1HG1      VAL  29 -17.021   2.591  -2.692
  211   2HG1  VAL  29          2HG1      VAL  29 -18.275   1.638  -1.911
  212   3HG1  VAL  29          3HG1      VAL  29 -18.694   2.759  -3.206
  213   1HG2  VAL  29          1HG2      VAL  29 -16.757   0.940  -5.771
  214   2HG2  VAL  29          2HG2      VAL  29 -15.675   0.768  -4.390
  215   3HG2  VAL  29          3HG2      VAL  29 -16.382   2.338  -4.770
  216    H    ASN  30           H        ASN  30 -18.206  -1.476  -0.860
  217    HA   ASN  30           HA       ASN  30 -20.922  -2.054  -1.499
  218   1HB   ASN  30          1HB       ASN  30 -19.383  -2.929   0.508
  219   2HB   ASN  30          1HB       ASN  30 -20.222  -1.632   1.352
  220   1HD2  ASN  30          1HD2      ASN  30 -22.098  -2.116   2.257
  221   2HD2  ASN  30          2HD2      ASN  30 -23.103  -3.453   1.830
  222    H    GLN  31           H        GLN  31 -22.765  -1.044  -0.716
  223    HA   GLN  31           HA       GLN  31 -22.602   1.844  -0.734
  224   1HB   GLN  31          1HB       GLN  31 -25.011   0.054  -0.392
  225   2HB   GLN  31          1HB       GLN  31 -25.050   1.777  -0.759
  226   1HG   GLN  31          1HG       GLN  31 -23.729  -0.209  -2.570
  227   2HG   GLN  31          1HG       GLN  31 -25.452   0.145  -2.669
  228   1HE2  GLN  31          1HE2      GLN  31 -22.232   1.470  -3.002
  229   2HE2  GLN  31          2HE2      GLN  31 -22.679   2.829  -3.972
  230    H    THR  32           H        THR  32 -22.454  -0.561   1.579
  231    HA   THR  32           HA       THR  32 -23.113   1.373   3.673
  232    HB   THR  32           HB       THR  32 -24.449  -1.142   2.900
  233    HG1  THR  32          1HG       THR  32 -25.674   0.632   2.824
  234   1HG2  THR  32          1HG2      THR  32 -25.001  -2.067   4.890
  235   2HG2  THR  32          2HG2      THR  32 -24.682  -0.598   5.809
  236   3HG2  THR  32          3HG2      THR  32 -23.346  -1.598   5.245
  237    H    THR  33           H        THR  33 -20.529   0.606   2.756
  238    HA   THR  33           HA       THR  33 -19.589  -1.152   4.899
  239    HB   THR  33           HB       THR  33 -18.454  -1.922   3.062
  240    HG1  THR  33          1HG       THR  33 -16.420  -0.875   2.832
  241   1HG2  THR  33          1HG2      THR  33 -19.531   0.064   1.625
  242   2HG2  THR  33          2HG2      THR  33 -18.251  -0.976   1.012
  243   3HG2  THR  33          3HG2      THR  33 -17.860   0.600   1.699
  244    H    LEU  34           H        LEU  34 -18.886   1.762   3.072
  245    HA   LEU  34           HA       LEU  34 -18.230   3.841   3.970
  246   1HB   LEU  34          1HB       LEU  34 -17.917   2.202   6.373
  247   2HB   LEU  34          1HB       LEU  34 -16.691   3.396   6.143
  248    HG   LEU  34           HG       LEU  34 -19.645   3.938   6.178
  249   1HD1  LEU  34          1HD1      LEU  34 -18.036   5.019   8.344
  250   2HD1  LEU  34          2HD1      LEU  34 -18.049   3.254   8.313
  251   3HD1  LEU  34          3HD1      LEU  34 -19.568   4.147   8.396
  252   1HD2  LEU  34          1HD2      LEU  34 -17.818   5.424   4.933
  253   2HD2  LEU  34          2HD2      LEU  34 -17.570   6.026   6.579
  254   3HD2  LEU  34          3HD2      LEU  34 -19.162   6.143   5.831
  255    H    TYR  35           H        TYR  35 -16.848   0.970   3.278
  256    HA   TYR  35           HA       TYR  35 -14.409   2.207   2.318
  257   1HB   TYR  35          1HB       TYR  35 -13.193   0.000   3.014
  258   2HB   TYR  35          1HB       TYR  35 -13.331   1.362   4.103
  259    HD1  TYR  35          1HD       TYR  35 -15.125   1.406   5.758
  260    HD2  TYR  35          2HD       TYR  35 -14.034  -2.091   3.629
  261    HE1  TYR  35          1HE       TYR  35 -16.200   0.076   7.464
  262    HE2  TYR  35          2HE       TYR  35 -15.131  -3.482   5.351
  263    HH   TYR  35           HH       TYR  35 -16.166  -3.485   7.334
  264    H    GLN  36           H        GLN  36 -13.123   0.711   0.933
  265    HA   GLN  36           HA       GLN  36 -14.966  -0.907  -0.679
  266   1HB   GLN  36          1HB       GLN  36 -12.926   1.125  -1.555
  267   2HB   GLN  36          1HB       GLN  36 -13.777   0.043  -2.657
  268   1HG   GLN  36          1HG       GLN  36 -15.606   1.288  -2.618
  269   2HG   GLN  36          1HG       GLN  36 -15.518   1.523  -0.876
  270   1HE2  GLN  36          1HE2      GLN  36 -15.756   3.254  -3.496
  271   2HE2  GLN  36          2HE2      GLN  36 -14.742   4.598  -3.136
  272    H    ARG  37           H        ARG  37 -13.408  -1.929  -2.535
  273    HA   ARG  37           HA       ARG  37 -10.991  -2.958  -1.277
  274   1HB   ARG  37          1HB       ARG  37 -13.420  -4.466  -1.535
  275   2HB   ARG  37          1HB       ARG  37 -12.169  -5.191  -2.537
  276   1HG   ARG  37          1HG       ARG  37 -10.862  -4.641  -0.171
  277   2HG   ARG  37          1HG       ARG  37 -12.465  -5.169   0.347
  278   1HD   ARG  37          1HD       ARG  37 -10.646  -6.664  -1.540
  279   2HD   ARG  37          1HD       ARG  37 -10.879  -7.040   0.161
  280    HE   ARG  37           HE       ARG  37 -12.571  -7.791  -1.982
  281   1HH1  ARG  37          1HH1      ARG  37 -12.654  -6.801   1.353
  282   2HH1  ARG  37          2HH1      ARG  37 -14.111  -7.659   1.708
  283   1HH2  ARG  37          1HH2      ARG  37 -14.484  -8.924  -1.524
  284   2HH2  ARG  37          2HH2      ARG  37 -15.148  -8.870   0.075
  285    H    TYR  38           H        TYR  38  -9.424  -3.362  -2.584
  286    HA   TYR  38           HA       TYR  38  -9.878  -3.269  -5.512
  287   1HB   TYR  38          1HB       TYR  38  -8.001  -1.692  -3.851
  288   2HB   TYR  38          1HB       TYR  38  -7.298  -2.391  -5.295
  289    HD1  TYR  38          1HD       TYR  38  -9.128  -2.017  -7.401
  290    HD2  TYR  38          2HD       TYR  38  -8.461   0.548  -4.070
  291    HE1  TYR  38          1HE       TYR  38  -9.898  -0.090  -8.719
  292    HE2  TYR  38          2HE       TYR  38  -9.248   2.463  -5.371
  293    HH   TYR  38           HH       TYR  38  -9.591   3.172  -7.580
  294    H    GLU  39           H        GLU  39  -8.514  -4.691  -6.714
  295    HA   GLU  39           HA       GLU  39  -7.192  -6.732  -5.073
  296   1HB   GLU  39          1HB       GLU  39  -9.019  -7.405  -6.688
  297   2HB   GLU  39          1HB       GLU  39  -7.989  -6.849  -7.984
  298   1HG   GLU  39          1HG       GLU  39  -6.363  -8.523  -7.528
  299   2HG   GLU  39          1HG       GLU  39  -7.221  -9.024  -6.072
  300    H    ILE  40           H        ILE  40  -4.976  -7.150  -5.389
  301    HA   ILE  40           HA       ILE  40  -3.730  -5.611  -7.548
  302    HB   ILE  40           HB       ILE  40  -1.951  -4.942  -5.796
  303   1HG1  ILE  40          1HG1      ILE  40  -4.092  -4.739  -3.801
  304   2HG1  ILE  40          1HG1      ILE  40  -3.545  -6.384  -4.110
  305   1HG2  ILE  40          1HG2      ILE  40  -2.852  -3.033  -6.486
  306   2HG2  ILE  40          2HG2      ILE  40  -3.874  -3.113  -5.054
  307   3HG2  ILE  40          3HG2      ILE  40  -4.464  -3.731  -6.595
  308   1HD1  ILE  40          1HD1      ILE  40  -1.480  -6.008  -3.243
  309   2HD1  ILE  40          2HD1      ILE  40  -2.411  -4.853  -2.289
  310   3HD1  ILE  40          3HD1      ILE  40  -1.482  -4.300  -3.682
  311    H    LYS  41           H        LYS  41  -2.039  -6.448  -8.450
  312    HA   LYS  41           HA       LYS  41  -1.135  -9.056  -7.787
  313   1HB   LYS  41          1HB       LYS  41  -1.098  -7.562 -10.044
  314   2HB   LYS  41          1HB       LYS  41   0.565  -7.405  -9.540
  315   1HG   LYS  41          1HG       LYS  41  -0.880  -9.998 -10.011
  316   2HG   LYS  41          1HG       LYS  41   0.254  -9.228 -11.123
  317   1HD   LYS  41          1HD       LYS  41   0.943 -10.046  -8.310
  318   2HD   LYS  41          1HD       LYS  41   1.243 -11.052  -9.728
  319   1HE   LYS  41          1HE       LYS  41   2.908  -9.672 -10.519
  320   2HE   LYS  41          1HE       LYS  41   2.257  -8.247  -9.715
  321   1HZ   LYS  41          1HZ       LYS  41   3.887  -8.592  -8.257
  322   2HZ   LYS  41          2HZ       LYS  41   4.154 -10.185  -8.758
  323   3HZ   LYS  41          3HZ       LYS  41   2.927  -9.845  -7.643
  324    H    MET  42           H        MET  42  -0.487  -8.726  -5.617
  325    HA   MET  42           HA       MET  42   1.438  -6.881  -4.789
  326   1HB   MET  42          1HB       MET  42  -0.015  -8.186  -3.234
  327   2HB   MET  42          1HB       MET  42   0.971  -9.603  -3.577
  328   1HG   MET  42          1HG       MET  42   2.825  -7.686  -2.883
  329   2HG   MET  42          1HG       MET  42   1.476  -7.367  -1.794
  330   1HE   MET  42          1HE       MET  42   3.685  -9.858  -3.394
  331   2HE   MET  42          2HE       MET  42   3.811 -11.231  -2.295
  332   3HE   MET  42          3HE       MET  42   4.746  -9.769  -1.989
  333    H    THR  43           H        THR  43   3.554  -6.754  -5.065
  334    HA   THR  43           HA       THR  43   4.769  -8.845  -6.596
  335    HB   THR  43           HB       THR  43   6.220  -6.393  -5.695
  336    HG1  THR  43          1HG       THR  43   4.816  -5.234  -6.706
  337   1HG2  THR  43          1HG2      THR  43   6.675  -8.493  -7.597
  338   2HG2  THR  43          2HG2      THR  43   7.749  -7.218  -7.047
  339   3HG2  THR  43          3HG2      THR  43   6.652  -6.920  -8.388
  340    H    LYS  44           H        LYS  44   5.798  -7.026  -3.684
  341    HA   LYS  44           HA       LYS  44   6.633  -9.447  -2.364
  342   1HB   LYS  44          1HB       LYS  44   8.597  -7.451  -3.440
  343   2HB   LYS  44          1HB       LYS  44   8.943  -8.271  -1.923
  344   1HG   LYS  44          1HG       LYS  44   8.282  -9.747  -4.455
  345   2HG   LYS  44          1HG       LYS  44   9.927  -9.301  -3.998
  346   1HD   LYS  44          1HD       LYS  44   9.215 -10.461  -1.726
  347   2HD   LYS  44          1HD       LYS  44   8.093 -11.305  -2.793
  348   1HE   LYS  44          1HE       LYS  44  10.238 -11.637  -4.265
  349   2HE   LYS  44          1HE       LYS  44  11.074 -11.363  -2.737
  350   1HZ   LYS  44          1HZ       LYS  44  10.617 -13.423  -2.116
  351   2HZ   LYS  44          2HZ       LYS  44   9.942 -13.723  -3.638
  352   3HZ   LYS  44          3HZ       LYS  44   8.958 -13.199  -2.365
  353    H    MET  45           H        MET  45   6.729  -9.163  -0.133
  354    HA   MET  45           HA       MET  45   5.553  -6.699   0.848
  355   1HB   MET  45          1HB       MET  45   6.033  -9.427   1.984
  356   2HB   MET  45          1HB       MET  45   5.589  -8.088   3.032
  357   1HG   MET  45          1HG       MET  45   3.480  -8.198   2.447
  358   2HG   MET  45          1HG       MET  45   3.862  -8.282   0.728
  359   1HE   MET  45          1HE       MET  45   2.990 -11.480   3.741
  360   2HE   MET  45          2HE       MET  45   1.689 -10.499   3.071
  361   3HE   MET  45          3HE       MET  45   3.042  -9.724   3.885
  362    H    TYR  46           H        TYR  46   6.573  -5.191   2.130
  363    HA   TYR  46           HA       TYR  46   9.386  -5.660   2.793
  364   1HB   TYR  46          1HB       TYR  46   7.826  -3.084   2.619
  365   2HB   TYR  46          1HB       TYR  46   9.526  -3.212   3.044
  366    HD1  TYR  46          1HD       TYR  46  11.131  -3.127   1.370
  367    HD2  TYR  46          2HD       TYR  46   7.155  -4.020   0.337
  368    HE1  TYR  46          1HE       TYR  46  11.754  -3.023  -1.000
  369    HE2  TYR  46          2HE       TYR  46   7.733  -3.911  -2.023
  370    HH   TYR  46           HH       TYR  46   9.408  -2.971  -3.490
  371    H    LYS  47           H        LYS  47   6.374  -4.368   4.120
  372    HA   LYS  47           HA       LYS  47   7.312  -5.142   6.797
  373   1HB   LYS  47          1HB       LYS  47   7.007  -2.550   6.101
  374   2HB   LYS  47          1HB       LYS  47   5.366  -2.918   6.622
  375   1HG   LYS  47          1HG       LYS  47   7.567  -3.791   8.396
  376   2HG   LYS  47          1HG       LYS  47   7.253  -2.060   8.294
  377   1HD   LYS  47          1HD       LYS  47   4.733  -3.152   8.570
  378   2HD   LYS  47          1HD       LYS  47   5.736  -4.157   9.619
  379   1HE   LYS  47          1HE       LYS  47   6.687  -1.932  10.489
  380   2HE   LYS  47          1HE       LYS  47   5.287  -1.196   9.723
  381   1HZ   LYS  47          1HZ       LYS  47   4.473  -3.400  11.292
  382   2HZ   LYS  47          2HZ       LYS  47   4.047  -1.771  11.449
  383   3HZ   LYS  47          3HZ       LYS  47   5.421  -2.359  12.232
  384    H    GLY  48           H        GLY  48   6.047  -6.600   7.677
  385   1HA   GLY  48          2HA       GLY  48   3.470  -6.785   8.250
  386   2HA   GLY  48          1HA       GLY  48   3.440  -7.201   6.539
  387    H    PHE  49           H        PHE  49   6.373  -8.238   7.499
  388    HA   PHE  49           HA       PHE  49   6.092 -10.876   7.180
  389   1HB   PHE  49          1HB       PHE  49   7.981  -9.259   8.828
  390   2HB   PHE  49          1HB       PHE  49   8.073 -11.012   8.912
  391    HD1  PHE  49          1HD       PHE  49  10.031 -11.563   7.848
  392    HD2  PHE  49          2HD       PHE  49   7.376  -8.810   5.982
  393    HE1  PHE  49          1HE       PHE  49  11.429 -11.591   5.827
  394    HE2  PHE  49          2HE       PHE  49   8.770  -8.834   3.955
  395    HZ   PHE  49           HZ       PHE  49  10.799 -10.227   3.875
  396    H    GLN  50           H        GLN  50   5.963  -9.324  10.428
  397    HA   GLN  50           HA       GLN  50   5.391 -11.683  11.823
  398   1HB   GLN  50          1HB       GLN  50   4.440 -10.223  13.586
  399   2HB   GLN  50          1HB       GLN  50   6.018  -9.686  13.028
  400   1HG   GLN  50          1HG       GLN  50   5.029  -7.927  11.738
  401   2HG   GLN  50          1HG       GLN  50   3.407  -8.529  12.085
  402   1HE2  GLN  50          1HE2      GLN  50   5.860  -6.448  13.040
  403   2HE2  GLN  50          2HE2      GLN  50   5.227  -5.993  14.582
  404    H    ALA  51           H        ALA  51   3.439  -9.752   9.752
  405    HA   ALA  51           HA       ALA  51   0.931 -11.006  10.573
  406   1HB   ALA  51          1HB       ALA  51  -0.136  -9.481   8.970
  407   2HB   ALA  51          2HB       ALA  51   1.451  -8.876   8.497
  408   3HB   ALA  51          3HB       ALA  51   0.857  -8.605  10.136
  409    H    LEU  52           H        LEU  52   3.470 -11.626   8.479
  410    HA   LEU  52           HA       LEU  52   2.400 -12.549   6.134
  411   1HB   LEU  52          1HB       LEU  52   4.899 -12.919   7.598
  412   2HB   LEU  52          1HB       LEU  52   4.465 -14.317   6.647
  413    HG   LEU  52           HG       LEU  52   4.523 -11.573   5.434
  414   1HD1  LEU  52          1HD1      LEU  52   6.734 -12.656   6.613
  415   2HD1  LEU  52          2HD1      LEU  52   6.757 -11.538   5.250
  416   3HD1  LEU  52          3HD1      LEU  52   6.859 -13.275   4.967
  417   1HD2  LEU  52          1HD2      LEU  52   4.847 -12.825   3.380
  418   2HD2  LEU  52          2HD2      LEU  52   3.399 -13.383   4.217
  419   3HD2  LEU  52          3HD2      LEU  52   4.880 -14.338   4.287
  420    H    GLY  53           H        GLY  53   0.474 -13.279   7.040
  421   1HA   GLY  53          2HA       GLY  53  -0.013 -15.464   8.634
  422   2HA   GLY  53          1HA       GLY  53  -1.039 -14.987   7.292
  423    H    ASP  54           H        ASP  54  -0.034 -15.601   5.101
  424    HA   ASP  54           HA       ASP  54   0.927 -18.357   5.295
  425   1HB   ASP  54          1HB       ASP  54  -1.443 -17.888   4.295
  426   2HB   ASP  54          1HB       ASP  54  -0.535 -17.359   2.882
  427    H    ALA  55           H        ALA  55   0.653 -16.004   2.740
  428    HA   ALA  55           HA       ALA  55   3.524 -15.678   2.573
  429   1HB   ALA  55          1HB       ALA  55   3.866 -17.019   0.861
  430   2HB   ALA  55          2HB       ALA  55   2.633 -16.170  -0.076
  431   3HB   ALA  55          3HB       ALA  55   2.183 -17.536   0.948
  432    H    ALA  56           H        ALA  56   0.360 -15.057   1.273
  433    HA   ALA  56           HA       ALA  56   1.166 -12.295   0.597
  434   1HB   ALA  56          1HB       ALA  56  -0.302 -14.285  -0.950
  435   2HB   ALA  56          2HB       ALA  56   0.564 -12.840  -1.476
  436   3HB   ALA  56          3HB       ALA  56  -1.086 -12.706  -0.876
  437    H    ASP  57           H        ASP  57   0.677 -11.666   2.711
  438    HA   ASP  57           HA       ASP  57  -2.028 -11.892   3.682
  439   1HB   ASP  57          1HB       ASP  57   0.318 -11.713   4.979
  440   2HB   ASP  57          1HB       ASP  57  -0.130 -10.009   4.966
  441    H    ILE  58           H        ILE  58  -0.839  -9.999   1.284
  442    HA   ILE  58           HA       ILE  58  -2.789  -7.880   1.900
  443    HB   ILE  58           HB       ILE  58  -0.132  -7.177   0.699
  444   1HG1  ILE  58          1HG1      ILE  58  -0.304  -6.379   3.465
  445   2HG1  ILE  58          1HG1      ILE  58  -0.383  -8.126   3.321
  446   1HG2  ILE  58          1HG2      ILE  58  -0.760  -5.024   0.879
  447   2HG2  ILE  58          2HG2      ILE  58  -1.665  -5.289   2.369
  448   3HG2  ILE  58          3HG2      ILE  58  -2.369  -5.745   0.817
  449   1HD1  ILE  58          1HD1      ILE  58   1.786  -6.277   2.486
  450   2HD1  ILE  58          2HD1      ILE  58   1.662  -7.902   1.814
  451   3HD1  ILE  58          3HD1      ILE  58   1.870  -7.676   3.551
  452    H    ARG  59           H        ARG  59  -3.964  -9.223   0.161
  453    HA   ARG  59           HA       ARG  59  -2.813  -8.731  -2.467
  454   1HB   ARG  59          1HB       ARG  59  -5.064 -10.578  -1.687
  455   2HB   ARG  59          1HB       ARG  59  -4.209 -10.539  -3.221
  456   1HG   ARG  59          1HG       ARG  59  -2.187 -10.917  -1.404
  457   2HG   ARG  59          1HG       ARG  59  -3.517 -11.860  -0.725
  458   1HD   ARG  59          1HD       ARG  59  -2.860 -12.061  -3.630
  459   2HD   ARG  59          1HD       ARG  59  -1.902 -12.950  -2.454
  460    HE   ARG  59           HE       ARG  59  -4.607 -13.503  -3.277
  461   1HH1  ARG  59          1HH1      ARG  59  -2.265 -13.951  -0.743
  462   2HH1  ARG  59          2HH1      ARG  59  -2.963 -15.425  -0.179
  463   1HH2  ARG  59          1HH2      ARG  59  -5.530 -15.444  -2.543
  464   2HH2  ARG  59          2HH2      ARG  59  -4.818 -16.276  -1.202
  465    H    PHE  60           H        PHE  60  -5.212  -7.477  -0.488
  466    HA   PHE  60           HA       PHE  60  -6.382  -5.940  -2.630
  467   1HB   PHE  60          1HB       PHE  60  -7.921  -7.520  -0.554
  468   2HB   PHE  60          1HB       PHE  60  -8.633  -6.321  -1.625
  469    HD1  PHE  60          1HD       PHE  60  -6.841  -9.581  -1.614
  470    HD2  PHE  60          2HD       PHE  60  -9.435  -6.941  -3.722
  471    HE1  PHE  60          1HE       PHE  60  -7.284 -11.345  -3.275
  472    HE2  PHE  60          2HE       PHE  60  -9.880  -8.703  -5.383
  473    HZ   PHE  60           HZ       PHE  60  -8.807 -10.907  -5.157
  474    H    VAL  61           H        VAL  61  -7.037  -4.024  -2.028
  475    HA   VAL  61           HA       VAL  61  -6.078  -3.141   0.600
  476    HB   VAL  61           HB       VAL  61  -5.285  -1.260  -0.391
  477   1HG1  VAL  61          1HG1      VAL  61  -4.988  -2.619  -2.939
  478   2HG1  VAL  61          2HG1      VAL  61  -4.531  -3.565  -1.522
  479   3HG1  VAL  61          3HG1      VAL  61  -3.768  -2.005  -1.824
  480   1HG2  VAL  61          1HG2      VAL  61  -6.727  -0.017  -1.533
  481   2HG2  VAL  61          2HG2      VAL  61  -7.580  -1.433  -2.133
  482   3HG2  VAL  61          3HG2      VAL  61  -6.123  -0.877  -2.949
  483    H    TYR  62           H        TYR  62  -7.523  -2.485   2.004
  484    HA   TYR  62           HA       TYR  62 -10.184  -1.795   1.103
  485   1HB   TYR  62          1HB       TYR  62  -9.217  -2.399   3.898
  486   2HB   TYR  62          1HB       TYR  62 -10.887  -2.154   3.418
  487    HD1  TYR  62          1HD       TYR  62 -12.015  -4.117   3.659
  488    HD2  TYR  62          2HD       TYR  62  -8.135  -4.233   1.900
  489    HE1  TYR  62          1HE       TYR  62 -12.268  -6.520   3.250
  490    HE2  TYR  62          2HE       TYR  62  -8.384  -6.627   1.492
  491    HH   TYR  62           HH       TYR  62  -9.764  -8.388   1.570
  492    H    THR  63           H        THR  63 -10.386   0.230   0.651
  493    HA   THR  63           HA       THR  63  -9.430   2.338   2.484
  494    HB   THR  63           HB       THR  63  -8.725   3.290   0.534
  495    HG1  THR  63          1HG       THR  63 -10.870   4.322   0.960
  496   1HG2  THR  63          1HG2      THR  63  -8.990   2.451  -1.566
  497   2HG2  THR  63          2HG2      THR  63 -10.677   2.007  -1.294
  498   3HG2  THR  63          3HG2      THR  63  -9.378   1.004  -0.637
  499    HA   PRO  64           HA       PRO  64 -13.633   3.145   3.730
  500   1HB   PRO  64          1HB       PRO  64 -12.950   6.020   3.752
  501   2HB   PRO  64          1HB       PRO  64 -13.464   4.981   5.083
  502   1HG   PRO  64          1HG       PRO  64 -10.941   5.884   4.879
  503   2HG   PRO  64          1HG       PRO  64 -11.314   4.281   5.539
  504   1HD   PRO  64          1HD       PRO  64 -10.287   5.027   2.833
  505   2HD   PRO  64          1HD       PRO  64  -9.853   3.648   3.862
  506    H    ALA  65           H        ALA  65 -15.451   3.565   2.618
  507    HA   ALA  65           HA       ALA  65 -15.317   4.691   0.001
  508   1HB   ALA  65          1HB       ALA  65 -17.097   2.770   1.369
  509   2HB   ALA  65          2HB       ALA  65 -16.350   2.677  -0.219
  510   3HB   ALA  65          3HB       ALA  65 -17.760   3.697   0.024
  511    H    MET  66           H        MET  66 -15.701   6.154   2.771
  512    HA   MET  66           HA       MET  66 -18.285   7.338   2.523
  513   1HB   MET  66          1HB       MET  66 -17.308   9.035   4.194
  514   2HB   MET  66          1HB       MET  66 -17.505   7.372   4.713
  515   1HG   MET  66          1HG       MET  66 -15.338   7.125   5.092
  516   2HG   MET  66          1HG       MET  66 -14.905   7.839   3.541
  517   1HE   MET  66          1HE       MET  66 -13.198   8.158   6.236
  518   2HE   MET  66          2HE       MET  66 -14.639   8.167   7.253
  519   3HE   MET  66          3HE       MET  66 -13.571   9.571   7.224
  520    H    GLU  67           H        GLU  67 -18.469   9.808   2.483
  521    HA   GLU  67           HA       GLU  67 -17.492  10.663  -0.065
  522   1HB   GLU  67          1HB       GLU  67 -19.421  11.617   1.946
  523   2HB   GLU  67          1HB       GLU  67 -18.648  12.885   1.005
  524   1HG   GLU  67          1HG       GLU  67 -19.312  11.448  -1.036
  525   2HG   GLU  67          1HG       GLU  67 -20.428  10.670   0.086
  526    H    SER  68           H        SER  68 -16.044  12.249  -0.567
  527    HA   SER  68           HA       SER  68 -14.157  13.503  -0.381
  528   1HB   SER  68          1HB       SER  68 -14.230  15.301   1.171
  529   2HB   SER  68          1HB       SER  68 -15.906  14.955   0.745
  530    HG   SER  68           HG       SER  68 -14.598  14.674   3.154
  531    H    VAL  69           H        VAL  69 -14.044  10.803   0.709
  532    HA   VAL  69           HA       VAL  69 -12.243  11.049   2.994
  533    HB   VAL  69           HB       VAL  69 -13.976   9.286   2.959
  534   1HG1  VAL  69          1HG1      VAL  69 -13.578   7.290   1.543
  535   2HG1  VAL  69          2HG1      VAL  69 -12.367   8.215   0.660
  536   3HG1  VAL  69          3HG1      VAL  69 -14.050   8.728   0.645
  537   1HG2  VAL  69          1HG2      VAL  69 -11.531   9.139   4.006
  538   2HG2  VAL  69          2HG2      VAL  69 -11.442   7.758   2.911
  539   3HG2  VAL  69          3HG2      VAL  69 -12.704   7.831   4.142
  540    H    CYS  70           H        CYS  70 -10.164   9.847   2.957
  541    HA   CYS  70           HA       CYS  70  -8.820  10.277   0.394
  542   1HB   CYS  70          1HB       CYS  70  -6.949   9.418   2.372
  543   2HB   CYS  70          1HB       CYS  70  -7.084  11.000   1.622
  544    H    GLY  71           H        GLY  71 -10.538   8.079   0.584
  545   1HA   GLY  71          2HA       GLY  71  -9.643   5.651   1.245
  546   2HA   GLY  71          1HA       GLY  71 -10.518   5.958  -0.245
  547    H    TYR  72           H        TYR  72  -9.428   5.883  -2.183
  548    HA   TYR  72           HA       TYR  72  -6.596   5.958  -2.334
  549   1HB   TYR  72          1HB       TYR  72  -7.081   3.719  -1.262
  550   2HB   TYR  72          1HB       TYR  72  -7.751   3.239  -2.818
  551    HD1  TYR  72          1HD       TYR  72  -6.315   2.847  -4.720
  552    HD2  TYR  72          2HD       TYR  72  -4.699   4.136  -1.010
  553    HE1  TYR  72          1HE       TYR  72  -4.060   2.251  -5.501
  554    HE2  TYR  72          2HE       TYR  72  -2.448   3.535  -1.767
  555    HH   TYR  72           HH       TYR  72  -1.781   2.683  -5.055
  556    H    PHE  73           H        PHE  73  -7.295   7.485  -4.015
  557    HA   PHE  73           HA       PHE  73  -8.672   6.570  -6.277
  558   1HB   PHE  73          1HB       PHE  73  -7.088   8.950  -5.561
  559   2HB   PHE  73          1HB       PHE  73  -7.126   8.580  -7.280
  560    HD1  PHE  73          1HD       PHE  73  -9.472   8.880  -4.384
  561    HD2  PHE  73          2HD       PHE  73  -8.792   9.493  -8.540
  562    HE1  PHE  73          1HE       PHE  73 -11.671   9.968  -4.583
  563    HE2  PHE  73          2HE       PHE  73 -10.985  10.580  -8.748
  564    HZ   PHE  73           HZ       PHE  73 -12.431  10.818  -6.767
  565    H    HIS  74           H        HIS  74  -7.999   4.795  -7.148
  566    HA   HIS  74           HA       HIS  74  -5.188   4.489  -7.865
  567   1HB   HIS  74          1HB       HIS  74  -5.842   2.565  -6.798
  568   2HB   HIS  74          1HB       HIS  74  -7.472   2.614  -7.445
  569    HD1  HIS  74          1HD       HIS  74  -7.807   0.655  -8.952
  570    HD2  HIS  74          2HD       HIS  74  -3.934   2.123  -9.194
  571    HE1  HIS  74          1HE       HIS  74  -6.640  -0.817 -10.617
  572    HE2  HIS  74          2HE       HIS  74  -4.330   0.162 -10.833
  573    H    ARG  75           H        ARG  75  -4.737   5.513  -9.651
  574    HA   ARG  75           HA       ARG  75  -6.464   5.107 -12.001
  575   1HB   ARG  75          1HB       ARG  75  -5.174   7.460 -10.858
  576   2HB   ARG  75          1HB       ARG  75  -4.827   7.266 -12.569
  577   1HG   ARG  75          1HG       ARG  75  -7.303   7.062 -12.936
  578   2HG   ARG  75          1HG       ARG  75  -7.509   7.551 -11.251
  579   1HD   ARG  75          1HD       ARG  75  -6.742   9.677 -11.632
  580   2HD   ARG  75          1HD       ARG  75  -5.757   9.185 -13.007
  581    HE   ARG  75           HE       ARG  75  -7.662   9.280 -14.384
  582   1HH1  ARG  75          1HH1      ARG  75  -8.371  10.229 -11.093
  583   2HH1  ARG  75          2HH1      ARG  75  -9.861  11.003 -11.512
  584   1HH2  ARG  75          1HH2      ARG  75  -9.619  10.297 -14.924
  585   2HH2  ARG  75          2HH2      ARG  75 -10.570  11.041 -13.682
  586    H    SER  76           H        SER  76  -5.238   3.072 -12.307
  587    HA   SER  76           HA       SER  76  -3.093   3.515 -14.153
  588   1HB   SER  76          1HB       SER  76  -2.538   2.422 -11.421
  589   2HB   SER  76          1HB       SER  76  -1.654   1.748 -12.790
  590    HG   SER  76           HG       SER  76  -1.523   4.282 -11.655
  591    H    HIS  77           H        HIS  77  -4.199   2.418 -15.701
  592    HA   HIS  77           HA       HIS  77  -5.534  -0.054 -15.224
  593   1HB   HIS  77          1HB       HIS  77  -4.988   1.676 -17.578
  594   2HB   HIS  77          1HB       HIS  77  -5.353  -0.016 -17.900
  595    HD1  HIS  77          1HD       HIS  77  -7.074   2.906 -18.101
  596    HD2  HIS  77          2HD       HIS  77  -7.807  -0.542 -15.900
  597    HE1  HIS  77          1HE       HIS  77  -9.538   2.941 -17.598
  598    HE2  HIS  77          2HE       HIS  77  -9.937   0.900 -16.175
  599    H    ASN  78           H        ASN  78  -2.294   0.696 -15.600
  600    HA   ASN  78           HA       ASN  78  -1.505  -1.667 -17.041
  601   1HB   ASN  78          1HB       ASN  78  -0.261   0.668 -16.714
  602   2HB   ASN  78          1HB       ASN  78   0.499  -0.218 -15.393
  603   1HD2  ASN  78          1HD2      ASN  78   2.483  -0.047 -16.552
  604   2HD2  ASN  78          2HD2      ASN  78   2.821  -1.115 -17.865
  605    H    ARG  79           H        ARG  79  -1.590  -3.603 -16.224
  606    HA   ARG  79           HA       ARG  79  -1.520  -4.056 -13.367
  607   1HB   ARG  79          1HB       ARG  79  -2.344  -6.203 -13.826
  608   2HB   ARG  79          1HB       ARG  79  -3.115  -5.174 -15.014
  609   1HG   ARG  79          1HG       ARG  79  -0.614  -6.680 -15.666
  610   2HG   ARG  79          1HG       ARG  79  -2.200  -7.447 -15.744
  611   1HD   ARG  79          1HD       ARG  79  -2.956  -5.723 -17.301
  612   2HD   ARG  79          1HD       ARG  79  -1.369  -4.963 -17.231
  613    HE   ARG  79           HE       ARG  79  -0.558  -7.213 -18.110
  614   1HH1  ARG  79          1HH1      ARG  79  -3.672  -5.831 -18.899
  615   2HH1  ARG  79          2HH1      ARG  79  -3.763  -6.615 -20.438
  616   1HH2  ARG  79          1HH2      ARG  79  -0.685  -8.242 -20.128
  617   2HH2  ARG  79          2HH2      ARG  79  -2.068  -7.983 -21.137
  618    H    SER  80           H        SER  80   0.855  -3.622 -15.569
  619    HA   SER  80           HA       SER  80   2.640  -5.630 -14.354
  620   1HB   SER  80          1HB       SER  80   4.101  -5.183 -16.361
  621   2HB   SER  80          1HB       SER  80   2.546  -5.925 -16.740
  622    HG   SER  80           HG       SER  80   1.781  -3.848 -17.313
  623    H    GLU  81           H        GLU  81   1.815  -2.386 -14.132
  624    HA   GLU  81           HA       GLU  81   4.553  -1.457 -13.705
  625   1HB   GLU  81          1HB       GLU  81   2.597  -0.036 -14.666
  626   2HB   GLU  81          1HB       GLU  81   2.112   0.140 -12.985
  627   1HG   GLU  81          1HG       GLU  81   3.409   2.004 -13.275
  628   2HG   GLU  81          1HG       GLU  81   4.589   0.862 -12.635
  629    H    GLU  82           H        GLU  82   5.563  -1.748 -11.839
  630    HA   GLU  82           HA       GLU  82   4.371  -2.841  -9.528
  631   1HB   GLU  82          1HB       GLU  82   6.875  -2.814 -10.530
  632   2HB   GLU  82          1HB       GLU  82   7.025  -1.547  -9.319
  633   1HG   GLU  82          1HG       GLU  82   6.831  -2.983  -7.588
  634   2HG   GLU  82          1HG       GLU  82   5.724  -4.045  -8.447
  635    H    PHE  83           H        PHE  83   4.906  -1.770  -7.289
  636    HA   PHE  83           HA       PHE  83   4.801   1.070  -7.262
  637   1HB   PHE  83          1HB       PHE  83   2.287  -0.455  -6.984
  638   2HB   PHE  83          1HB       PHE  83   2.553   0.807  -5.790
  639    HD1  PHE  83          1HD       PHE  83   1.359   0.099  -9.057
  640    HD2  PHE  83          2HD       PHE  83   3.214   3.117  -6.706
  641    HE1  PHE  83          1HE       PHE  83   0.617   1.807 -10.662
  642    HE2  PHE  83          2HE       PHE  83   2.472   4.827  -8.302
  643    HZ   PHE  83           HZ       PHE  83   1.175   4.175 -10.287
  644    H    LEU  84           H        LEU  84   4.209   1.808  -5.043
  645    HA   LEU  84           HA       LEU  84   5.521   0.107  -2.993
  646   1HB   LEU  84          1HB       LEU  84   6.963   2.021  -3.723
  647   2HB   LEU  84          1HB       LEU  84   5.738   3.123  -3.134
  648    HG   LEU  84           HG       LEU  84   7.776   2.682  -1.655
  649   1HD1  LEU  84          1HD1      LEU  84   5.428   3.664  -1.079
  650   2HD1  LEU  84          2HD1      LEU  84   6.569   3.259   0.203
  651   3HD1  LEU  84          3HD1      LEU  84   5.244   2.160  -0.177
  652   1HD2  LEU  84          1HD2      LEU  84   7.749   0.760  -0.245
  653   2HD2  LEU  84          2HD2      LEU  84   7.673   0.195  -1.913
  654   3HD2  LEU  84          3HD2      LEU  84   6.216   0.210  -0.922
  655    H    ILE  85           H        ILE  85   4.309  -0.258  -1.217
  656    HA   ILE  85           HA       ILE  85   2.026   1.565  -0.788
  657    HB   ILE  85           HB       ILE  85   1.969  -1.465  -0.815
  658   1HG1  ILE  85          1HG1      ILE  85   0.361   0.451  -2.506
  659   2HG1  ILE  85          1HG1      ILE  85   1.975  -0.064  -2.980
  660   1HG2  ILE  85          1HG2      ILE  85   0.497  -0.702   0.952
  661   2HG2  ILE  85          2HG2      ILE  85  -0.483  -1.200  -0.427
  662   3HG2  ILE  85          3HG2      ILE  85  -0.218   0.515  -0.107
  663   1HD1  ILE  85          1HD1      ILE  85   0.595  -1.515  -4.122
  664   2HD1  ILE  85          2HD1      ILE  85  -0.532  -1.670  -2.773
  665   3HD1  ILE  85          3HD1      ILE  85   1.048  -2.448  -2.697
  666    H    ALA  86           H        ALA  86   2.237   2.462   1.048
  667    HA   ALA  86           HA       ALA  86   3.179   1.027   3.487
  668   1HB   ALA  86          1HB       ALA  86   2.962   3.969   2.898
  669   2HB   ALA  86          2HB       ALA  86   4.355   3.062   3.480
  670   3HB   ALA  86          3HB       ALA  86   2.993   3.378   4.555
  671    H    GLY  87           H        GLY  87   1.578   0.156   4.628
  672   1HA   GLY  87          2HA       GLY  87  -0.798   1.551   5.392
  673   2HA   GLY  87          1HA       GLY  87  -1.147   0.309   4.202
  674    H    LYS  88           H        LYS  88  -1.760   0.666   7.190
  675    HA   LYS  88           HA       LYS  88  -0.480  -1.541   8.527
  676   1HB   LYS  88          1HB       LYS  88  -2.961  -0.028   9.344
  677   2HB   LYS  88          1HB       LYS  88  -1.976  -1.034  10.379
  678   1HG   LYS  88          1HG       LYS  88  -0.126   0.708   9.647
  679   2HG   LYS  88          1HG       LYS  88  -1.531   1.736   9.424
  680   1HD   LYS  88          1HD       LYS  88  -1.140   0.165  11.944
  681   2HD   LYS  88          1HD       LYS  88  -0.344   1.722  11.717
  682   1HE   LYS  88          1HE       LYS  88  -3.239   1.587  11.127
  683   2HE   LYS  88          1HE       LYS  88  -2.761   1.456  12.818
  684   1HZ   LYS  88          1HZ       LYS  88  -3.174   3.768  11.606
  685   2HZ   LYS  88          2HZ       LYS  88  -1.522   3.599  11.288
  686   3HZ   LYS  88          3HZ       LYS  88  -2.082   3.590  12.885
  687    H    LEU  89           H        LEU  89  -2.162  -3.222   9.667
  688    HA   LEU  89           HA       LEU  89  -4.085  -4.008   7.582
  689   1HB   LEU  89          1HB       LEU  89  -2.022  -5.644   8.913
  690   2HB   LEU  89          1HB       LEU  89  -3.592  -6.398   8.740
  691    HG   LEU  89           HG       LEU  89  -1.803  -5.393   6.520
  692   1HD1  LEU  89          1HD1      LEU  89  -1.200  -7.594   7.356
  693   2HD1  LEU  89          2HD1      LEU  89  -1.948  -7.741   5.771
  694   3HD1  LEU  89          3HD1      LEU  89  -2.871  -8.129   7.221
  695   1HD2  LEU  89          1HD2      LEU  89  -4.577  -5.344   6.532
  696   2HD2  LEU  89          2HD2      LEU  89  -4.159  -6.813   5.661
  697   3HD2  LEU  89          3HD2      LEU  89  -3.522  -5.259   5.127
  698    H    GLN  90           H        GLN  90  -6.030  -4.150   8.148
  699    HA   GLN  90           HA       GLN  90  -6.777  -4.265  11.000
  700   1HB   GLN  90          1HB       GLN  90  -8.014  -2.997   8.674
  701   2HB   GLN  90          1HB       GLN  90  -9.145  -3.729   9.802
  702   1HG   GLN  90          1HG       GLN  90  -7.011  -1.738  10.542
  703   2HG   GLN  90          1HG       GLN  90  -8.704  -1.345  10.250
  704   1HE2  GLN  90          1HE2      GLN  90  -6.508  -3.126  12.348
  705   2HE2  GLN  90          2HE2      GLN  90  -7.557  -3.166  13.719
  706    H    ASP  91           H        ASP  91  -7.449  -6.101  11.861
  707    HA   ASP  91           HA       ASP  91  -7.938  -8.348  11.951
  708   1HB   ASP  91          1HB       ASP  91 -10.244  -6.947  10.659
  709   2HB   ASP  91          1HB       ASP  91 -10.327  -8.669  11.011
  710    H    GLY  92           H        GLY  92  -6.400  -7.723   9.436
  711   1HA   GLY  92          2HA       GLY  92  -5.725  -9.715   8.125
  712   2HA   GLY  92          1HA       GLY  92  -7.436 -10.030   7.895
  713    H    LEU  93           H        LEU  93  -7.537  -6.949   7.666
  714    HA   LEU  93           HA       LEU  93  -7.160  -6.944   4.749
  715   1HB   LEU  93          1HB       LEU  93  -9.130  -5.350   6.361
  716   2HB   LEU  93          1HB       LEU  93  -9.047  -5.451   4.615
  717    HG   LEU  93           HG       LEU  93 -10.783  -6.857   5.012
  718   1HD1  LEU  93          1HD1      LEU  93  -9.837  -8.535   3.916
  719   2HD1  LEU  93          2HD1      LEU  93  -9.595  -9.283   5.487
  720   3HD1  LEU  93          3HD1      LEU  93  -8.303  -8.345   4.750
  721   1HD2  LEU  93          1HD2      LEU  93  -9.921  -8.412   7.295
  722   2HD2  LEU  93          2HD2      LEU  93 -11.422  -7.529   7.020
  723   3HD2  LEU  93          3HD2      LEU  93 -10.005  -6.685   7.641
  724    H    LEU  94           H        LEU  94  -6.095  -5.436   3.759
  725    HA   LEU  94           HA       LEU  94  -4.551  -3.564   5.248
  726   1HB   LEU  94          1HB       LEU  94  -3.741  -4.654   3.183
  727   2HB   LEU  94          1HB       LEU  94  -4.941  -3.761   2.266
  728    HG   LEU  94           HG       LEU  94  -3.867  -1.651   2.962
  729   1HD1  LEU  94          1HD1      LEU  94  -2.390  -3.450   4.687
  730   2HD1  LEU  94          2HD1      LEU  94  -2.594  -1.701   4.779
  731   3HD1  LEU  94          3HD1      LEU  94  -1.336  -2.388   3.752
  732   1HD2  LEU  94          1HD2      LEU  94  -1.606  -2.246   1.736
  733   2HD2  LEU  94          2HD2      LEU  94  -3.141  -2.200   0.873
  734   3HD2  LEU  94          3HD2      LEU  94  -2.475  -3.737   1.393
  735    H    HIS  95           H        HIS  95  -4.546  -1.299   4.952
  736    HA   HIS  95           HA       HIS  95  -7.047  -0.156   3.963
  737   1HB   HIS  95          1HB       HIS  95  -5.911   0.450   6.699
  738   2HB   HIS  95          1HB       HIS  95  -7.132   1.433   5.897
  739    HD1  HIS  95          1HD       HIS  95  -9.186   1.001   7.207
  740    HD2  HIS  95          2HD       HIS  95  -7.189  -2.505   6.246
  741    HE1  HIS  95          1HE       HIS  95 -10.702  -0.864   7.946
  742    HE2  HIS  95          2HE       HIS  95  -9.458  -2.976   7.380
  743    H    ILE  96           H        ILE  96  -6.810   1.702   2.877
  744    HA   ILE  96           HA       ILE  96  -4.150   2.961   2.986
  745    HB   ILE  96           HB       ILE  96  -5.080   3.112   0.298
  746   1HG1  ILE  96          1HG1      ILE  96  -6.254   0.978   0.860
  747   2HG1  ILE  96          1HG1      ILE  96  -5.039   0.819  -0.404
  748   1HG2  ILE  96          1HG2      ILE  96  -2.668   2.048   1.709
  749   2HG2  ILE  96          2HG2      ILE  96  -2.827   3.468   0.671
  750   3HG2  ILE  96          3HG2      ILE  96  -2.858   1.853  -0.035
  751   1HD1  ILE  96          1HD1      ILE  96  -5.183  -0.415   2.225
  752   2HD1  ILE  96          2HD1      ILE  96  -3.599   0.258   1.837
  753   3HD1  ILE  96          3HD1      ILE  96  -4.340  -0.928   0.772
  754    H    THR  97           H        THR  97  -3.995   5.070   2.451
  755    HA   THR  97           HA       THR  97  -6.405   6.535   1.805
  756    HB   THR  97           HB       THR  97  -5.789   8.234   3.583
  757    HG1  THR  97          1HG       THR  97  -3.734   7.630   4.122
  758   1HG2  THR  97          1HG2      THR  97  -7.625   6.575   3.880
  759   2HG2  THR  97          2HG2      THR  97  -6.882   7.134   5.379
  760   3HG2  THR  97          3HG2      THR  97  -6.476   5.545   4.731
  761    H    THR  98           H        THR  98  -6.009   8.418   0.673
  762    HA   THR  98           HA       THR  98  -3.560   8.534  -0.759
  763    HB   THR  98           HB       THR  98  -4.520  10.366  -1.943
  764    HG1  THR  98          1HG       THR  98  -5.209  11.582  -0.156
  765   1HG2  THR  98          1HG2      THR  98  -7.065   9.046  -1.294
  766   2HG2  THR  98          2HG2      THR  98  -5.751   7.995  -1.825
  767   3HG2  THR  98          3HG2      THR  98  -6.287   9.325  -2.854
  768    H    CYS  99           H        CYS  99  -4.007   9.255   2.287
  769    HA   CYS  99           HA       CYS  99  -2.126  11.513   2.293
  770   1HB   CYS  99          1HB       CYS  99  -4.569  11.555   3.426
  771   2HB   CYS  99          1HB       CYS  99  -3.631  10.898   4.755
  772    H    SER 100           H        SER 100  -1.799   8.591   2.041
  773    HA   SER 100           HA       SER 100   0.026   8.126   4.297
  774   1HB   SER 100          1HB       SER 100  -2.187   6.554   3.534
  775   2HB   SER 100          1HB       SER 100  -0.770   5.682   2.951
  776    HG   SER 100           HG       SER 100  -0.241   5.241   4.936
  777    H    PHE 101           H        PHE 101   1.967   6.829   3.659
  778    HA   PHE 101           HA       PHE 101   3.054   7.842   1.266
  779   1HB   PHE 101          1HB       PHE 101   4.348   7.131   3.317
  780   2HB   PHE 101          1HB       PHE 101   4.179   5.476   2.738
  781    HD1  PHE 101          1HD       PHE 101   4.868   5.197   0.172
  782    HD2  PHE 101          2HD       PHE 101   6.264   8.253   2.774
  783    HE1  PHE 101          1HE       PHE 101   6.834   5.527  -1.269
  784    HE2  PHE 101          2HE       PHE 101   8.225   8.593   1.335
  785    HZ   PHE 101           HZ       PHE 101   8.514   7.230  -0.689
  786    H    VAL 102           H        VAL 102   2.202   7.235  -0.694
  787    HA   VAL 102           HA       VAL 102   2.345   4.399  -1.365
  788    HB   VAL 102           HB       VAL 102  -0.193   5.906  -1.957
  789   1HG1  VAL 102          1HG1      VAL 102  -0.627   3.151  -1.887
  790   2HG1  VAL 102          2HG1      VAL 102   0.909   3.356  -2.726
  791   3HG1  VAL 102          3HG1      VAL 102  -0.534   4.180  -3.315
  792   1HG2  VAL 102          1HG2      VAL 102   0.070   5.673   0.480
  793   2HG2  VAL 102          2HG2      VAL 102   0.270   3.932   0.278
  794   3HG2  VAL 102          3HG2      VAL 102  -1.261   4.699  -0.144
  795    H    ALA 103           H        ALA 103   3.790   4.582  -2.992
  796    HA   ALA 103           HA       ALA 103   2.872   5.816  -5.452
  797   1HB   ALA 103          1HB       ALA 103   3.903   7.758  -5.238
  798   2HB   ALA 103          2HB       ALA 103   5.446   6.904  -5.249
  799   3HB   ALA 103          3HB       ALA 103   4.642   7.253  -3.719
  800    HA   PRO 104           HA       PRO 104   5.302   2.945  -7.783
  801   1HB   PRO 104          1HB       PRO 104   7.013   5.154  -8.797
  802   2HB   PRO 104          1HB       PRO 104   6.158   3.897  -9.695
  803   1HG   PRO 104          1HG       PRO 104   5.196   6.368  -9.637
  804   2HG   PRO 104          1HG       PRO 104   4.082   5.000  -9.446
  805   1HD   PRO 104          1HD       PRO 104   5.207   6.840  -7.356
  806   2HD   PRO 104          1HD       PRO 104   3.560   6.196  -7.508
  807    H    TRP 105           H        TRP 105   6.703   1.600  -6.854
  808    HA   TRP 105           HA       TRP 105   8.822   2.132  -5.191
  809   1HB   TRP 105          1HB       TRP 105   8.013  -0.133  -5.972
  810   2HB   TRP 105          1HB       TRP 105   8.863   0.142  -7.461
  811    HD1  TRP 105           HD       TRP 105  11.131  -0.924  -7.565
  812    HE1  TRP 105          1HE       TRP 105  12.888  -1.690  -5.874
  813    HE3  TRP 105          3HE       TRP 105   8.847   0.612  -3.255
  814    HZ2  TRP 105          2HZ       TRP 105  13.263  -1.662  -3.080
  815    HZ3  TRP 105          3HZ       TRP 105   9.995   0.197  -1.101
  816    HH2  TRP 105           HH       TRP 105  12.162  -0.917  -1.046
  817    H    ASN 106           H        ASN 106   8.661   1.786  -8.586
  818    HA   ASN 106           HA       ASN 106  11.159   2.338  -9.363
  819   1HB   ASN 106          1HB       ASN 106   8.591   2.669 -10.821
  820   2HB   ASN 106          1HB       ASN 106  10.117   3.091 -11.595
  821   1HD2  ASN 106          1HD2      ASN 106  11.805   1.397 -11.545
  822   2HD2  ASN 106          2HD2      ASN 106  11.309  -0.244 -11.753
  823    H    SER 107           H        SER 107  10.045   4.414  -7.470
  824    HA   SER 107           HA       SER 107  11.230   6.700  -8.842
  825   1HB   SER 107          1HB       SER 107   8.711   6.799  -7.169
  826   2HB   SER 107          1HB       SER 107   9.609   8.224  -7.690
  827    HG   SER 107           HG       SER 107   8.857   6.378  -9.646
  828    H    LEU 108           H        LEU 108  11.449   4.596  -6.505
  829    HA   LEU 108           HA       LEU 108  12.162   6.103  -4.223
  830   1HB   LEU 108          1HB       LEU 108  12.101   3.307  -5.074
  831   2HB   LEU 108          1HB       LEU 108  13.291   3.657  -3.843
  832    HG   LEU 108           HG       LEU 108  11.515   3.020  -2.556
  833   1HD1  LEU 108          1HD1      LEU 108  12.160   5.539  -2.257
  834   2HD1  LEU 108          2HD1      LEU 108  10.826   4.819  -1.355
  835   3HD1  LEU 108          3HD1      LEU 108  10.497   5.797  -2.785
  836   1HD2  LEU 108          1HD2      LEU 108   9.137   3.855  -3.197
  837   2HD2  LEU 108          2HD2      LEU 108   9.871   2.473  -4.014
  838   3HD2  LEU 108          3HD2      LEU 108   9.865   4.057  -4.793
  839    H    SER 109           H        SER 109  14.114   5.895  -3.138
  840    HA   SER 109           HA       SER 109  16.465   6.498  -4.768
  841   1HB   SER 109          1HB       SER 109  16.538   6.217  -1.787
  842   2HB   SER 109          1HB       SER 109  17.411   7.337  -2.821
  843    HG   SER 109           HG       SER 109  15.000   7.620  -1.590
  844    H    LEU 110           H        LEU 110  17.607   5.006  -5.456
  845    HA   LEU 110           HA       LEU 110  17.592   2.378  -5.232
  846   1HB   LEU 110          1HB       LEU 110  20.174   2.493  -5.366
  847   2HB   LEU 110          1HB       LEU 110  19.190   3.166  -6.619
  848    HG   LEU 110           HG       LEU 110  21.288   4.413  -5.495
  849   1HD1  LEU 110          1HD1      LEU 110  18.996   5.302  -7.104
  850   2HD1  LEU 110          2HD1      LEU 110  20.719   5.306  -7.477
  851   3HD1  LEU 110          3HD1      LEU 110  20.043   6.549  -6.426
  852   1HD2  LEU 110          1HD2      LEU 110  18.897   5.541  -4.120
  853   2HD2  LEU 110          2HD2      LEU 110  20.429   6.378  -4.290
  854   3HD2  LEU 110          3HD2      LEU 110  20.356   4.871  -3.384
  855    H    ALA 111           H        ALA 111  18.735   4.468  -2.723
  856    HA   ALA 111           HA       ALA 111  19.711   2.328  -1.105
  857   1HB   ALA 111          1HB       ALA 111  20.781   3.911   0.101
  858   2HB   ALA 111          2HB       ALA 111  19.401   5.015   0.040
  859   3HB   ALA 111          3HB       ALA 111  20.485   4.871  -1.354
  860    H    GLN 112           H        GLN 112  16.939   4.450  -1.389
  861    HA   GLN 112           HA       GLN 112  15.745   3.447   1.013
  862   1HB   GLN 112          1HB       GLN 112  15.506   5.808   0.378
  863   2HB   GLN 112          1HB       GLN 112  14.800   5.330  -1.158
  864   1HG   GLN 112          1HG       GLN 112  12.863   4.490  -0.100
  865   2HG   GLN 112          1HG       GLN 112  13.590   4.668   1.499
  866   1HE2  GLN 112          1HE2      GLN 112  12.926   6.366   2.584
  867   2HE2  GLN 112          2HE2      GLN 112  12.376   7.860   1.913
  868    H    ARG 113           H        ARG 113  16.242   2.451  -2.053
  869    HA   ARG 113           HA       ARG 113  13.754   1.065  -2.509
  870   1HB   ARG 113          1HB       ARG 113  15.716   1.828  -4.224
  871   2HB   ARG 113          1HB       ARG 113  16.280   0.209  -3.831
  872   1HG   ARG 113          1HG       ARG 113  14.902  -0.586  -5.361
  873   2HG   ARG 113          1HG       ARG 113  13.571  -0.044  -4.354
  874   1HD   ARG 113          1HD       ARG 113  12.994   1.511  -5.795
  875   2HD   ARG 113          1HD       ARG 113  14.640   2.168  -5.812
  876    HE   ARG 113           HE       ARG 113  13.447   0.703  -7.865
  877   1HH1  ARG 113          1HH1      ARG 113  16.462   0.765  -6.089
  878   2HH1  ARG 113          2HH1      ARG 113  17.372   0.047  -7.374
  879   1HH2  ARG 113          1HH2      ARG 113  14.653  -0.250  -9.544
  880   2HH2  ARG 113          2HH2      ARG 113  16.350  -0.525  -9.329
  881    H    ARG 114           H        ARG 114  17.095   0.518  -1.396
  882    HA   ARG 114           HA       ARG 114  16.467  -2.198  -0.648
  883   1HB   ARG 114          1HB       ARG 114  18.616  -2.388   0.251
  884   2HB   ARG 114          1HB       ARG 114  18.843  -1.306  -1.110
  885   1HG   ARG 114          1HG       ARG 114  20.119  -0.362   0.553
  886   2HG   ARG 114          1HG       ARG 114  18.622   0.545   0.681
  887   1HD   ARG 114          1HD       ARG 114  17.895  -1.125   2.444
  888   2HD   ARG 114          1HD       ARG 114  19.537  -1.739   2.394
  889    HE   ARG 114           HE       ARG 114  18.787   0.968   3.261
  890   1HH1  ARG 114          1HH1      ARG 114  21.031  -1.726   3.256
  891   2HH1  ARG 114          2HH1      ARG 114  22.074  -1.008   4.433
  892   1HH2  ARG 114          1HH2      ARG 114  20.185   1.906   4.785
  893   2HH2  ARG 114          2HH2      ARG 114  21.597   1.046   5.299
  894    H    GLY 115           H        GLY 115  16.934   0.859   1.038
  895   1HA   GLY 115          2HA       GLY 115  16.652   0.132   3.605
  896   2HA   GLY 115          1HA       GLY 115  15.972   1.630   2.981
  897    H    PHE 116           H        PHE 116  13.889   0.437   1.319
  898    HA   PHE 116           HA       PHE 116  12.128  -0.139   3.510
  899   1HB   PHE 116          1HB       PHE 116  11.765  -0.150   0.523
  900   2HB   PHE 116          1HB       PHE 116  10.534  -0.867   1.554
  901    HD1  PHE 116          1HD       PHE 116   8.740   0.475   1.993
  902    HD2  PHE 116          2HD       PHE 116  12.577   2.256   1.504
  903    HE1  PHE 116          1HE       PHE 116   7.753   2.696   2.373
  904    HE2  PHE 116          2HE       PHE 116  11.592   4.478   1.887
  905    HZ   PHE 116           HZ       PHE 116   9.181   4.699   2.322
  906    H    THR 117           H        THR 117  13.204  -2.019   0.740
  907    HA   THR 117           HA       THR 117  12.336  -4.475   1.419
  908    HB   THR 117           HB       THR 117  13.750  -3.658  -0.614
  909    HG1  THR 117          1HG       THR 117  12.697  -5.664  -0.505
  910   1HG2  THR 117          1HG2      THR 117  15.891  -3.372   0.213
  911   2HG2  THR 117          2HG2      THR 117  15.951  -4.935  -0.582
  912   3HG2  THR 117          3HG2      THR 117  15.846  -4.841   1.175
  913    H    LYS 118           H        LYS 118  14.840  -2.824   3.099
  914    HA   LYS 118           HA       LYS 118  15.124  -5.225   4.775
  915   1HB   LYS 118          1HB       LYS 118  17.602  -4.280   4.910
  916   2HB   LYS 118          1HB       LYS 118  17.104  -5.455   3.720
  917   1HG   LYS 118          1HG       LYS 118  16.613  -3.019   2.533
  918   2HG   LYS 118          1HG       LYS 118  18.117  -2.792   3.414
  919   1HD   LYS 118          1HD       LYS 118  17.848  -5.289   1.870
  920   2HD   LYS 118          1HD       LYS 118  18.015  -3.798   0.944
  921   1HE   LYS 118          1HE       LYS 118  20.216  -4.523   1.250
  922   2HE   LYS 118          1HE       LYS 118  19.990  -3.287   2.483
  923   1HZ   LYS 118          1HZ       LYS 118  19.297  -5.342   3.912
  924   2HZ   LYS 118          2HZ       LYS 118  20.928  -4.943   3.711
  925   3HZ   LYS 118          3HZ       LYS 118  20.244  -6.188   2.794
  926    H    THR 119           H        THR 119  15.721  -1.816   4.535
  927    HA   THR 119           HA       THR 119  16.561  -1.688   7.302
  928    HB   THR 119           HB       THR 119  16.637   0.716   5.709
  929    HG1  THR 119          1HG       THR 119  16.922  -0.423   3.939
  930   1HG2  THR 119          1HG2      THR 119  18.633   0.905   6.690
  931   2HG2  THR 119          2HG2      THR 119  19.141  -0.672   6.059
  932   3HG2  THR 119          3HG2      THR 119  18.260  -0.567   7.592
  933    H    TYR 120           H        TYR 120  13.623  -0.584   5.709
  934    HA   TYR 120           HA       TYR 120  13.508   1.576   7.648
  935   1HB   TYR 120          1HB       TYR 120  12.079   1.035   5.094
  936   2HB   TYR 120          1HB       TYR 120  11.476   2.182   6.256
  937    HD1  TYR 120          1HD       TYR 120  14.916   1.431   5.094
  938    HD2  TYR 120          2HD       TYR 120  11.845   4.329   5.556
  939    HE1  TYR 120          1HE       TYR 120  16.437   3.166   4.247
  940    HE2  TYR 120          2HE       TYR 120  13.353   6.071   4.711
  941    HH   TYR 120           HH       TYR 120  15.340   6.380   3.512
  942    H    THR 121           H        THR 121  12.673  -1.432   8.146
  943    HA   THR 121           HA       THR 121  10.020  -0.815   9.236
  944    HB   THR 121           HB       THR 121   9.362  -2.847   8.648
  945    HG1  THR 121          1HG       THR 121  11.164  -4.616   9.197
  946   1HG2  THR 121          1HG2      THR 121  12.016  -3.624   7.569
  947   2HG2  THR 121          2HG2      THR 121  11.104  -2.318   6.809
  948   3HG2  THR 121          3HG2      THR 121  10.401  -3.934   6.931
  949    H    VAL 122           H        VAL 122  13.081  -1.062   9.966
  950    HA   VAL 122           HA       VAL 122  12.603  -1.484  12.833
  951    HB   VAL 122           HB       VAL 122  15.256  -2.178  11.602
  952   1HG1  VAL 122          1HG1      VAL 122  15.792  -2.243  13.768
  953   2HG1  VAL 122          2HG1      VAL 122  14.842  -3.726  13.839
  954   3HG1  VAL 122          3HG1      VAL 122  14.103  -2.186  14.275
  955   1HG2  VAL 122          1HG2      VAL 122  12.779  -3.662  11.417
  956   2HG2  VAL 122          2HG2      VAL 122  14.015  -4.572  12.283
  957   3HG2  VAL 122          3HG2      VAL 122  14.338  -3.975  10.656
  958    H    GLY 123           H        GLY 123  14.198   0.286  10.326
  959   1HA   GLY 123          2HA       GLY 123  14.981   2.325  12.295
  960   2HA   GLY 123          1HA       GLY 123  16.034   1.888  10.946
  961    H    CYS 124           H        CYS 124  12.602   2.021  10.908
  962    HA   CYS 124           HA       CYS 124  12.162   3.235   8.528
  963   1HB   CYS 124          1HB       CYS 124  10.017   4.067  10.148
  964   2HB   CYS 124          1HB       CYS 124  10.136   2.653   9.128
  965    H    GLU 125           H        GLU 125  14.116   4.867   9.031
  966    HA   GLU 125           HA       GLU 125  12.828   7.470   9.460
  967   1HB   GLU 125          1HB       GLU 125  15.435   7.934  10.180
  968   2HB   GLU 125          1HB       GLU 125  14.092   7.691  11.295
  969   1HG   GLU 125          1HG       GLU 125  14.569   5.226  11.134
  970   2HG   GLU 125          1HG       GLU 125  16.075   5.673  10.319
  971    H    GLU 126           H        GLU 126  12.607   7.766   7.200
  972    HA   GLU 126           HA       GLU 126  14.387   7.344   5.244
  973   1HB   GLU 126          1HB       GLU 126  13.018   8.608   3.957
  974   2HB   GLU 126          1HB       GLU 126  12.015   8.600   5.399
  975   1HG   GLU 126          1HG       GLU 126  13.523  10.744   5.942
  976   2HG   GLU 126          1HG       GLU 126  13.566  10.796   4.183
  Start of MODEL   14
    1   1H    CYS   1          1HT       CYS   1  -6.755  13.941   5.202
    2   2H    CYS   1          2HT       CYS   1  -8.222  13.503   5.976
    3   3H    CYS   1          3HT       CYS   1  -8.257  14.376   4.499
    4    HA   CYS   1           HA       CYS   1  -7.368  11.609   4.947
    5   1HB   CYS   1          1HB       CYS   1  -9.779  12.961   3.876
    6   2HB   CYS   1          1HB       CYS   1  -9.223  11.547   2.987
    7    H    THR   2           H        THR   2  -8.013  13.999   2.363
    8    HA   THR   2           HA       THR   2  -6.064  12.637   0.679
    9    HB   THR   2           HB       THR   2  -6.858  14.124  -1.113
   10    HG1  THR   2          1HG       THR   2  -8.426  15.232   0.963
   11   1HG2  THR   2          1HG2      THR   2  -8.216  12.341  -1.290
   12   2HG2  THR   2          2HG2      THR   2  -9.436  13.511  -0.782
   13   3HG2  THR   2          3HG2      THR   2  -8.719  12.415   0.400
   14    H    CYS   3           H        CYS   3  -4.178  13.133   1.709
   15    HA   CYS   3           HA       CYS   3  -3.371  15.956   1.608
   16   1HB   CYS   3          1HB       CYS   3  -2.309  15.726   3.602
   17   2HB   CYS   3          1HB       CYS   3  -3.487  14.463   3.827
   18    H    VAL   4           H        VAL   4  -0.678  15.758   1.794
   19    HA   VAL   4           HA       VAL   4  -0.035  14.553  -0.780
   20    HB   VAL   4           HB       VAL   4   1.810  16.015  -0.944
   21   1HG1  VAL   4          1HG1      VAL   4   0.408  18.154   0.262
   22   2HG1  VAL   4          2HG1      VAL   4  -0.789  17.016  -0.356
   23   3HG1  VAL   4          3HG1      VAL   4   0.435  17.680  -1.437
   24   1HG2  VAL   4          1HG2      VAL   4   2.780  15.741   1.239
   25   2HG2  VAL   4          2HG2      VAL   4   1.429  16.592   1.990
   26   3HG2  VAL   4          3HG2      VAL   4   2.542  17.461   0.933
   27    HA   PRO   5           HA       PRO   5   2.564  11.181   0.276
   28   1HB   PRO   5          1HB       PRO   5   4.862  12.897  -0.596
   29   2HB   PRO   5          1HB       PRO   5   4.525  11.203  -0.966
   30   1HG   PRO   5          1HG       PRO   5   3.978  13.117  -2.736
   31   2HG   PRO   5          1HG       PRO   5   2.896  11.727  -2.528
   32   1HD   PRO   5          1HD       PRO   5   2.519  14.546  -1.717
   33   2HD   PRO   5          1HD       PRO   5   1.309  13.305  -2.077
   34    HA   PRO   6           HA       PRO   6   4.154  12.705   4.261
   35   1HB   PRO   6          1HB       PRO   6   3.164  10.758   5.768
   36   2HB   PRO   6          1HB       PRO   6   2.120  12.027   5.121
   37   1HG   PRO   6          1HG       PRO   6   2.411   9.198   4.269
   38   2HG   PRO   6          1HG       PRO   6   0.987  10.248   4.215
   39   1HD   PRO   6          1HD       PRO   6   2.748   9.646   2.077
   40   2HD   PRO   6          1HD       PRO   6   1.448  10.852   2.083
   41    H    HIS   7           H        HIS   7   6.143  12.372   5.004
   42    HA   HIS   7           HA       HIS   7   8.082  10.965   4.117
   43   1HB   HIS   7          1HB       HIS   7   7.357  11.442   6.974
   44   2HB   HIS   7          1HB       HIS   7   8.864  10.666   6.538
   45    HD1  HIS   7          1HD       HIS   7  10.676  12.123   5.402
   46    HD2  HIS   7          2HD       HIS   7   7.203  14.173   6.399
   47    HE1  HIS   7          1HE       HIS   7  11.246  14.563   5.173
   48    HE2  HIS   7          2HE       HIS   7   9.107  15.782   5.710
   49    HA   PRO   8           HA       PRO   8   7.198   6.583   4.281
   50   1HB   PRO   8          1HB       PRO   8   9.503   5.825   3.136
   51   2HB   PRO   8          1HB       PRO   8   8.194   6.539   2.189
   52   1HG   PRO   8          1HG       PRO   8  10.625   7.833   3.315
   53   2HG   PRO   8          1HG       PRO   8   9.954   7.991   1.690
   54   1HD   PRO   8          1HD       PRO   8   9.554   9.846   3.614
   55   2HD   PRO   8          1HD       PRO   8   8.327   9.473   2.390
   56    H    GLN   9           H        GLN   9   9.557   8.485   5.728
   57    HA   GLN   9           HA       GLN   9  11.008   6.467   7.144
   58   1HB   GLN   9          1HB       GLN   9  11.626   8.384   8.680
   59   2HB   GLN   9          1HB       GLN   9  12.054   8.637   7.001
   60   1HG   GLN   9          1HG       GLN   9  10.233  10.108   6.681
   61   2HG   GLN   9          1HG       GLN   9   9.583   9.740   8.279
   62   1HE2  GLN   9          1HE2      GLN   9  12.666  10.788   6.857
   63   2HE2  GLN   9          2HE2      GLN   9  12.973  12.034   8.009
   64    H    THR  10           H        THR  10   8.135   8.382   7.582
   65    HA   THR  10           HA       THR  10   7.554   7.206  10.182
   66    HB   THR  10           HB       THR  10   6.789   9.585   8.591
   67    HG1  THR  10          1HG       THR  10   7.858  10.125  10.320
   68   1HG2  THR  10          1HG2      THR  10   4.752   9.516  10.493
   69   2HG2  THR  10          2HG2      THR  10   4.639   7.997   9.609
   70   3HG2  THR  10          3HG2      THR  10   4.600   9.533   8.733
   71    H    ALA  11           H        ALA  11   6.422   7.354   6.818
   72    HA   ALA  11           HA       ALA  11   4.036   5.928   7.097
   73   1HB   ALA  11          1HB       ALA  11   3.971   5.820   4.813
   74   2HB   ALA  11          2HB       ALA  11   5.719   5.650   4.664
   75   3HB   ALA  11          3HB       ALA  11   5.018   7.212   5.088
   76    H    PHE  12           H        PHE  12   7.331   4.798   7.048
   77    HA   PHE  12           HA       PHE  12   6.611   2.088   6.424
   78   1HB   PHE  12          1HB       PHE  12   8.923   3.245   6.110
   79   2HB   PHE  12          1HB       PHE  12   9.161   2.925   7.824
   80    HD1  PHE  12          1HD       PHE  12   8.576   0.372   8.480
   81    HD2  PHE  12          2HD       PHE  12   9.788   1.753   4.650
   82    HE1  PHE  12          1HE       PHE  12   9.355  -1.894   7.912
   83    HE2  PHE  12          2HE       PHE  12  10.560  -0.508   4.069
   84    HZ   PHE  12           HZ       PHE  12  10.346  -2.336   5.701
   85    H    CYS  13           H        CYS  13   7.915   3.617   9.308
   86    HA   CYS  13           HA       CYS  13   7.451   1.469  11.003
   87   1HB   CYS  13          1HB       CYS  13   7.410   3.785  12.593
   88   2HB   CYS  13          1HB       CYS  13   8.768   2.714  12.304
   89    H    ASN  14           H        ASN  14   5.560   4.498  10.674
   90    HA   ASN  14           HA       ASN  14   3.688   3.846  12.604
   91   1HB   ASN  14          1HB       ASN  14   3.937   5.806  10.491
   92   2HB   ASN  14          1HB       ASN  14   2.278   5.243  10.619
   93   1HD2  ASN  14          1HD2      ASN  14   4.973   6.467  12.551
   94   2HD2  ASN  14          2HD2      ASN  14   3.995   7.302  13.705
   95    H    SER  15           H        SER  15   3.608   3.031   9.062
   96    HA   SER  15           HA       SER  15   1.106   1.790   9.241
   97   1HB   SER  15          1HB       SER  15   2.697   2.678   7.194
   98   2HB   SER  15          1HB       SER  15   2.735   0.932   7.017
   99    HG   SER  15           HG       SER  15   0.707   2.685   6.543
  100    H    ASP  16           H        ASP  16   0.603  -0.095   9.133
  101    HA   ASP  16           HA       ASP  16   2.275  -2.170  10.177
  102   1HB   ASP  16          1HB       ASP  16  -0.588  -1.586  10.158
  103   2HB   ASP  16          1HB       ASP  16  -0.143  -3.283  10.244
  104    H    LEU  17           H        LEU  17   1.797  -1.324   7.226
  105    HA   LEU  17           HA       LEU  17   2.306  -3.917   6.248
  106   1HB   LEU  17          1HB       LEU  17  -0.410  -2.842   5.684
  107   2HB   LEU  17          1HB       LEU  17   0.419  -3.720   4.412
  108    HG   LEU  17           HG       LEU  17  -0.220  -4.752   7.169
  109   1HD1  LEU  17          1HD1      LEU  17  -2.092  -4.535   5.487
  110   2HD1  LEU  17          2HD1      LEU  17  -1.813  -6.136   6.162
  111   3HD1  LEU  17          3HD1      LEU  17  -1.250  -5.754   4.550
  112   1HD2  LEU  17          1HD2      LEU  17   1.651  -5.659   5.116
  113   2HD2  LEU  17          2HD2      LEU  17   0.531  -6.899   5.674
  114   3HD2  LEU  17          3HD2      LEU  17   1.561  -6.058   6.831
  115    H    VAL  18           H        VAL  18   3.940  -3.614   4.962
  116    HA   VAL  18           HA       VAL  18   3.856  -1.416   3.022
  117    HB   VAL  18           HB       VAL  18   6.429  -2.122   4.419
  118   1HG1  VAL  18          1HG1      VAL  18   5.448   0.267   2.855
  119   2HG1  VAL  18          2HG1      VAL  18   6.682  -0.901   2.381
  120   3HG1  VAL  18          3HG1      VAL  18   6.989   0.215   3.711
  121   1HG2  VAL  18          1HG2      VAL  18   5.687  -1.226   6.332
  122   2HG2  VAL  18          2HG2      VAL  18   4.182  -0.695   5.586
  123   3HG2  VAL  18          3HG2      VAL  18   5.618   0.319   5.489
  124    H    ILE  19           H        ILE  19   4.135  -2.237   1.076
  125    HA   ILE  19           HA       ILE  19   5.939  -4.481   0.676
  126    HB   ILE  19           HB       ILE  19   4.279  -5.789  -0.506
  127   1HG1  ILE  19          1HG1      ILE  19   2.924  -3.848  -1.309
  128   2HG1  ILE  19          1HG1      ILE  19   1.959  -5.171  -0.664
  129   1HG2  ILE  19          1HG2      ILE  19   4.482  -5.706   2.124
  130   2HG2  ILE  19          2HG2      ILE  19   3.293  -6.721   1.316
  131   3HG2  ILE  19          3HG2      ILE  19   2.810  -5.167   1.996
  132   1HD1  ILE  19          1HD1      ILE  19   2.442  -2.462   0.452
  133   2HD1  ILE  19          2HD1      ILE  19   2.068  -3.791   1.543
  134   3HD1  ILE  19          3HD1      ILE  19   0.934  -3.350   0.267
  135    H    ARG  20           H        ARG  20   5.264  -5.074  -1.888
  136    HA   ARG  20           HA       ARG  20   5.212  -2.620  -3.362
  137   1HB   ARG  20          1HB       ARG  20   7.129  -2.884  -4.604
  138   2HB   ARG  20          1HB       ARG  20   7.679  -3.532  -3.072
  139   1HG   ARG  20          1HG       ARG  20   7.386  -5.781  -3.872
  140   2HG   ARG  20          1HG       ARG  20   6.677  -5.173  -5.368
  141   1HD   ARG  20          1HD       ARG  20   8.802  -4.008  -5.861
  142   2HD   ARG  20          1HD       ARG  20   9.501  -4.734  -4.424
  143    HE   ARG  20           HE       ARG  20   8.742  -6.148  -6.876
  144   1HH1  ARG  20          1HH1      ARG  20  10.370  -6.134  -3.777
  145   2HH1  ARG  20          2HH1      ARG  20  11.181  -7.634  -4.064
  146   1HH2  ARG  20          1HH2      ARG  20   9.816  -8.120  -7.240
  147   2HH2  ARG  20          2HH2      ARG  20  10.867  -8.760  -6.021
  148    H    ALA  21           H        ALA  21   3.987  -2.853  -5.077
  149    HA   ALA  21           HA       ALA  21   3.185  -5.486  -6.094
  150   1HB   ALA  21          1HB       ALA  21   1.204  -3.831  -4.565
  151   2HB   ALA  21          2HB       ALA  21   1.857  -5.404  -4.118
  152   3HB   ALA  21          3HB       ALA  21   0.795  -5.256  -5.518
  153    H    LYS  22           H        LYS  22   1.201  -5.431  -7.363
  154    HA   LYS  22           HA       LYS  22   1.008  -3.158  -9.227
  155   1HB   LYS  22          1HB       LYS  22   1.510  -6.019  -9.715
  156   2HB   LYS  22          1HB       LYS  22   0.303  -5.301 -10.761
  157   1HG   LYS  22          1HG       LYS  22   1.876  -3.901 -11.744
  158   2HG   LYS  22          1HG       LYS  22   2.986  -4.033 -10.378
  159   1HD   LYS  22          1HD       LYS  22   2.507  -6.634 -11.475
  160   2HD   LYS  22          1HD       LYS  22   2.984  -5.535 -12.764
  161   1HE   LYS  22          1HE       LYS  22   5.085  -5.409 -12.037
  162   2HE   LYS  22          1HE       LYS  22   4.586  -5.237 -10.354
  163   1HZ   LYS  22          1HZ       LYS  22   5.820  -7.261 -10.631
  164   2HZ   LYS  22          2HZ       LYS  22   4.802  -7.775 -11.879
  165   3HZ   LYS  22          3HZ       LYS  22   4.207  -7.650 -10.300
  166    H    PHE  23           H        PHE  23  -1.138  -2.785 -10.053
  167    HA   PHE  23           HA       PHE  23  -3.258  -4.036  -8.417
  168   1HB   PHE  23          1HB       PHE  23  -3.319  -1.543 -10.137
  169   2HB   PHE  23          1HB       PHE  23  -4.713  -2.196  -9.283
  170    HD1  PHE  23          1HD       PHE  23  -5.202  -1.404  -7.182
  171    HD2  PHE  23          2HD       PHE  23  -1.221  -1.072  -8.650
  172    HE1  PHE  23          1HE       PHE  23  -4.571  -0.133  -5.174
  173    HE2  PHE  23          2HE       PHE  23  -0.583   0.199  -6.644
  174    HZ   PHE  23           HZ       PHE  23  -2.261   0.666  -4.904
  175    H    VAL  24           H        VAL  24  -4.413  -5.516  -9.098
  176    HA   VAL  24           HA       VAL  24  -4.895  -5.789 -11.963
  177    HB   VAL  24           HB       VAL  24  -4.710  -8.281 -11.456
  178   1HG1  VAL  24          1HG1      VAL  24  -2.509  -8.324 -12.251
  179   2HG1  VAL  24          2HG1      VAL  24  -2.125  -6.806 -11.440
  180   3HG1  VAL  24          3HG1      VAL  24  -3.187  -6.811 -12.849
  181   1HG2  VAL  24          1HG2      VAL  24  -3.928  -9.032  -9.548
  182   2HG2  VAL  24          2HG2      VAL  24  -4.201  -7.406  -8.923
  183   3HG2  VAL  24          3HG2      VAL  24  -2.629  -7.855  -9.564
  184    H    GLY  25           H        GLY  25  -6.758  -4.699 -10.209
  185   1HA   GLY  25          2HA       GLY  25  -9.016  -6.281 -10.744
  186   2HA   GLY  25          1HA       GLY  25  -8.652  -6.334  -9.030
  187    H    THR  26           H        THR  26 -11.017  -5.206  -9.863
  188    HA   THR  26           HA       THR  26 -10.570  -2.306  -9.743
  189    HB   THR  26           HB       THR  26 -11.920  -3.187 -11.606
  190    HG1  THR  26          1HG       THR  26 -13.697  -1.810 -11.298
  191   1HG2  THR  26          1HG2      THR  26 -12.906  -5.076 -10.130
  192   2HG2  THR  26          2HG2      THR  26 -13.883  -4.351 -11.406
  193   3HG2  THR  26          3HG2      THR  26 -14.124  -3.868  -9.726
  194    HA   PRO  27           HA       PRO  27 -12.063  -1.946  -5.627
  195   1HB   PRO  27          1HB       PRO  27 -13.201   0.494  -5.670
  196   2HB   PRO  27          1HB       PRO  27 -11.463   0.242  -5.804
  197   1HG   PRO  27          1HG       PRO  27 -13.458   0.727  -7.979
  198   2HG   PRO  27          1HG       PRO  27 -11.873   1.487  -7.732
  199   1HD   PRO  27          1HD       PRO  27 -12.233  -0.531  -9.472
  200   2HD   PRO  27          1HD       PRO  27 -10.728  -0.335  -8.558
  201    H    GLU  28           H        GLU  28 -13.651  -3.091  -4.784
  202    HA   GLU  28           HA       GLU  28 -16.361  -2.970  -5.867
  203   1HB   GLU  28          1HB       GLU  28 -16.885  -4.758  -4.323
  204   2HB   GLU  28          1HB       GLU  28 -15.366  -5.144  -5.118
  205   1HG   GLU  28          1HG       GLU  28 -14.115  -4.583  -3.206
  206   2HG   GLU  28          1HG       GLU  28 -15.501  -3.832  -2.424
  207    H    VAL  29           H        VAL  29 -17.650  -1.314  -5.208
  208    HA   VAL  29           HA       VAL  29 -17.041  -0.130  -2.593
  209    HB   VAL  29           HB       VAL  29 -18.786   1.146  -4.648
  210   1HG1  VAL  29          1HG1      VAL  29 -18.616   2.034  -2.303
  211   2HG1  VAL  29          2HG1      VAL  29 -18.216   3.177  -3.585
  212   3HG1  VAL  29          3HG1      VAL  29 -16.930   2.411  -2.655
  213   1HG2  VAL  29          1HG2      VAL  29 -16.012   0.497  -4.965
  214   2HG2  VAL  29          2HG2      VAL  29 -16.210   2.245  -4.869
  215   3HG2  VAL  29          3HG2      VAL  29 -17.098   1.325  -6.080
  216    H    ASN  30           H        ASN  30 -18.350  -1.286  -1.044
  217    HA   ASN  30           HA       ASN  30 -21.112  -1.751  -1.569
  218   1HB   ASN  30          1HB       ASN  30 -19.527  -2.713   0.368
  219   2HB   ASN  30          1HB       ASN  30 -20.278  -1.395   1.260
  220   1HD2  ASN  30          1HD2      ASN  30 -22.143  -1.783   2.214
  221   2HD2  ASN  30          2HD2      ASN  30 -23.229  -3.066   1.820
  222    H    GLN  31           H        GLN  31 -22.888  -0.667  -0.679
  223    HA   GLN  31           HA       GLN  31 -22.599   2.217  -0.702
  224   1HB   GLN  31          1HB       GLN  31 -25.070   0.542  -0.226
  225   2HB   GLN  31          1HB       GLN  31 -25.048   2.264  -0.600
  226   1HG   GLN  31          1HG       GLN  31 -23.889   0.250  -2.478
  227   2HG   GLN  31          1HG       GLN  31 -25.618   0.590  -2.457
  228   1HE2  GLN  31          1HE2      GLN  31 -22.439   1.989  -2.959
  229   2HE2  GLN  31          2HE2      GLN  31 -22.967   3.319  -3.926
  230    H    THR  32           H        THR  32 -22.441  -0.211   1.598
  231    HA   THR  32           HA       THR  32 -22.911   1.729   3.738
  232    HB   THR  32           HB       THR  32 -24.387  -0.723   3.028
  233    HG1  THR  32          1HG       THR  32 -25.898   0.556   4.503
  234   1HG2  THR  32          1HG2      THR  32 -23.226  -1.413   5.188
  235   2HG2  THR  32          2HG2      THR  32 -24.979  -1.512   5.132
  236   3HG2  THR  32          3HG2      THR  32 -24.202  -0.171   5.969
  237    H    THR  33           H        THR  33 -20.414   0.860   2.683
  238    HA   THR  33           HA       THR  33 -19.435  -0.924   4.776
  239    HB   THR  33           HB       THR  33 -18.418  -1.741   2.903
  240    HG1  THR  33          1HG       THR  33 -16.375  -0.977   2.730
  241   1HG2  THR  33          1HG2      THR  33 -18.231  -0.816   0.828
  242   2HG2  THR  33          2HG2      THR  33 -17.899   0.784   1.482
  243   3HG2  THR  33          3HG2      THR  33 -19.543   0.169   1.458
  244    H    LEU  34           H        LEU  34 -18.686   1.953   2.882
  245    HA   LEU  34           HA       LEU  34 -17.910   3.997   3.708
  246   1HB   LEU  34          1HB       LEU  34 -17.628   2.412   6.164
  247   2HB   LEU  34          1HB       LEU  34 -16.382   3.572   5.879
  248    HG   LEU  34           HG       LEU  34 -19.326   4.178   5.957
  249   1HD1  LEU  34          1HD1      LEU  34 -17.655   3.574   8.065
  250   2HD1  LEU  34          2HD1      LEU  34 -19.169   4.475   8.163
  251   3HD1  LEU  34          3HD1      LEU  34 -17.636   5.337   8.016
  252   1HD2  LEU  34          1HD2      LEU  34 -17.472   5.582   4.612
  253   2HD2  LEU  34          2HD2      LEU  34 -17.242   6.270   6.225
  254   3HD2  LEU  34          3HD2      LEU  34 -18.827   6.344   5.457
  255    H    TYR  35           H        TYR  35 -16.664   1.029   3.109
  256    HA   TYR  35           HA       TYR  35 -14.190   2.120   2.060
  257   1HB   TYR  35          1HB       TYR  35 -13.074  -0.108   2.872
  258   2HB   TYR  35          1HB       TYR  35 -13.132   1.322   3.876
  259    HD1  TYR  35          1HD       TYR  35 -14.885   1.536   5.588
  260    HD2  TYR  35          2HD       TYR  35 -14.029  -2.112   3.605
  261    HE1  TYR  35          1HE       TYR  35 -15.965   0.337   7.396
  262    HE2  TYR  35          2HE       TYR  35 -15.134  -3.362   5.428
  263    HH   TYR  35           HH       TYR  35 -17.181  -2.114   7.538
  264    H    GLN  36           H        GLN  36 -13.003   0.582   0.710
  265    HA   GLN  36           HA       GLN  36 -14.866  -1.112  -0.810
  266   1HB   GLN  36          1HB       GLN  36 -12.803   0.841  -1.802
  267   2HB   GLN  36          1HB       GLN  36 -13.683  -0.279  -2.841
  268   1HG   GLN  36          1HG       GLN  36 -15.567   0.948  -2.762
  269   2HG   GLN  36          1HG       GLN  36 -15.289   1.442  -1.090
  270   1HE2  GLN  36          1HE2      GLN  36 -13.576   3.048  -0.748
  271   2HE2  GLN  36          2HE2      GLN  36 -13.359   4.284  -1.935
  272    H    ARG  37           H        ARG  37 -13.369  -2.383  -2.553
  273    HA   ARG  37           HA       ARG  37 -10.927  -3.284  -1.219
  274   1HB   ARG  37          1HB       ARG  37 -13.286  -5.012  -1.844
  275   2HB   ARG  37          1HB       ARG  37 -11.673  -5.683  -1.738
  276   1HG   ARG  37          1HG       ARG  37 -11.609  -4.526   0.567
  277   2HG   ARG  37          1HG       ARG  37 -13.367  -4.478   0.398
  278   1HD   ARG  37          1HD       ARG  37 -12.724  -7.037  -0.367
  279   2HD   ARG  37          1HD       ARG  37 -11.604  -6.720   0.946
  280    HE   ARG  37           HE       ARG  37 -14.018  -5.897   1.913
  281   1HH1  ARG  37          1HH1      ARG  37 -12.785  -8.873   0.577
  282   2HH1  ARG  37          2HH1      ARG  37 -13.896  -9.875   1.451
  283   1HH2  ARG  37          1HH2      ARG  37 -15.488  -7.212   3.060
  284   2HH2  ARG  37          2HH2      ARG  37 -15.432  -8.931   2.859
  285    H    TYR  38           H        TYR  38  -9.490  -2.870  -2.686
  286    HA   TYR  38           HA       TYR  38  -9.947  -3.470  -5.523
  287   1HB   TYR  38          1HB       TYR  38  -7.504  -2.242  -4.225
  288   2HB   TYR  38          1HB       TYR  38  -7.756  -2.428  -5.945
  289    HD1  TYR  38          1HD       TYR  38  -8.043  -0.416  -6.972
  290    HD2  TYR  38          2HD       TYR  38  -9.815  -0.985  -3.145
  291    HE1  TYR  38          1HE       TYR  38  -8.971   1.845  -7.081
  292    HE2  TYR  38          2HE       TYR  38 -10.751   1.286  -3.248
  293    HH   TYR  38           HH       TYR  38 -10.869   3.197  -4.400
  294    H    GLU  39           H        GLU  39  -8.602  -4.891  -6.706
  295    HA   GLU  39           HA       GLU  39  -7.259  -6.950  -5.102
  296   1HB   GLU  39          1HB       GLU  39  -8.958  -7.758  -6.677
  297   2HB   GLU  39          1HB       GLU  39  -8.180  -6.909  -7.976
  298   1HG   GLU  39          1HG       GLU  39  -7.638  -9.192  -8.207
  299   2HG   GLU  39          1HG       GLU  39  -6.187  -8.347  -7.674
  300    H    ILE  40           H        ILE  40  -5.028  -7.261  -5.330
  301    HA   ILE  40           HA       ILE  40  -3.771  -5.682  -7.465
  302    HB   ILE  40           HB       ILE  40  -1.985  -5.141  -5.636
  303   1HG1  ILE  40          1HG1      ILE  40  -4.218  -4.865  -3.752
  304   2HG1  ILE  40          1HG1      ILE  40  -3.705  -6.521  -4.044
  305   1HG2  ILE  40          1HG2      ILE  40  -4.020  -3.283  -5.009
  306   2HG2  ILE  40          2HG2      ILE  40  -4.267  -3.782  -6.683
  307   3HG2  ILE  40          3HG2      ILE  40  -2.714  -3.112  -6.183
  308   1HD1  ILE  40          1HD1      ILE  40  -1.947  -6.256  -2.732
  309   2HD1  ILE  40          2HD1      ILE  40  -2.562  -4.657  -2.310
  310   3HD1  ILE  40          3HD1      ILE  40  -1.420  -4.840  -3.641
  311    H    LYS  41           H        LYS  41  -2.100  -6.541  -8.404
  312    HA   LYS  41           HA       LYS  41  -1.267  -9.173  -7.748
  313   1HB   LYS  41          1HB       LYS  41  -0.745  -7.299  -9.920
  314   2HB   LYS  41          1HB       LYS  41   0.690  -8.199  -9.470
  315   1HG   LYS  41          1HG       LYS  41  -1.842  -9.165 -10.700
  316   2HG   LYS  41          1HG       LYS  41  -0.177  -9.510 -11.137
  317   1HD   LYS  41          1HD       LYS  41  -1.370 -10.529  -8.573
  318   2HD   LYS  41          1HD       LYS  41  -1.577 -11.387 -10.096
  319   1HE   LYS  41          1HE       LYS  41   0.437 -12.284  -9.909
  320   2HE   LYS  41          1HE       LYS  41   1.173 -10.686  -9.791
  321   1HZ   LYS  41          1HZ       LYS  41   0.802 -10.698  -7.425
  322   2HZ   LYS  41          2HZ       LYS  41   1.652 -12.095  -7.860
  323   3HZ   LYS  41          3HZ       LYS  41  -0.001 -12.186  -7.512
  324    H    MET  42           H        MET  42  -0.577  -8.861  -5.573
  325    HA   MET  42           HA       MET  42   1.381  -7.054  -4.780
  326   1HB   MET  42          1HB       MET  42  -0.023  -8.197  -3.172
  327   2HB   MET  42          1HB       MET  42   0.652  -9.750  -3.645
  328   1HG   MET  42          1HG       MET  42   2.831  -8.150  -2.919
  329   2HG   MET  42          1HG       MET  42   1.587  -7.868  -1.702
  330   1HE   MET  42          1HE       MET  42   4.091 -10.197  -3.290
  331   2HE   MET  42          2HE       MET  42   4.363 -11.344  -1.979
  332   3HE   MET  42          3HE       MET  42   4.668  -9.627  -1.725
  333    H    THR  43           H        THR  43   3.564  -7.008  -5.008
  334    HA   THR  43           HA       THR  43   4.696  -9.147  -6.563
  335    HB   THR  43           HB       THR  43   6.169  -6.724  -5.600
  336    HG1  THR  43          1HG       THR  43   4.714  -6.863  -8.016
  337   1HG2  THR  43          1HG2      THR  43   6.640  -8.806  -7.605
  338   2HG2  THR  43          2HG2      THR  43   7.782  -7.811  -6.702
  339   3HG2  THR  43          3HG2      THR  43   6.978  -7.156  -8.128
  340    H    LYS  44           H        LYS  44   5.785  -7.338  -3.666
  341    HA   LYS  44           HA       LYS  44   6.450  -9.779  -2.289
  342   1HB   LYS  44          1HB       LYS  44   8.464  -8.417  -3.723
  343   2HB   LYS  44          1HB       LYS  44   8.702  -7.988  -2.035
  344   1HG   LYS  44          1HG       LYS  44   9.353 -10.062  -1.456
  345   2HG   LYS  44          1HG       LYS  44   8.232 -10.843  -2.573
  346   1HD   LYS  44          1HD       LYS  44   9.980 -11.253  -3.891
  347   2HD   LYS  44          1HD       LYS  44  10.050  -9.519  -4.213
  348   1HE   LYS  44          1HE       LYS  44  12.027  -9.413  -3.210
  349   2HE   LYS  44          1HE       LYS  44  11.304  -9.993  -1.711
  350   1HZ   LYS  44          1HZ       LYS  44  12.895 -11.413  -3.665
  351   2HZ   LYS  44          2HZ       LYS  44  11.550 -12.266  -3.099
  352   3HZ   LYS  44          3HZ       LYS  44  12.709 -11.696  -2.007
  353    H    MET  45           H        MET  45   6.382  -9.436  -0.017
  354    HA   MET  45           HA       MET  45   5.350  -6.821   0.744
  355   1HB   MET  45          1HB       MET  45   4.834  -7.841   2.928
  356   2HB   MET  45          1HB       MET  45   4.127  -8.758   1.602
  357   1HG   MET  45          1HG       MET  45   6.803  -9.595   2.519
  358   2HG   MET  45          1HG       MET  45   5.458  -9.872   3.623
  359   1HE   MET  45          1HE       MET  45   6.869 -12.563   0.543
  360   2HE   MET  45          2HE       MET  45   7.019 -12.673   2.296
  361   3HE   MET  45          3HE       MET  45   7.637 -11.258   1.446
  362    H    TYR  46           H        TYR  46   6.387  -5.418   2.127
  363    HA   TYR  46           HA       TYR  46   9.211  -5.985   2.565
  364   1HB   TYR  46          1HB       TYR  46   7.583  -3.500   2.143
  365   2HB   TYR  46          1HB       TYR  46   9.194  -3.412   2.796
  366    HD1  TYR  46          1HD       TYR  46  10.866  -2.895   1.245
  367    HD2  TYR  46          2HD       TYR  46   7.510  -5.199   0.003
  368    HE1  TYR  46          1HE       TYR  46  11.791  -3.008  -1.015
  369    HE2  TYR  46          2HE       TYR  46   8.431  -5.308  -2.271
  370    HH   TYR  46           HH       TYR  46  11.447  -3.640  -3.120
  371    H    LYS  47           H        LYS  47   6.358  -4.621   4.179
  372    HA   LYS  47           HA       LYS  47   7.531  -5.432   6.752
  373   1HB   LYS  47          1HB       LYS  47   7.410  -2.856   6.096
  374   2HB   LYS  47          1HB       LYS  47   5.753  -3.052   6.647
  375   1HG   LYS  47          1HG       LYS  47   8.243  -3.593   8.251
  376   2HG   LYS  47          1HG       LYS  47   7.140  -2.231   8.445
  377   1HD   LYS  47          1HD       LYS  47   5.678  -4.694   8.572
  378   2HD   LYS  47          1HD       LYS  47   7.019  -4.742   9.710
  379   1HE   LYS  47          1HE       LYS  47   5.396  -3.769  10.994
  380   2HE   LYS  47          1HE       LYS  47   6.159  -2.335  10.307
  381   1HZ   LYS  47          1HZ       LYS  47   4.062  -1.828   9.750
  382   2HZ   LYS  47          2HZ       LYS  47   3.520  -3.429   9.848
  383   3HZ   LYS  47          3HZ       LYS  47   4.316  -2.889   8.457
  384    H    GLY  48           H        GLY  48   6.235  -6.770   7.836
  385   1HA   GLY  48          2HA       GLY  48   3.770  -6.754   8.713
  386   2HA   GLY  48          1HA       GLY  48   3.443  -7.083   7.015
  387    H    PHE  49           H        PHE  49   6.339  -8.515   7.548
  388    HA   PHE  49           HA       PHE  49   5.471 -11.085   7.265
  389   1HB   PHE  49          1HB       PHE  49   7.987 -10.222   8.684
  390   2HB   PHE  49          1HB       PHE  49   7.660 -11.831   8.050
  391    HD1  PHE  49          1HD       PHE  49   7.988 -12.341   5.765
  392    HD2  PHE  49          2HD       PHE  49   8.204  -8.304   7.096
  393    HE1  PHE  49          1HE       PHE  49   8.896 -11.669   3.577
  394    HE2  PHE  49          2HE       PHE  49   9.109  -7.636   4.913
  395    HZ   PHE  49           HZ       PHE  49   9.456  -9.310   3.151
  396    H    GLN  50           H        GLN  50   6.103  -9.434  10.447
  397    HA   GLN  50           HA       GLN  50   5.579 -11.736  11.938
  398   1HB   GLN  50          1HB       GLN  50   5.330 -10.215  13.852
  399   2HB   GLN  50          1HB       GLN  50   6.759  -9.855  12.897
  400   1HG   GLN  50          1HG       GLN  50   5.857  -7.891  12.058
  401   2HG   GLN  50          1HG       GLN  50   4.204  -8.367  12.454
  402   1HE2  GLN  50          1HE2      GLN  50   3.944  -8.824  14.897
  403   2HE2  GLN  50          2HE2      GLN  50   4.592  -7.615  15.946
  404    H    ALA  51           H        ALA  51   3.459  -9.303  10.577
  405    HA   ALA  51           HA       ALA  51   1.121 -10.302  11.944
  406   1HB   ALA  51          1HB       ALA  51   1.283  -7.949  11.072
  407   2HB   ALA  51          2HB       ALA  51  -0.139  -8.824  10.507
  408   3HB   ALA  51          3HB       ALA  51   1.250  -8.615   9.440
  409    H    LEU  52           H        LEU  52   2.556 -10.449   8.658
  410    HA   LEU  52           HA       LEU  52   1.235 -13.025   8.323
  411   1HB   LEU  52          1HB       LEU  52   0.592 -12.010   6.006
  412   2HB   LEU  52          1HB       LEU  52  -0.352 -11.685   7.437
  413    HG   LEU  52           HG       LEU  52   1.455  -9.632   7.525
  414   1HD1  LEU  52          1HD1      LEU  52   1.224  -8.640   5.204
  415   2HD1  LEU  52          2HD1      LEU  52   0.946 -10.294   4.664
  416   3HD1  LEU  52          3HD1      LEU  52   2.460  -9.862   5.464
  417   1HD2  LEU  52          1HD2      LEU  52  -0.837  -9.305   7.988
  418   2HD2  LEU  52          2HD2      LEU  52  -1.296  -9.723   6.342
  419   3HD2  LEU  52          3HD2      LEU  52  -0.417  -8.234   6.654
  420    H    GLY  53           H        GLY  53   2.175 -11.758   5.432
  421   1HA   GLY  53          2HA       GLY  53   3.869 -12.195   3.984
  422   2HA   GLY  53          1HA       GLY  53   4.910 -12.420   5.383
  423    H    ASP  54           H        ASP  54   2.459 -14.358   6.046
  424    HA   ASP  54           HA       ASP  54   3.329 -16.630   4.462
  425   1HB   ASP  54          1HB       ASP  54   4.301 -16.664   6.814
  426   2HB   ASP  54          1HB       ASP  54   2.649 -16.885   7.384
  427    H    ALA  55           H        ALA  55   0.772 -15.209   6.474
  428    HA   ALA  55           HA       ALA  55  -1.168 -16.920   5.052
  429   1HB   ALA  55          1HB       ALA  55  -2.553 -16.936   7.015
  430   2HB   ALA  55          2HB       ALA  55  -1.462 -15.821   7.838
  431   3HB   ALA  55          3HB       ALA  55  -0.924 -17.454   7.448
  432    H    ALA  56           H        ALA  56  -0.510 -13.638   6.162
  433    HA   ALA  56           HA       ALA  56  -2.966 -12.769   4.730
  434   1HB   ALA  56          1HB       ALA  56  -2.929 -10.727   6.175
  435   2HB   ALA  56          2HB       ALA  56  -1.735 -11.541   7.177
  436   3HB   ALA  56          3HB       ALA  56  -3.340 -12.231   6.996
  437    H    ASP  57           H        ASP  57  -0.937 -13.271   3.271
  438    HA   ASP  57           HA       ASP  57   0.728 -11.145   2.630
  439   1HB   ASP  57          1HB       ASP  57   0.754 -13.596   1.852
  440   2HB   ASP  57          1HB       ASP  57  -0.503 -13.128   0.706
  441    H    ILE  58           H        ILE  58   0.176  -9.343   1.719
  442    HA   ILE  58           HA       ILE  58  -2.562  -8.636   1.665
  443    HB   ILE  58           HB       ILE  58  -0.259  -6.900   0.851
  444   1HG1  ILE  58          1HG1      ILE  58  -0.616  -6.189   3.337
  445   2HG1  ILE  58          1HG1      ILE  58  -1.353  -7.792   3.503
  446   1HG2  ILE  58          1HG2      ILE  58  -3.030  -6.291   1.875
  447   2HG2  ILE  58          2HG2      ILE  58  -2.429  -5.999   0.243
  448   3HG2  ILE  58          3HG2      ILE  58  -1.760  -5.104   1.603
  449   1HD1  ILE  58          1HD1      ILE  58   1.261  -7.263   3.872
  450   2HD1  ILE  58          2HD1      ILE  58   1.260  -7.742   2.176
  451   3HD1  ILE  58          3HD1      ILE  58   0.605  -8.833   3.400
  452    H    ARG  59           H        ARG  59  -3.600  -9.587   0.179
  453    HA   ARG  59           HA       ARG  59  -2.881  -9.232  -2.602
  454   1HB   ARG  59          1HB       ARG  59  -4.922 -10.961  -1.190
  455   2HB   ARG  59          1HB       ARG  59  -4.480 -11.080  -2.900
  456   1HG   ARG  59          1HG       ARG  59  -2.280 -11.752  -2.339
  457   2HG   ARG  59          1HG       ARG  59  -2.521 -11.371  -0.647
  458   1HD   ARG  59          1HD       ARG  59  -2.621 -13.775  -1.018
  459   2HD   ARG  59          1HD       ARG  59  -4.163 -13.146  -0.450
  460    HE   ARG  59           HE       ARG  59  -3.623 -13.812  -3.272
  461   1HH1  ARG  59          1HH1      ARG  59  -5.752 -13.746  -0.495
  462   2HH1  ARG  59          2HH1      ARG  59  -7.054 -14.523  -1.327
  463   1HH2  ARG  59          1HH2      ARG  59  -5.339 -14.837  -4.351
  464   2HH2  ARG  59          2HH2      ARG  59  -6.822 -15.142  -3.510
  465    H    PHE  60           H        PHE  60  -5.168  -8.012  -0.361
  466    HA   PHE  60           HA       PHE  60  -6.513  -6.464  -2.415
  467   1HB   PHE  60          1HB       PHE  60  -7.788  -8.131  -0.238
  468   2HB   PHE  60          1HB       PHE  60  -8.637  -6.832  -1.062
  469    HD1  PHE  60          1HD       PHE  60  -9.711  -7.209  -3.091
  470    HD2  PHE  60          2HD       PHE  60  -6.944 -10.085  -1.614
  471    HE1  PHE  60          1HE       PHE  60 -10.423  -8.784  -4.840
  472    HE2  PHE  60          2HE       PHE  60  -7.649 -11.666  -3.364
  473    HZ   PHE  60           HZ       PHE  60  -9.392 -11.017  -4.978
  474    H    VAL  61           H        VAL  61  -7.043  -4.545  -1.887
  475    HA   VAL  61           HA       VAL  61  -6.023  -3.536   0.674
  476    HB   VAL  61           HB       VAL  61  -5.210  -1.706  -0.435
  477   1HG1  VAL  61          1HG1      VAL  61  -3.975  -3.624  -1.130
  478   2HG1  VAL  61          2HG1      VAL  61  -4.065  -2.462  -2.455
  479   3HG1  VAL  61          3HG1      VAL  61  -5.102  -3.887  -2.460
  480   1HG2  VAL  61          1HG2      VAL  61  -7.403  -2.146  -2.365
  481   2HG2  VAL  61          2HG2      VAL  61  -5.952  -1.334  -2.948
  482   3HG2  VAL  61          3HG2      VAL  61  -6.868  -0.651  -1.611
  483    H    TYR  62           H        TYR  62  -7.483  -2.792   2.054
  484    HA   TYR  62           HA       TYR  62 -10.112  -2.018   1.155
  485   1HB   TYR  62          1HB       TYR  62  -9.075  -2.458   3.950
  486   2HB   TYR  62          1HB       TYR  62 -10.759  -2.231   3.495
  487    HD1  TYR  62          1HD       TYR  62 -11.893  -4.182   3.890
  488    HD2  TYR  62          2HD       TYR  62  -8.054  -4.440   2.052
  489    HE1  TYR  62          1HE       TYR  62 -12.166  -6.610   3.645
  490    HE2  TYR  62          2HE       TYR  62  -8.318  -6.853   1.818
  491    HH   TYR  62           HH       TYR  62 -10.951  -8.580   3.294
  492    H    THR  63           H        THR  63 -10.267  -0.029   0.567
  493    HA   THR  63           HA       THR  63  -9.203   2.187   2.215
  494    HB   THR  63           HB       THR  63  -8.425   2.885   0.181
  495    HG1  THR  63          1HG       THR  63 -11.116   3.327  -0.537
  496   1HG2  THR  63          1HG2      THR  63  -9.197   0.622  -0.827
  497   2HG2  THR  63          2HG2      THR  63  -8.925   1.996  -1.897
  498   3HG2  THR  63          3HG2      THR  63 -10.569   1.564  -1.419
  499    HA   PRO  64           HA       PRO  64 -13.393   3.127   3.498
  500   1HB   PRO  64          1HB       PRO  64 -12.471   5.957   3.390
  501   2HB   PRO  64          1HB       PRO  64 -13.212   5.063   4.721
  502   1HG   PRO  64          1HG       PRO  64 -10.594   5.665   4.698
  503   2HG   PRO  64          1HG       PRO  64 -11.207   4.162   5.410
  504   1HD   PRO  64          1HD       PRO  64  -9.777   4.600   2.848
  505   2HD   PRO  64          1HD       PRO  64  -9.755   3.195   3.924
  506    H    ALA  65           H        ALA  65 -15.169   3.535   2.351
  507    HA   ALA  65           HA       ALA  65 -14.998   4.635  -0.274
  508   1HB   ALA  65          1HB       ALA  65 -16.020   2.647  -0.553
  509   2HB   ALA  65          2HB       ALA  65 -17.446   3.627  -0.260
  510   3HB   ALA  65          3HB       ALA  65 -16.745   2.674   1.048
  511    H    MET  66           H        MET  66 -15.008   6.924   0.479
  512    HA   MET  66           HA       MET  66 -17.768   7.819   0.725
  513   1HB   MET  66          1HB       MET  66 -16.276   7.707   3.004
  514   2HB   MET  66          1HB       MET  66 -15.958   9.350   2.465
  515   1HG   MET  66          1HG       MET  66 -18.541   9.474   2.195
  516   2HG   MET  66          1HG       MET  66 -18.532   8.099   3.298
  517   1HE   MET  66          1HE       MET  66 -17.027   8.016   5.221
  518   2HE   MET  66          2HE       MET  66 -18.186   8.777   6.311
  519   3HE   MET  66          3HE       MET  66 -16.525   9.365   6.238
  520    H    GLU  67           H        GLU  67 -17.837   8.772  -1.206
  521    HA   GLU  67           HA       GLU  67 -16.989   9.954  -3.054
  522   1HB   GLU  67          1HB       GLU  67 -17.929  11.708  -0.837
  523   2HB   GLU  67          1HB       GLU  67 -17.304  12.461  -2.297
  524   1HG   GLU  67          1HG       GLU  67 -19.476  10.386  -2.321
  525   2HG   GLU  67          1HG       GLU  67 -19.792  12.117  -2.204
  526    H    SER  68           H        SER  68 -15.807  12.389  -0.832
  527    HA   SER  68           HA       SER  68 -13.148  12.123  -2.049
  528   1HB   SER  68          1HB       SER  68 -12.787  14.452  -1.244
  529   2HB   SER  68          1HB       SER  68 -14.158  14.313  -2.344
  530    HG   SER  68           HG       SER  68 -15.474  14.175  -0.386
  531    H    VAL  69           H        VAL  69 -13.306  10.209  -0.364
  532    HA   VAL  69           HA       VAL  69 -12.433  11.047   2.302
  533    HB   VAL  69           HB       VAL  69 -14.169   9.212   1.822
  534   1HG1  VAL  69          1HG1      VAL  69 -11.690   7.822   0.960
  535   2HG1  VAL  69          2HG1      VAL  69 -13.294   7.821   0.231
  536   3HG1  VAL  69          3HG1      VAL  69 -12.999   6.921   1.718
  537   1HG2  VAL  69          1HG2      VAL  69 -13.865   8.451   3.906
  538   2HG2  VAL  69          2HG2      VAL  69 -12.589   9.669   3.956
  539   3HG2  VAL  69          3HG2      VAL  69 -12.194   7.987   3.595
  540    H    CYS  70           H        CYS  70 -10.766   9.334   3.206
  541    HA   CYS  70           HA       CYS  70  -8.476   9.394   1.391
  542   1HB   CYS  70          1HB       CYS  70  -7.307   8.512   3.584
  543   2HB   CYS  70          1HB       CYS  70  -7.651  10.223   3.410
  544    H    GLY  71           H        GLY  71  -9.449   7.904   0.153
  545   1HA   GLY  71          2HA       GLY  71  -9.475   5.172   1.195
  546   2HA   GLY  71          1HA       GLY  71 -10.321   5.715  -0.250
  547    H    TYR  72           H        TYR  72  -9.331   5.608  -2.131
  548    HA   TYR  72           HA       TYR  72  -6.533   5.765  -2.439
  549   1HB   TYR  72          1HB       TYR  72  -6.867   3.478  -1.427
  550   2HB   TYR  72          1HB       TYR  72  -7.584   3.015  -2.970
  551    HD1  TYR  72          1HD       TYR  72  -4.521   4.322  -1.387
  552    HD2  TYR  72          2HD       TYR  72  -6.222   2.505  -4.829
  553    HE1  TYR  72          1HE       TYR  72  -2.277   3.960  -2.286
  554    HE2  TYR  72          2HE       TYR  72  -3.977   2.125  -5.750
  555    HH   TYR  72           HH       TYR  72  -1.346   2.020  -4.200
  556    H    PHE  73           H        PHE  73  -7.320   7.320  -4.021
  557    HA   PHE  73           HA       PHE  73  -8.804   6.387  -6.236
  558   1HB   PHE  73          1HB       PHE  73  -7.455   8.897  -5.510
  559   2HB   PHE  73          1HB       PHE  73  -7.537   8.575  -7.240
  560    HD1  PHE  73          1HD       PHE  73  -9.794   8.324  -4.265
  561    HD2  PHE  73          2HD       PHE  73  -9.337   9.445  -8.346
  562    HE1  PHE  73          1HE       PHE  73 -12.132   9.091  -4.314
  563    HE2  PHE  73          2HE       PHE  73 -11.672  10.217  -8.401
  564    HZ   PHE  73           HZ       PHE  73 -13.074  10.039  -6.384
  565    H    HIS  74           H        HIS  74  -8.067   4.736  -7.232
  566    HA   HIS  74           HA       HIS  74  -5.274   4.721  -8.107
  567   1HB   HIS  74          1HB       HIS  74  -5.665   2.733  -7.020
  568   2HB   HIS  74          1HB       HIS  74  -7.299   2.583  -7.637
  569    HD1  HIS  74          1HD       HIS  74  -7.399   0.582  -9.113
  570    HD2  HIS  74          2HD       HIS  74  -3.796   2.613  -9.510
  571    HE1  HIS  74          1HE       HIS  74  -6.103  -0.680 -10.862
  572    HE2  HIS  74          2HE       HIS  74  -3.885   0.508 -11.007
  573    H    ARG  75           H        ARG  75  -4.878   5.589  -9.954
  574    HA   ARG  75           HA       ARG  75  -6.604   4.960 -12.254
  575   1HB   ARG  75          1HB       ARG  75  -5.226   7.568 -12.343
  576   2HB   ARG  75          1HB       ARG  75  -6.843   7.131 -12.872
  577   1HG   ARG  75          1HG       ARG  75  -7.787   7.618 -10.847
  578   2HG   ARG  75          1HG       ARG  75  -6.306   7.283  -9.947
  579   1HD   ARG  75          1HD       ARG  75  -5.596   9.405 -11.546
  580   2HD   ARG  75          1HD       ARG  75  -7.266   9.774 -11.114
  581    HE   ARG  75           HE       ARG  75  -6.157   9.112  -8.741
  582   1HH1  ARG  75          1HH1      ARG  75  -5.235  11.351 -11.254
  583   2HH1  ARG  75          2HH1      ARG  75  -4.455  12.448 -10.164
  584   1HH2  ARG  75          1HH2      ARG  75  -5.131  10.557  -7.305
  585   2HH2  ARG  75          2HH2      ARG  75  -4.395  11.997  -7.924
  586    H    SER  76           H        SER  76  -4.556   3.332 -11.923
  587    HA   SER  76           HA       SER  76  -2.363   4.388 -13.575
  588   1HB   SER  76          1HB       SER  76  -2.315   1.893 -11.846
  589   2HB   SER  76          1HB       SER  76  -0.943   2.656 -12.647
  590    HG   SER  76           HG       SER  76  -0.747   3.791 -10.907
  591    H    HIS  77           H        HIS  77  -2.710   3.959 -15.662
  592    HA   HIS  77           HA       HIS  77  -4.364   1.983 -16.731
  593   1HB   HIS  77          1HB       HIS  77  -2.201   2.457 -18.568
  594   2HB   HIS  77          1HB       HIS  77  -3.865   3.009 -18.664
  595    HD1  HIS  77          1HD       HIS  77  -4.324   5.453 -18.114
  596    HD2  HIS  77          2HD       HIS  77  -0.374   4.337 -17.467
  597    HE1  HIS  77          1HE       HIS  77  -3.070   7.601 -17.743
  598    HE2  HIS  77          2HE       HIS  77  -0.693   6.899 -17.295
  599    H    ASN  78           H        ASN  78  -0.867   1.994 -16.458
  600    HA   ASN  78           HA       ASN  78  -0.461  -0.636 -17.390
  601   1HB   ASN  78          1HB       ASN  78   1.222   1.316 -17.138
  602   2HB   ASN  78          1HB       ASN  78   1.436   0.716 -15.498
  603   1HD2  ASN  78          1HD2      ASN  78   1.168  -0.671 -18.755
  604   2HD2  ASN  78          2HD2      ASN  78   2.538  -1.713 -18.608
  605    H    ARG  79           H        ARG  79  -1.389  -2.371 -16.409
  606    HA   ARG  79           HA       ARG  79  -1.614  -2.527 -13.538
  607   1HB   ARG  79          1HB       ARG  79  -2.591  -4.817 -14.069
  608   2HB   ARG  79          1HB       ARG  79  -3.471  -3.420 -14.667
  609   1HG   ARG  79          1HG       ARG  79  -1.673  -4.168 -16.702
  610   2HG   ARG  79          1HG       ARG  79  -2.424  -5.649 -16.109
  611   1HD   ARG  79          1HD       ARG  79  -4.217  -3.339 -16.545
  612   2HD   ARG  79          1HD       ARG  79  -3.534  -4.083 -17.987
  613    HE   ARG  79           HE       ARG  79  -5.277  -5.402 -16.022
  614   1HH1  ARG  79          1HH1      ARG  79  -3.716  -5.389 -19.153
  615   2HH1  ARG  79          2HH1      ARG  79  -4.616  -6.745 -19.739
  616   1HH2  ARG  79          1HH2      ARG  79  -6.450  -7.185 -16.801
  617   2HH2  ARG  79          2HH2      ARG  79  -6.164  -7.764 -18.407
  618    H    SER  80           H        SER  80   0.686  -3.351 -15.842
  619    HA   SER  80           HA       SER  80   1.947  -5.441 -14.222
  620   1HB   SER  80          1HB       SER  80   2.599  -4.274 -16.942
  621   2HB   SER  80          1HB       SER  80   3.625  -5.459 -16.133
  622    HG   SER  80           HG       SER  80   2.082  -6.363 -17.633
  623    H    GLU  81           H        GLU  81   1.760  -2.163 -14.094
  624    HA   GLU  81           HA       GLU  81   4.597  -1.713 -13.686
  625   1HB   GLU  81          1HB       GLU  81   2.759   0.045 -14.437
  626   2HB   GLU  81          1HB       GLU  81   2.605   0.271 -12.700
  627   1HG   GLU  81          1HG       GLU  81   4.173   1.866 -13.331
  628   2HG   GLU  81          1HG       GLU  81   5.149   0.539 -12.702
  629    H    GLU  82           H        GLU  82   5.648  -1.964 -11.845
  630    HA   GLU  82           HA       GLU  82   4.439  -3.131  -9.576
  631   1HB   GLU  82          1HB       GLU  82   7.207  -1.987  -9.994
  632   2HB   GLU  82          1HB       GLU  82   6.704  -2.832  -8.536
  633   1HG   GLU  82          1HG       GLU  82   6.668  -4.871  -9.556
  634   2HG   GLU  82          1HG       GLU  82   6.310  -4.192 -11.142
  635    H    PHE  83           H        PHE  83   4.919  -2.105  -7.295
  636    HA   PHE  83           HA       PHE  83   4.777   0.740  -7.235
  637   1HB   PHE  83          1HB       PHE  83   2.295  -0.851  -7.037
  638   2HB   PHE  83          1HB       PHE  83   2.501   0.395  -5.819
  639    HD1  PHE  83          1HD       PHE  83   1.559  -0.287  -9.235
  640    HD2  PHE  83          2HD       PHE  83   2.925   2.743  -6.570
  641    HE1  PHE  83          1HE       PHE  83   0.772   1.438 -10.792
  642    HE2  PHE  83          2HE       PHE  83   2.132   4.466  -8.126
  643    HZ   PHE  83           HZ       PHE  83   1.057   3.820 -10.239
  644    H    LEU  84           H        LEU  84   4.124   1.438  -5.001
  645    HA   LEU  84           HA       LEU  84   5.337  -0.313  -2.952
  646   1HB   LEU  84          1HB       LEU  84   6.881   1.551  -3.701
  647   2HB   LEU  84          1HB       LEU  84   5.722   2.687  -3.042
  648    HG   LEU  84           HG       LEU  84   7.742   2.122  -1.602
  649   1HD1  LEU  84          1HD1      LEU  84   6.537   2.922   0.082
  650   2HD1  LEU  84          2HD1      LEU  84   5.534   1.474   0.150
  651   3HD1  LEU  84          3HD1      LEU  84   5.127   2.777  -0.967
  652   1HD2  LEU  84          1HD2      LEU  84   7.618  -0.338  -2.023
  653   2HD2  LEU  84          2HD2      LEU  84   6.166  -0.373  -1.029
  654   3HD2  LEU  84          3HD2      LEU  84   7.702   0.106  -0.318
  655    H    ILE  85           H        ILE  85   3.932  -0.701  -1.334
  656    HA   ILE  85           HA       ILE  85   1.799   1.301  -0.941
  657    HB   ILE  85           HB       ILE  85   1.605  -1.708  -0.839
  658   1HG1  ILE  85          1HG1      ILE  85  -0.221  -0.073  -2.487
  659   2HG1  ILE  85          1HG1      ILE  85   1.465  -0.080  -2.993
  660   1HG2  ILE  85          1HG2      ILE  85  -0.964  -0.710  -0.629
  661   2HG2  ILE  85          2HG2      ILE  85  -0.032   0.314   0.463
  662   3HG2  ILE  85          3HG2      ILE  85  -0.020  -1.437   0.672
  663   1HD1  ILE  85          1HD1      ILE  85  -0.071  -2.602  -2.468
  664   2HD1  ILE  85          2HD1      ILE  85   1.460  -2.406  -3.320
  665   3HD1  ILE  85          3HD1      ILE  85  -0.034  -1.811  -4.045
  666    H    ALA  86           H        ALA  86   2.104   2.293   0.827
  667    HA   ALA  86           HA       ALA  86   3.006   0.933   3.317
  668   1HB   ALA  86          1HB       ALA  86   3.510   3.044   4.284
  669   2HB   ALA  86          2HB       ALA  86   2.630   3.916   3.031
  670   3HB   ALA  86          3HB       ALA  86   4.157   3.125   2.645
  671    H    GLY  87           H        GLY  87   1.292   0.120   4.356
  672   1HA   GLY  87          2HA       GLY  87  -0.988   1.776   5.003
  673   2HA   GLY  87          1HA       GLY  87  -1.371   0.441   3.927
  674    H    LYS  88           H        LYS  88  -1.951   1.134   6.863
  675    HA   LYS  88           HA       LYS  88  -0.818  -0.944   8.434
  676   1HB   LYS  88          1HB       LYS  88  -2.464   1.392   8.866
  677   2HB   LYS  88          1HB       LYS  88  -3.097   0.018   9.758
  678   1HG   LYS  88          1HG       LYS  88  -1.120  -0.213  11.000
  679   2HG   LYS  88          1HG       LYS  88  -0.215   0.807   9.892
  680   1HD   LYS  88          1HD       LYS  88  -0.540   2.194  11.681
  681   2HD   LYS  88          1HD       LYS  88  -1.870   2.646  10.610
  682   1HE   LYS  88          1HE       LYS  88  -2.379   0.474  12.556
  683   2HE   LYS  88          1HE       LYS  88  -2.210   2.102  13.208
  684   1HZ   LYS  88          1HZ       LYS  88  -4.195   1.124  11.242
  685   2HZ   LYS  88          2HZ       LYS  88  -3.907   2.773  11.488
  686   3HZ   LYS  88          3HZ       LYS  88  -4.481   1.815  12.760
  687    H    LEU  89           H        LEU  89  -2.528  -2.263   9.840
  688    HA   LEU  89           HA       LEU  89  -4.264  -3.706   7.954
  689   1HB   LEU  89          1HB       LEU  89  -2.532  -4.560  10.204
  690   2HB   LEU  89          1HB       LEU  89  -4.066  -5.389  10.059
  691    HG   LEU  89           HG       LEU  89  -1.961  -5.253   7.900
  692   1HD1  LEU  89          1HD1      LEU  89  -1.237  -7.337   8.538
  693   2HD1  LEU  89          2HD1      LEU  89  -2.770  -7.748   9.311
  694   3HD1  LEU  89          3HD1      LEU  89  -1.641  -6.654  10.113
  695   1HD2  LEU  89          1HD2      LEU  89  -3.382  -6.425   6.550
  696   2HD2  LEU  89          2HD2      LEU  89  -4.568  -5.531   7.487
  697   3HD2  LEU  89          3HD2      LEU  89  -4.200  -7.195   7.907
  698    H    GLN  90           H        GLN  90  -6.407  -4.258   8.598
  699    HA   GLN  90           HA       GLN  90  -7.318  -3.166  11.157
  700   1HB   GLN  90          1HB       GLN  90  -8.032  -2.236   8.564
  701   2HB   GLN  90          1HB       GLN  90  -9.434  -3.051   9.238
  702   1HG   GLN  90          1HG       GLN  90  -9.528  -0.714   9.769
  703   2HG   GLN  90          1HG       GLN  90  -9.246  -1.637  11.245
  704   1HE2  GLN  90          1HE2      GLN  90  -7.615   0.229   8.734
  705   2HE2  GLN  90          2HE2      GLN  90  -6.333   0.804   9.740
  706    H    ASP  91           H        ASP  91  -7.883  -4.858  12.293
  707    HA   ASP  91           HA       ASP  91  -8.479  -7.007  12.823
  708   1HB   ASP  91          1HB       ASP  91 -10.711  -5.654  11.436
  709   2HB   ASP  91          1HB       ASP  91 -10.898  -7.384  11.711
  710    H    GLY  92           H        GLY  92  -6.765  -7.017  10.471
  711   1HA   GLY  92          2HA       GLY  92  -6.121  -9.198   9.589
  712   2HA   GLY  92          1HA       GLY  92  -7.814  -9.520   9.314
  713    H    LEU  93           H        LEU  93  -7.492  -6.434   8.224
  714    HA   LEU  93           HA       LEU  93  -6.700  -7.356   5.533
  715   1HB   LEU  93          1HB       LEU  93  -8.877  -5.352   6.074
  716   2HB   LEU  93          1HB       LEU  93  -8.448  -6.071   4.539
  717    HG   LEU  93           HG       LEU  93 -10.467  -7.088   5.237
  718   1HD1  LEU  93          1HD1      LEU  93  -8.838  -8.623   4.271
  719   2HD1  LEU  93          2HD1      LEU  93  -9.878  -9.429   5.446
  720   3HD1  LEU  93          3HD1      LEU  93  -8.231  -8.989   5.883
  721   1HD2  LEU  93          1HD2      LEU  93  -9.874  -6.442   7.726
  722   2HD2  LEU  93          2HD2      LEU  93  -9.383  -8.135   7.785
  723   3HD2  LEU  93          3HD2      LEU  93 -11.036  -7.709   7.340
  724    H    LEU  94           H        LEU  94  -5.869  -5.786   4.069
  725    HA   LEU  94           HA       LEU  94  -4.211  -3.832   5.332
  726   1HB   LEU  94          1HB       LEU  94  -3.333  -4.931   3.377
  727   2HB   LEU  94          1HB       LEU  94  -4.704  -4.407   2.413
  728    HG   LEU  94           HG       LEU  94  -3.951  -2.026   2.816
  729   1HD1  LEU  94          1HD1      LEU  94  -2.479  -2.832   4.790
  730   2HD1  LEU  94          2HD1      LEU  94  -1.917  -1.516   3.762
  731   3HD1  LEU  94          3HD1      LEU  94  -1.281  -3.146   3.534
  732   1HD2  LEU  94          1HD2      LEU  94  -3.320  -3.685   0.829
  733   2HD2  LEU  94          2HD2      LEU  94  -1.701  -3.349   1.441
  734   3HD2  LEU  94          3HD2      LEU  94  -2.735  -2.024   0.916
  735    H    HIS  95           H        HIS  95  -4.179  -1.583   4.796
  736    HA   HIS  95           HA       HIS  95  -6.656  -0.500   3.756
  737   1HB   HIS  95          1HB       HIS  95  -5.703   0.000   6.555
  738   2HB   HIS  95          1HB       HIS  95  -6.639   1.214   5.687
  739    HD1  HIS  95          1HD       HIS  95  -9.024   1.086   6.263
  740    HD2  HIS  95          2HD       HIS  95  -7.236  -2.660   6.284
  741    HE1  HIS  95          1HE       HIS  95 -10.858  -0.531   6.847
  742    HE2  HIS  95          2HE       HIS  95  -9.714  -2.769   7.001
  743    H    ILE  96           H        ILE  96  -6.443   1.456   2.806
  744    HA   ILE  96           HA       ILE  96  -3.778   2.696   2.895
  745    HB   ILE  96           HB       ILE  96  -3.751   3.001   0.468
  746   1HG1  ILE  96          1HG1      ILE  96  -6.277   2.786   0.249
  747   2HG1  ILE  96          1HG1      ILE  96  -5.317   2.006  -1.000
  748   1HG2  ILE  96          1HG2      ILE  96  -2.448   1.205   1.204
  749   2HG2  ILE  96          2HG2      ILE  96  -3.394   0.553  -0.135
  750   3HG2  ILE  96          3HG2      ILE  96  -3.860   0.199   1.529
  751   1HD1  ILE  96          1HD1      ILE  96  -7.251   0.682  -0.208
  752   2HD1  ILE  96          2HD1      ILE  96  -6.478   0.565   1.366
  753   3HD1  ILE  96          3HD1      ILE  96  -5.701  -0.135  -0.045
  754    H    THR  97           H        THR  97  -3.730   4.894   2.298
  755    HA   THR  97           HA       THR  97  -6.302   6.170   1.877
  756    HB   THR  97           HB       THR  97  -5.645   7.826   3.737
  757    HG1  THR  97          1HG       THR  97  -4.027   7.329   4.972
  758   1HG2  THR  97          1HG2      THR  97  -7.209   6.842   4.952
  759   2HG2  THR  97          2HG2      THR  97  -6.143   5.480   5.300
  760   3HG2  THR  97          3HG2      THR  97  -7.140   5.470   3.846
  761    H    THR  98           H        THR  98  -6.243   8.138   0.987
  762    HA   THR  98           HA       THR  98  -4.225   8.779  -0.799
  763    HB   THR  98           HB       THR  98  -5.440  11.007  -0.889
  764    HG1  THR  98          1HG       THR  98  -7.116  11.300   0.462
  765   1HG2  THR  98          1HG2      THR  98  -7.748   9.516  -1.152
  766   2HG2  THR  98          2HG2      THR  98  -6.449   8.361  -1.455
  767   3HG2  THR  98          3HG2      THR  98  -6.557   9.840  -2.411
  768    H    CYS  99           H        CYS  99  -4.293   9.256   2.516
  769    HA   CYS  99           HA       CYS  99  -2.073  11.188   2.334
  770   1HB   CYS  99          1HB       CYS  99  -3.975  12.162   3.566
  771   2HB   CYS  99          1HB       CYS  99  -3.868  10.872   4.743
  772    H    SER 100           H        SER 100  -2.060   8.317   2.068
  773    HA   SER 100           HA       SER 100  -0.258   7.630   4.301
  774   1HB   SER 100          1HB       SER 100  -2.467   6.151   3.157
  775   2HB   SER 100          1HB       SER 100  -0.965   5.251   2.958
  776    HG   SER 100           HG       SER 100  -1.794   6.384   5.420
  777    H    PHE 101           H        PHE 101   1.757   6.571   3.662
  778    HA   PHE 101           HA       PHE 101   2.752   7.595   1.241
  779   1HB   PHE 101          1HB       PHE 101   4.146   7.034   3.240
  780   2HB   PHE 101          1HB       PHE 101   4.045   5.344   2.745
  781    HD1  PHE 101          1HD       PHE 101   4.845   4.771   0.379
  782    HD2  PHE 101          2HD       PHE 101   5.749   8.436   2.331
  783    HE1  PHE 101          1HE       PHE 101   6.708   5.143  -1.185
  784    HE2  PHE 101          2HE       PHE 101   7.611   8.817   0.775
  785    HZ   PHE 101           HZ       PHE 101   8.095   7.169  -0.988
  786    H    VAL 102           H        VAL 102   1.916   6.928  -0.681
  787    HA   VAL 102           HA       VAL 102   2.242   4.109  -1.352
  788    HB   VAL 102           HB       VAL 102  -0.364   5.377  -2.106
  789   1HG1  VAL 102          1HG1      VAL 102  -0.507   3.470  -3.210
  790   2HG1  VAL 102          2HG1      VAL 102  -0.625   2.639  -1.662
  791   3HG1  VAL 102          3HG1      VAL 102   0.944   2.837  -2.442
  792   1HG2  VAL 102          1HG2      VAL 102  -1.024   3.674  -0.046
  793   2HG2  VAL 102          2HG2      VAL 102  -1.019   5.434   0.031
  794   3HG2  VAL 102          3HG2      VAL 102   0.383   4.524   0.581
  795    H    ALA 103           H        ALA 103   3.608   4.302  -3.032
  796    HA   ALA 103           HA       ALA 103   2.657   5.543  -5.457
  797   1HB   ALA 103          1HB       ALA 103   4.261   7.230  -5.730
  798   2HB   ALA 103          2HB       ALA 103   5.244   6.634  -4.392
  799   3HB   ALA 103          3HB       ALA 103   3.693   7.409  -4.073
  800    HA   PRO 104           HA       PRO 104   5.138   2.683  -7.735
  801   1HB   PRO 104          1HB       PRO 104   6.749   4.918  -8.846
  802   2HB   PRO 104          1HB       PRO 104   5.938   3.593  -9.686
  803   1HG   PRO 104          1HG       PRO 104   4.861   6.023  -9.706
  804   2HG   PRO 104          1HG       PRO 104   3.819   4.609  -9.456
  805   1HD   PRO 104          1HD       PRO 104   4.853   6.581  -7.447
  806   2HD   PRO 104          1HD       PRO 104   3.248   5.833  -7.556
  807    H    TRP 105           H        TRP 105   6.617   1.417  -6.860
  808    HA   TRP 105           HA       TRP 105   8.732   2.081  -5.196
  809   1HB   TRP 105          1HB       TRP 105   7.984  -0.238  -5.868
  810   2HB   TRP 105          1HB       TRP 105   8.752   0.008  -7.410
  811    HD1  TRP 105           HD       TRP 105  11.122  -0.866  -7.591
  812    HE1  TRP 105          1HE       TRP 105  12.948  -1.577  -5.933
  813    HE3  TRP 105          3HE       TRP 105   8.824   0.491  -3.234
  814    HZ2  TRP 105          2HZ       TRP 105  13.351  -1.575  -3.127
  815    HZ3  TRP 105          3HZ       TRP 105  10.012   0.103  -1.100
  816    HH2  TRP 105           HH       TRP 105  12.224  -0.899  -1.084
  817    H    ASN 106           H        ASN 106   8.538   1.599  -8.589
  818    HA   ASN 106           HA       ASN 106  10.972   2.144  -9.427
  819   1HB   ASN 106          1HB       ASN 106   8.359   2.408 -10.711
  820   2HB   ASN 106          1HB       ASN 106   9.683   3.248 -11.513
  821   1HD2  ASN 106          1HD2      ASN 106   8.921   0.104 -10.057
  822   2HD2  ASN 106          2HD2      ASN 106   9.763  -0.838 -11.235
  823    H    SER 107           H        SER 107   9.007   4.473  -7.959
  824    HA   SER 107           HA       SER 107  10.564   6.664  -9.068
  825   1HB   SER 107          1HB       SER 107   7.867   6.433  -8.160
  826   2HB   SER 107          1HB       SER 107   8.686   7.642  -7.174
  827    HG   SER 107           HG       SER 107   9.391   8.097  -9.675
  828    H    LEU 108           H        LEU 108  10.542   4.662  -6.463
  829    HA   LEU 108           HA       LEU 108  11.475   6.360  -4.411
  830   1HB   LEU 108          1HB       LEU 108  11.123   3.524  -4.889
  831   2HB   LEU 108          1HB       LEU 108  12.377   3.891  -3.728
  832    HG   LEU 108           HG       LEU 108  10.768   5.105  -2.350
  833   1HD1  LEU 108          1HD1      LEU 108   9.015   6.021  -3.323
  834   2HD1  LEU 108          2HD1      LEU 108   8.285   4.417  -3.354
  835   3HD1  LEU 108          3HD1      LEU 108   9.185   5.004  -4.754
  836   1HD2  LEU 108          1HD2      LEU 108   9.531   2.468  -3.071
  837   2HD2  LEU 108          2HD2      LEU 108   9.575   3.266  -1.501
  838   3HD2  LEU 108          3HD2      LEU 108  11.053   2.597  -2.192
  839    H    SER 109           H        SER 109  13.480   5.980  -3.276
  840    HA   SER 109           HA       SER 109  15.774   6.403  -5.028
  841   1HB   SER 109          1HB       SER 109  16.101   6.273  -2.079
  842   2HB   SER 109          1HB       SER 109  16.787   7.400  -3.237
  843    HG   SER 109           HG       SER 109  15.183   8.711  -2.879
  844    H    LEU 110           H        LEU 110  16.784   4.782  -5.765
  845    HA   LEU 110           HA       LEU 110  16.779   2.176  -5.276
  846   1HB   LEU 110          1HB       LEU 110  19.316   2.268  -5.752
  847   2HB   LEU 110          1HB       LEU 110  18.174   2.806  -6.928
  848    HG   LEU 110           HG       LEU 110  20.402   4.171  -6.098
  849   1HD1  LEU 110          1HD1      LEU 110  19.828   4.725  -8.186
  850   2HD1  LEU 110          2HD1      LEU 110  19.050   6.085  -7.379
  851   3HD1  LEU 110          3HD1      LEU 110  18.100   4.670  -7.836
  852   1HD2  LEU 110          1HD2      LEU 110  18.009   5.366  -4.809
  853   2HD2  LEU 110          2HD2      LEU 110  19.356   6.356  -5.340
  854   3HD2  LEU 110          3HD2      LEU 110  19.614   5.094  -4.139
  855    H    ALA 111           H        ALA 111  18.204   4.501  -3.144
  856    HA   ALA 111           HA       ALA 111  19.446   2.528  -1.466
  857   1HB   ALA 111          1HB       ALA 111  20.534   4.280  -0.517
  858   2HB   ALA 111          2HB       ALA 111  19.072   5.275  -0.486
  859   3HB   ALA 111          3HB       ALA 111  20.000   5.109  -1.985
  860    H    GLN 112           H        GLN 112  16.650   4.604  -1.586
  861    HA   GLN 112           HA       GLN 112  15.624   3.596   0.902
  862   1HB   GLN 112          1HB       GLN 112  15.307   5.954   0.366
  863   2HB   GLN 112          1HB       GLN 112  14.546   5.524  -1.161
  864   1HG   GLN 112          1HG       GLN 112  12.650   4.642  -0.067
  865   2HG   GLN 112          1HG       GLN 112  13.436   4.748   1.511
  866   1HE2  GLN 112          1HE2      GLN 112  11.081   6.078  -0.161
  867   2HE2  GLN 112          2HE2      GLN 112  11.177   7.722   0.357
  868    H    ARG 113           H        ARG 113  15.951   2.508  -2.083
  869    HA   ARG 113           HA       ARG 113  13.404   1.160  -2.300
  870   1HB   ARG 113          1HB       ARG 113  15.922   1.217  -3.934
  871   2HB   ARG 113          1HB       ARG 113  14.642   0.051  -4.255
  872   1HG   ARG 113          1HG       ARG 113  13.175   2.260  -4.279
  873   2HG   ARG 113          1HG       ARG 113  14.722   2.967  -4.734
  874   1HD   ARG 113          1HD       ARG 113  14.120   0.512  -6.144
  875   2HD   ARG 113          1HD       ARG 113  12.934   1.782  -6.422
  876    HE   ARG 113           HE       ARG 113  15.755   2.454  -6.737
  877   1HH1  ARG 113          1HH1      ARG 113  12.679   1.784  -8.253
  878   2HH1  ARG 113          2HH1      ARG 113  13.160   2.432  -9.785
  879   1HH2  ARG 113          1HH2      ARG 113  16.381   3.294  -8.747
  880   2HH2  ARG 113          2HH2      ARG 113  15.260   3.285 -10.067
  881    H    ARG 114           H        ARG 114  16.882   0.605  -1.661
  882    HA   ARG 114           HA       ARG 114  16.364  -2.110  -0.872
  883   1HB   ARG 114          1HB       ARG 114  18.604  -2.304  -0.231
  884   2HB   ARG 114          1HB       ARG 114  18.680  -1.161  -1.562
  885   1HG   ARG 114          1HG       ARG 114  20.124  -0.317   0.045
  886   2HG   ARG 114          1HG       ARG 114  18.655   0.629   0.264
  887   1HD   ARG 114          1HD       ARG 114  18.487  -0.057   2.356
  888   2HD   ARG 114          1HD       ARG 114  18.457  -1.743   1.839
  889    HE   ARG 114           HE       ARG 114  20.645  -1.920   2.513
  890   1HH1  ARG 114          1HH1      ARG 114  19.867   1.459   2.193
  891   2HH1  ARG 114          2HH1      ARG 114  21.365   1.994   2.875
  892   1HH2  ARG 114          1HH2      ARG 114  22.607  -1.231   3.412
  893   2HH2  ARG 114          2HH2      ARG 114  22.924   0.464   3.569
  894    H    GLY 115           H        GLY 115  16.954   0.952   0.776
  895   1HA   GLY 115          2HA       GLY 115  16.846   0.216   3.372
  896   2HA   GLY 115          1HA       GLY 115  16.138   1.715   2.795
  897    H    PHE 116           H        PHE 116  13.983   0.473   1.206
  898    HA   PHE 116           HA       PHE 116  12.299  -0.073   3.459
  899   1HB   PHE 116          1HB       PHE 116  11.890   0.039   0.503
  900   2HB   PHE 116          1HB       PHE 116  10.758  -0.952   1.406
  901    HD1  PHE 116          1HD       PHE 116   9.013   0.012   2.649
  902    HD2  PHE 116          2HD       PHE 116  12.022   2.491   0.957
  903    HE1  PHE 116          1HE       PHE 116   7.641   1.998   3.119
  904    HE2  PHE 116          2HE       PHE 116  10.667   4.479   1.434
  905    HZ   PHE 116           HZ       PHE 116   8.470   4.236   2.514
  906    H    THR 117           H        THR 117  13.269  -1.946   0.669
  907    HA   THR 117           HA       THR 117  12.406  -4.400   1.394
  908    HB   THR 117           HB       THR 117  13.690  -3.603  -0.734
  909    HG1  THR 117          1HG       THR 117  12.903  -5.920   0.130
  910   1HG2  THR 117          1HG2      THR 117  15.918  -5.196   0.457
  911   2HG2  THR 117          2HG2      THR 117  15.883  -3.444   0.606
  912   3HG2  THR 117          3HG2      THR 117  15.908  -4.187  -0.988
  913    H    LYS 118           H        LYS 118  15.038  -2.715   2.899
  914    HA   LYS 118           HA       LYS 118  15.443  -5.095   4.578
  915   1HB   LYS 118          1HB       LYS 118  17.501  -5.399   3.809
  916   2HB   LYS 118          1HB       LYS 118  17.181  -4.162   2.607
  917   1HG   LYS 118          1HG       LYS 118  18.332  -2.549   3.777
  918   2HG   LYS 118          1HG       LYS 118  18.185  -3.401   5.316
  919   1HD   LYS 118          1HD       LYS 118  20.448  -3.593   4.574
  920   2HD   LYS 118          1HD       LYS 118  19.676  -5.172   4.401
  921   1HE   LYS 118          1HE       LYS 118  19.577  -3.350   2.066
  922   2HE   LYS 118          1HE       LYS 118  21.142  -4.058   2.468
  923   1HZ   LYS 118          1HZ       LYS 118  19.789  -6.243   2.547
  924   2HZ   LYS 118          2HZ       LYS 118  20.245  -5.605   1.049
  925   3HZ   LYS 118          3HZ       LYS 118  18.665  -5.391   1.611
  926    H    THR 119           H        THR 119  16.086  -1.665   4.288
  927    HA   THR 119           HA       THR 119  17.122  -1.524   6.981
  928    HB   THR 119           HB       THR 119  16.919   0.925   5.475
  929    HG1  THR 119          1HG       THR 119  18.615  -0.423   4.022
  930   1HG2  THR 119          1HG2      THR 119  18.812  -0.397   7.111
  931   2HG2  THR 119          2HG2      THR 119  18.980   1.180   6.331
  932   3HG2  THR 119          3HG2      THR 119  19.534  -0.284   5.502
  933    H    TYR 120           H        TYR 120  14.014  -0.524   5.727
  934    HA   TYR 120           HA       TYR 120  14.077   1.727   7.517
  935   1HB   TYR 120          1HB       TYR 120  12.261   0.806   5.371
  936   2HB   TYR 120          1HB       TYR 120  11.717   1.985   6.532
  937    HD1  TYR 120          1HD       TYR 120  11.601   4.003   5.384
  938    HD2  TYR 120          2HD       TYR 120  15.082   1.582   5.049
  939    HE1  TYR 120          1HE       TYR 120  12.727   5.804   4.142
  940    HE2  TYR 120          2HE       TYR 120  16.215   3.373   3.807
  941    HH   TYR 120           HH       TYR 120  14.557   6.105   2.592
  942    H    THR 121           H        THR 121  12.548  -1.434   7.706
  943    HA   THR 121           HA       THR 121  10.502  -0.817   9.437
  944    HB   THR 121           HB       THR 121  10.095  -2.974   9.320
  945    HG1  THR 121          1HG       THR 121  12.555  -3.856  10.306
  946   1HG2  THR 121          1HG2      THR 121  12.770  -3.740   8.324
  947   2HG2  THR 121          2HG2      THR 121  11.764  -2.676   7.341
  948   3HG2  THR 121          3HG2      THR 121  11.170  -4.269   7.804
  949    H    VAL 122           H        VAL 122  13.615  -0.692   9.975
  950    HA   VAL 122           HA       VAL 122  13.386  -0.383  12.902
  951    HB   VAL 122           HB       VAL 122  15.990  -1.264  11.721
  952   1HG1  VAL 122          1HG1      VAL 122  16.138  -0.319  13.919
  953   2HG1  VAL 122          2HG1      VAL 122  16.332  -2.067  14.060
  954   3HG1  VAL 122          3HG1      VAL 122  14.797  -1.311  14.490
  955   1HG2  VAL 122          1HG2      VAL 122  13.631  -2.825  11.790
  956   2HG2  VAL 122          2HG2      VAL 122  14.681  -3.412  13.078
  957   3HG2  VAL 122          3HG2      VAL 122  15.272  -3.350  11.419
  958    H    GLY 123           H        GLY 123  14.737   0.816   9.942
  959   1HA   GLY 123          2HA       GLY 123  15.728   3.180  11.406
  960   2HA   GLY 123          1HA       GLY 123  16.570   2.505  10.017
  961    H    CYS 124           H        CYS 124  13.149   2.646  10.235
  962    HA   CYS 124           HA       CYS 124  12.612   3.719   7.778
  963   1HB   CYS 124          1HB       CYS 124  10.374   4.242   8.695
  964   2HB   CYS 124          1HB       CYS 124  10.960   2.648   9.172
  965    H    GLU 125           H        GLU 125  14.507   5.399   7.981
  966    HA   GLU 125           HA       GLU 125  13.259   8.001   8.540
  967   1HB   GLU 125          1HB       GLU 125  15.978   8.451   8.847
  968   2HB   GLU 125          1HB       GLU 125  14.791   8.347  10.142
  969   1HG   GLU 125          1HG       GLU 125  15.187   5.871  10.163
  970   2HG   GLU 125          1HG       GLU 125  16.552   6.168   9.078
  971    H    GLU 126           H        GLU 126  12.734   7.553   6.199
  972    HA   GLU 126           HA       GLU 126  14.332   7.284   4.130
  973   1HB   GLU 126          1HB       GLU 126  12.885   8.794   2.839
  974   2HB   GLU 126          1HB       GLU 126  11.988   7.695   3.876
  975   1HG   GLU 126          1HG       GLU 126  10.917   9.437   4.708
  976   2HG   GLU 126          1HG       GLU 126  12.436   9.978   5.408
  Start of MODEL   15
    1   1H    CYS   1          1HT       CYS   1  -9.304  11.771   6.994
    2   2H    CYS   1          2HT       CYS   1  -9.591  12.371   5.412
    3   3H    CYS   1          3HT       CYS   1  -8.187  12.853   6.274
    4    HA   CYS   1           HA       CYS   1  -7.441  10.554   6.277
    5   1HB   CYS   1          1HB       CYS   1 -10.079  10.302   4.966
    6   2HB   CYS   1          1HB       CYS   1  -8.782   9.345   4.276
    7    H    THR   2           H        THR   2  -7.791  13.263   4.490
    8    HA   THR   2           HA       THR   2  -6.130  12.137   2.369
    9    HB   THR   2           HB       THR   2  -7.082  14.036   0.918
   10    HG1  THR   2          1HG       THR   2  -9.055  13.934   2.952
   11   1HG2  THR   2          1HG2      THR   2  -8.888  12.765   0.148
   12   2HG2  THR   2          2HG2      THR   2  -9.141  12.017   1.725
   13   3HG2  THR   2          3HG2      THR   2  -7.727  11.590   0.765
   14    H    CYS   3           H        CYS   3  -4.250  12.661   3.483
   15    HA   CYS   3           HA       CYS   3  -3.612  15.499   3.843
   16   1HB   CYS   3          1HB       CYS   3  -1.842  13.223   4.702
   17   2HB   CYS   3          1HB       CYS   3  -1.944  14.848   5.364
   18    H    VAL   4           H        VAL   4  -0.905  15.478   3.592
   19    HA   VAL   4           HA       VAL   4  -0.543  14.849   0.740
   20    HB   VAL   4           HB       VAL   4   1.082  16.558   0.592
   21   1HG1  VAL   4          1HG1      VAL   4  -1.416  17.179   0.986
   22   2HG1  VAL   4          2HG1      VAL   4  -0.188  18.444   0.943
   23   3HG1  VAL   4          3HG1      VAL   4  -0.809  17.869   2.490
   24   1HG2  VAL   4          1HG2      VAL   4   2.348  16.108   2.597
   25   2HG2  VAL   4          2HG2      VAL   4   1.031  16.711   3.602
   26   3HG2  VAL   4          3HG2      VAL   4   1.911  17.815   2.546
   27    HA   PRO   5           HA       PRO   5   2.533  11.715   1.009
   28   1HB   PRO   5          1HB       PRO   5   4.471  13.849   0.169
   29   2HB   PRO   5          1HB       PRO   5   4.345  12.173  -0.382
   30   1HG   PRO   5          1HG       PRO   5   3.321  14.121  -1.856
   31   2HG   PRO   5          1HG       PRO   5   2.441  12.594  -1.650
   32   1HD   PRO   5          1HD       PRO   5   1.878  15.265  -0.480
   33   2HD   PRO   5          1HD       PRO   5   0.762  13.944  -0.867
   34    HA   PRO   6           HA       PRO   6   4.303  12.987   4.970
   35   1HB   PRO   6          1HB       PRO   6   3.502  10.752   6.313
   36   2HB   PRO   6          1HB       PRO   6   2.473  12.154   6.026
   37   1HG   PRO   6          1HG       PRO   6   2.258   9.489   4.913
   38   2HG   PRO   6          1HG       PRO   6   1.128  10.844   4.777
   39   1HD   PRO   6          1HD       PRO   6   3.138   9.905   2.856
   40   2HD   PRO   6          1HD       PRO   6   1.753  10.986   2.607
   41    H    HIS   7           H        HIS   7   6.289  12.545   6.039
   42    HA   HIS   7           HA       HIS   7   8.326  11.504   4.962
   43   1HB   HIS   7          1HB       HIS   7   7.489  11.071   7.811
   44   2HB   HIS   7          1HB       HIS   7   9.100  10.650   7.235
   45    HD1  HIS   7          1HD       HIS   7   7.635  13.167   9.071
   46    HD2  HIS   7          2HD       HIS   7  10.053  13.237   5.692
   47    HE1  HIS   7          1HE       HIS   7   8.643  15.470   9.014
   48    HE2  HIS   7          2HE       HIS   7  10.043  15.513   6.920
   49    HA   PRO   8           HA       PRO   8   7.463   7.303   3.743
   50   1HB   PRO   8          1HB       PRO   8   9.869   6.877   2.558
   51   2HB   PRO   8          1HB       PRO   8   8.554   7.768   1.798
   52   1HG   PRO   8          1HG       PRO   8  10.977   8.781   3.173
   53   2HG   PRO   8          1HG       PRO   8  10.170   9.410   1.732
   54   1HD   PRO   8          1HD       PRO   8   9.872  10.531   4.225
   55   2HD   PRO   8          1HD       PRO   8   8.638  10.608   2.956
   56    H    GLN   9           H        GLN   9  10.587   8.129   5.208
   57    HA   GLN   9           HA       GLN   9  11.100   5.479   6.088
   58   1HB   GLN   9          1HB       GLN   9  12.237   8.162   6.459
   59   2HB   GLN   9          1HB       GLN   9  12.473   7.083   7.813
   60   1HG   GLN   9          1HG       GLN   9  14.310   6.457   6.714
   61   2HG   GLN   9          1HG       GLN   9  13.199   5.501   5.741
   62   1HE2  GLN   9          1HE2      GLN   9  15.713   7.510   5.525
   63   2HE2  GLN   9          2HE2      GLN   9  15.410   8.242   3.990
   64    H    THR  10           H        THR  10   8.858   7.852   6.965
   65    HA   THR  10           HA       THR  10   8.530   6.805   9.662
   66    HB   THR  10           HB       THR  10   7.815   9.314   8.278
   67    HG1  THR  10          1HG       THR  10   9.105   8.558  10.460
   68   1HG2  THR  10          1HG2      THR  10   5.706   9.548   8.872
   69   2HG2  THR  10          2HG2      THR  10   6.167   9.309  10.560
   70   3HG2  THR  10          3HG2      THR  10   5.703   7.928   9.570
   71    H    ALA  11           H        ALA  11   7.128   7.168   6.506
   72    HA   ALA  11           HA       ALA  11   4.617   5.999   6.890
   73   1HB   ALA  11          1HB       ALA  11   5.523   7.344   4.906
   74   2HB   ALA  11          2HB       ALA  11   4.438   5.993   4.567
   75   3HB   ALA  11          3HB       ALA  11   6.176   5.803   4.340
   76    H    PHE  12           H        PHE  12   7.811   4.607   6.453
   77    HA   PHE  12           HA       PHE  12   6.811   1.990   5.829
   78   1HB   PHE  12          1HB       PHE  12   9.136   2.859   5.246
   79   2HB   PHE  12          1HB       PHE  12   9.539   2.664   6.945
   80    HD1  PHE  12          1HD       PHE  12  10.961   0.934   7.165
   81    HD2  PHE  12          2HD       PHE  12   7.651   0.485   4.554
   82    HE1  PHE  12          1HE       PHE  12  11.602  -1.401   6.798
   83    HE2  PHE  12          2HE       PHE  12   8.274  -1.870   4.169
   84    HZ   PHE  12           HZ       PHE  12  10.253  -2.813   5.293
   85    H    CYS  13           H        CYS  13   8.418   3.382   8.624
   86    HA   CYS  13           HA       CYS  13   8.026   1.228  10.363
   87   1HB   CYS  13          1HB       CYS  13   9.163   3.872  10.406
   88   2HB   CYS  13          1HB       CYS  13   8.262   3.581  11.885
   89    H    ASN  14           H        ASN  14   6.352   4.408  10.275
   90    HA   ASN  14           HA       ASN  14   4.567   3.843  12.304
   91   1HB   ASN  14          1HB       ASN  14   5.011   6.027  10.869
   92   2HB   ASN  14          1HB       ASN  14   3.591   5.450   9.998
   93   1HD2  ASN  14          1HD2      ASN  14   1.959   6.673  10.644
   94   2HD2  ASN  14          2HD2      ASN  14   1.531   6.996  12.286
   95    H    SER  15           H        SER  15   4.240   3.041   8.822
   96    HA   SER  15           HA       SER  15   1.597   2.220   8.954
   97   1HB   SER  15          1HB       SER  15   3.502   2.482   6.960
   98   2HB   SER  15          1HB       SER  15   3.111   0.775   6.977
   99    HG   SER  15           HG       SER  15   1.525   2.964   6.334
  100    H    ASP  16           H        ASP  16   0.760   0.443   9.041
  101    HA   ASP  16           HA       ASP  16   1.870  -1.620  10.647
  102   1HB   ASP  16          1HB       ASP  16  -0.780  -0.743   9.886
  103   2HB   ASP  16          1HB       ASP  16  -0.640  -2.430  10.318
  104    H    LEU  17           H        LEU  17   1.789  -1.206   7.586
  105    HA   LEU  17           HA       LEU  17   3.019  -3.437   7.046
  106   1HB   LEU  17          1HB       LEU  17   1.705  -4.862   5.589
  107   2HB   LEU  17          1HB       LEU  17   1.325  -4.936   7.287
  108    HG   LEU  17           HG       LEU  17  -0.764  -4.178   6.990
  109   1HD1  LEU  17          1HD1      LEU  17  -1.484  -2.534   5.625
  110   2HD1  LEU  17          2HD1      LEU  17  -0.537  -3.114   4.256
  111   3HD1  LEU  17          3HD1      LEU  17   0.228  -2.179   5.522
  112   1HD2  LEU  17          1HD2      LEU  17  -1.248  -6.051   5.846
  113   2HD2  LEU  17          2HD2      LEU  17   0.301  -5.975   5.015
  114   3HD2  LEU  17          3HD2      LEU  17  -1.099  -5.122   4.360
  115    H    VAL  18           H        VAL  18   3.996  -3.639   5.160
  116    HA   VAL  18           HA       VAL  18   3.322  -1.669   3.096
  117    HB   VAL  18           HB       VAL  18   6.172  -2.045   3.980
  118   1HG1  VAL  18          1HG1      VAL  18   5.277  -0.980   1.727
  119   2HG1  VAL  18          2HG1      VAL  18   6.687  -0.332   2.564
  120   3HG1  VAL  18          3HG1      VAL  18   5.116   0.450   2.747
  121   1HG2  VAL  18          1HG2      VAL  18   5.521   0.439   4.918
  122   2HG2  VAL  18          2HG2      VAL  18   5.657  -1.018   5.897
  123   3HG2  VAL  18          3HG2      VAL  18   4.078  -0.492   5.318
  124    H    ILE  19           H        ILE  19   3.561  -2.472   1.048
  125    HA   ILE  19           HA       ILE  19   5.435  -4.658   0.629
  126    HB   ILE  19           HB       ILE  19   3.663  -6.080  -0.338
  127   1HG1  ILE  19          1HG1      ILE  19   1.412  -4.740   0.934
  128   2HG1  ILE  19          1HG1      ILE  19   2.158  -3.727  -0.295
  129   1HG2  ILE  19          1HG2      ILE  19   2.507  -5.608   2.317
  130   2HG2  ILE  19          2HG2      ILE  19   4.253  -5.826   2.298
  131   3HG2  ILE  19          3HG2      ILE  19   3.206  -7.068   1.624
  132   1HD1  ILE  19          1HD1      ILE  19   0.313  -5.070  -1.171
  133   2HD1  ILE  19          2HD1      ILE  19   1.186  -6.538  -0.729
  134   3HD1  ILE  19          3HD1      ILE  19   1.846  -5.454  -1.952
  135    H    ARG  20           H        ARG  20   5.913  -5.030  -1.495
  136    HA   ARG  20           HA       ARG  20   5.114  -2.911  -3.325
  137   1HB   ARG  20          1HB       ARG  20   7.070  -3.212  -4.502
  138   2HB   ARG  20          1HB       ARG  20   7.584  -3.642  -2.883
  139   1HG   ARG  20          1HG       ARG  20   7.761  -5.882  -3.402
  140   2HG   ARG  20          1HG       ARG  20   6.669  -5.752  -4.772
  141   1HD   ARG  20          1HD       ARG  20   8.388  -4.325  -5.900
  142   2HD   ARG  20          1HD       ARG  20   9.494  -4.732  -4.593
  143    HE   ARG  20           HE       ARG  20   8.536  -6.508  -6.694
  144   1HH1  ARG  20          1HH1      ARG  20  10.508  -6.079  -3.844
  145   2HH1  ARG  20          2HH1      ARG  20  11.384  -7.552  -4.084
  146   1HH2  ARG  20          1HH2      ARG  20   9.662  -8.449  -6.990
  147   2HH2  ARG  20          2HH2      ARG  20  10.901  -8.901  -5.867
  148    H    ALA  21           H        ALA  21   3.862  -3.203  -4.870
  149    HA   ALA  21           HA       ALA  21   3.336  -5.766  -6.101
  150   1HB   ALA  21          1HB       ALA  21   1.973  -6.256  -4.332
  151   2HB   ALA  21          2HB       ALA  21   0.837  -5.628  -5.526
  152   3HB   ALA  21          3HB       ALA  21   1.381  -4.605  -4.197
  153    H    LYS  22           H        LYS  22   1.394  -5.772  -7.469
  154    HA   LYS  22           HA       LYS  22   1.265  -3.331  -9.113
  155   1HB   LYS  22          1HB       LYS  22   1.493  -6.193  -9.700
  156   2HB   LYS  22          1HB       LYS  22   0.336  -5.358 -10.710
  157   1HG   LYS  22          1HG       LYS  22   2.012  -4.182 -11.766
  158   2HG   LYS  22          1HG       LYS  22   3.061  -4.219 -10.348
  159   1HD   LYS  22          1HD       LYS  22   2.507  -6.880 -11.364
  160   2HD   LYS  22          1HD       LYS  22   3.263  -5.855 -12.574
  161   1HE   LYS  22          1HE       LYS  22   5.225  -6.122 -11.605
  162   2HE   LYS  22          1HE       LYS  22   4.592  -5.431 -10.110
  163   1HZ   LYS  22          1HZ       LYS  22   4.009  -7.527  -9.309
  164   2HZ   LYS  22          2HZ       LYS  22   5.535  -7.764 -10.002
  165   3HZ   LYS  22          3HZ       LYS  22   4.146  -8.261 -10.828
  166    H    PHE  23           H        PHE  23  -0.787  -2.744 -10.006
  167    HA   PHE  23           HA       PHE  23  -3.061  -3.831  -8.473
  168   1HB   PHE  23          1HB       PHE  23  -2.902  -1.251 -10.054
  169   2HB   PHE  23          1HB       PHE  23  -4.277  -1.798  -9.098
  170    HD1  PHE  23          1HD       PHE  23  -4.291  -1.616  -6.717
  171    HD2  PHE  23          2HD       PHE  23  -0.842  -0.517  -8.953
  172    HE1  PHE  23          1HE       PHE  23  -3.355  -0.517  -4.725
  173    HE2  PHE  23          2HE       PHE  23   0.099   0.585  -6.965
  174    HZ   PHE  23           HZ       PHE  23  -1.158   0.587  -4.849
  175    H    VAL  24           H        VAL  24  -4.149  -5.235  -9.299
  176    HA   VAL  24           HA       VAL  24  -4.758  -5.273 -12.136
  177    HB   VAL  24           HB       VAL  24  -4.428  -7.909 -11.546
  178   1HG1  VAL  24          1HG1      VAL  24  -2.808  -7.836 -13.170
  179   2HG1  VAL  24          2HG1      VAL  24  -2.038  -6.414 -12.464
  180   3HG1  VAL  24          3HG1      VAL  24  -3.523  -6.242 -13.401
  181   1HG2  VAL  24          1HG2      VAL  24  -3.212  -6.704  -9.427
  182   2HG2  VAL  24          2HG2      VAL  24  -1.879  -6.999 -10.534
  183   3HG2  VAL  24          3HG2      VAL  24  -2.905  -8.334 -10.006
  184    H    GLY  25           H        GLY  25  -6.625  -4.382 -10.514
  185   1HA   GLY  25          2HA       GLY  25  -8.761  -6.216 -10.865
  186   2HA   GLY  25          1HA       GLY  25  -8.378  -6.018  -9.171
  187    H    THR  26           H        THR  26 -10.869  -5.258 -10.192
  188    HA   THR  26           HA       THR  26 -10.732  -2.370 -10.443
  189    HB   THR  26           HB       THR  26 -11.974  -3.688 -12.092
  190    HG1  THR  26          1HG       THR  26 -14.183  -2.591 -11.275
  191   1HG2  THR  26          1HG2      THR  26 -13.529  -4.626  -9.717
  192   2HG2  THR  26          2HG2      THR  26 -12.794  -5.568 -11.016
  193   3HG2  THR  26          3HG2      THR  26 -14.232  -4.598 -11.335
  194    HA   PRO  27           HA       PRO  27 -12.303  -1.542  -6.406
  195   1HB   PRO  27          1HB       PRO  27 -13.700   0.718  -6.764
  196   2HB   PRO  27          1HB       PRO  27 -11.948   0.664  -6.945
  197   1HG   PRO  27          1HG       PRO  27 -14.073   0.625  -9.048
  198   2HG   PRO  27          1HG       PRO  27 -12.539   1.511  -9.030
  199   1HD   PRO  27          1HD       PRO  27 -12.929  -0.826 -10.382
  200   2HD   PRO  27          1HD       PRO  27 -11.354  -0.297  -9.784
  201    H    GLU  28           H        GLU  28 -13.737  -2.860  -5.474
  202    HA   GLU  28           HA       GLU  28 -16.461  -3.052  -6.497
  203   1HB   GLU  28          1HB       GLU  28 -14.736  -4.687  -4.856
  204   2HB   GLU  28          1HB       GLU  28 -16.305  -4.464  -4.090
  205   1HG   GLU  28          1HG       GLU  28 -17.406  -5.231  -6.125
  206   2HG   GLU  28          1HG       GLU  28 -15.828  -5.479  -6.876
  207    H    VAL  29           H        VAL  29 -18.005  -1.678  -5.830
  208    HA   VAL  29           HA       VAL  29 -17.524  -0.314  -3.280
  209    HB   VAL  29           HB       VAL  29 -19.435   0.754  -5.279
  210   1HG1  VAL  29          1HG1      VAL  29 -17.779   1.829  -3.040
  211   2HG1  VAL  29          2HG1      VAL  29 -19.510   1.978  -3.323
  212   3HG1  VAL  29          3HG1      VAL  29 -18.373   2.894  -4.313
  213   1HG2  VAL  29          1HG2      VAL  29 -16.830   1.929  -5.580
  214   2HG2  VAL  29          2HG2      VAL  29 -17.871   1.199  -6.803
  215   3HG2  VAL  29          3HG2      VAL  29 -16.746   0.197  -5.889
  216    H    ASN  30           H        ASN  30 -18.668  -1.472  -1.634
  217    HA   ASN  30           HA       ASN  30 -21.410  -2.183  -2.042
  218   1HB   ASN  30          1HB       ASN  30 -19.681  -2.893  -0.104
  219   2HB   ASN  30          1HB       ASN  30 -20.525  -1.591   0.728
  220   1HD2  ASN  30          1HD2      ASN  30 -22.352  -2.034   1.712
  221   2HD2  ASN  30          2HD2      ASN  30 -23.318  -3.441   1.471
  222    H    GLN  31           H        GLN  31 -23.234  -1.147  -1.188
  223    HA   GLN  31           HA       GLN  31 -23.131   1.761  -1.290
  224   1HB   GLN  31          1HB       GLN  31 -25.497  -0.019  -0.727
  225   2HB   GLN  31          1HB       GLN  31 -25.556   1.651  -1.291
  226   1HG   GLN  31          1HG       GLN  31 -24.292  -0.538  -2.896
  227   2HG   GLN  31          1HG       GLN  31 -26.024  -0.213  -2.971
  228   1HE2  GLN  31          1HE2      GLN  31 -22.859   0.889  -3.819
  229   2HE2  GLN  31          2HE2      GLN  31 -23.353   2.197  -4.835
  230    H    THR  32           H        THR  32 -22.887  -0.678   0.992
  231    HA   THR  32           HA       THR  32 -23.389   1.211   3.157
  232    HB   THR  32           HB       THR  32 -24.716  -1.411   2.576
  233    HG1  THR  32          1HG       THR  32 -26.261   0.192   3.922
  234   1HG2  THR  32          1HG2      THR  32 -23.612  -1.516   4.933
  235   2HG2  THR  32          2HG2      THR  32 -25.296  -1.967   4.734
  236   3HG2  THR  32          3HG2      THR  32 -24.880  -0.380   5.376
  237    H    THR  33           H        THR  33 -20.971   0.932   2.449
  238    HA   THR  33           HA       THR  33 -19.793  -0.992   4.307
  239    HB   THR  33           HB       THR  33 -18.921  -1.737   2.328
  240    HG1  THR  33          1HG       THR  33 -16.880  -0.826   2.030
  241   1HG2  THR  33          1HG2      THR  33 -18.369   0.802   0.966
  242   2HG2  THR  33          2HG2      THR  33 -20.059   0.320   1.044
  243   3HG2  THR  33          3HG2      THR  33 -18.877  -0.739   0.288
  244    H    LEU  34           H        LEU  34 -19.291   1.898   2.327
  245    HA   LEU  34           HA       LEU  34 -18.586   3.986   3.071
  246   1HB   LEU  34          1HB       LEU  34 -18.247   2.525   5.592
  247   2HB   LEU  34          1HB       LEU  34 -17.024   3.694   5.247
  248    HG   LEU  34           HG       LEU  34 -19.966   4.321   5.198
  249   1HD1  LEU  34          1HD1      LEU  34 -20.007   4.588   7.418
  250   2HD1  LEU  34          2HD1      LEU  34 -18.430   5.381   7.432
  251   3HD1  LEU  34          3HD1      LEU  34 -18.533   3.619   7.441
  252   1HD2  LEU  34          1HD2      LEU  34 -17.837   6.323   5.702
  253   2HD2  LEU  34          2HD2      LEU  34 -19.355   6.484   4.819
  254   3HD2  LEU  34          3HD2      LEU  34 -17.973   5.683   4.060
  255    H    TYR  35           H        TYR  35 -17.204   1.044   2.580
  256    HA   TYR  35           HA       TYR  35 -14.777   2.249   1.530
  257   1HB   TYR  35          1HB       TYR  35 -13.574   0.109   2.353
  258   2HB   TYR  35          1HB       TYR  35 -13.766   1.494   3.397
  259    HD1  TYR  35          1HD       TYR  35 -14.475  -1.951   2.916
  260    HD2  TYR  35          2HD       TYR  35 -15.543   1.513   5.116
  261    HE1  TYR  35          1HE       TYR  35 -15.515  -3.373   4.634
  262    HE2  TYR  35          2HE       TYR  35 -16.578   0.130   6.833
  263    HH   TYR  35           HH       TYR  35 -16.776  -3.402   6.497
  264    H    GLN  36           H        GLN  36 -13.510   0.870   0.201
  265    HA   GLN  36           HA       GLN  36 -15.140  -1.045  -1.314
  266   1HB   GLN  36          1HB       GLN  36 -13.354   1.194  -2.249
  267   2HB   GLN  36          1HB       GLN  36 -14.015  -0.036  -3.321
  268   1HG   GLN  36          1HG       GLN  36 -16.207   0.735  -2.964
  269   2HG   GLN  36          1HG       GLN  36 -15.711   1.749  -1.624
  270   1HE2  GLN  36          1HE2      GLN  36 -16.242   3.734  -2.352
  271   2HE2  GLN  36          2HE2      GLN  36 -15.648   4.448  -3.797
  272    H    ARG  37           H        ARG  37 -13.664  -2.319  -2.855
  273    HA   ARG  37           HA       ARG  37 -11.031  -2.744  -1.635
  274   1HB   ARG  37          1HB       ARG  37 -11.951  -5.241  -2.683
  275   2HB   ARG  37          1HB       ARG  37 -11.431  -4.851  -1.055
  276   1HG   ARG  37          1HG       ARG  37 -14.034  -3.861  -1.239
  277   2HG   ARG  37          1HG       ARG  37 -14.061  -5.422  -2.060
  278   1HD   ARG  37          1HD       ARG  37 -13.452  -6.582  -0.164
  279   2HD   ARG  37          1HD       ARG  37 -12.669  -5.181   0.562
  280    HE   ARG  37           HE       ARG  37 -14.692  -4.525   1.444
  281   1HH1  ARG  37          1HH1      ARG  37 -15.198  -7.131  -0.826
  282   2HH1  ARG  37          2HH1      ARG  37 -16.844  -7.386  -0.354
  283   1HH2  ARG  37          1HH2      ARG  37 -16.854  -4.864   2.064
  284   2HH2  ARG  37          2HH2      ARG  37 -17.785  -6.100   1.284
  285    H    TYR  38           H        TYR  38  -9.401  -3.337  -2.968
  286    HA   TYR  38           HA       TYR  38  -9.946  -3.299  -5.882
  287   1HB   TYR  38          1HB       TYR  38  -7.916  -1.845  -4.249
  288   2HB   TYR  38          1HB       TYR  38  -7.371  -2.490  -5.783
  289    HD1  TYR  38          1HD       TYR  38  -8.040   0.418  -4.415
  290    HD2  TYR  38          2HD       TYR  38  -9.578  -1.955  -7.591
  291    HE1  TYR  38          1HE       TYR  38  -8.807   2.452  -5.544
  292    HE2  TYR  38          2HE       TYR  38 -10.361   0.081  -8.724
  293    HH   TYR  38           HH       TYR  38 -10.248   2.342  -8.767
  294    H    GLU  39           H        GLU  39  -8.717  -4.831  -7.099
  295    HA   GLU  39           HA       GLU  39  -7.360  -6.844  -5.480
  296   1HB   GLU  39          1HB       GLU  39  -8.082  -6.978  -8.408
  297   2HB   GLU  39          1HB       GLU  39  -7.566  -8.304  -7.403
  298   1HG   GLU  39          1HG       GLU  39  -9.662  -7.881  -6.038
  299   2HG   GLU  39          1HG       GLU  39 -10.177  -6.828  -7.341
  300    H    ILE  40           H        ILE  40  -5.214  -7.422  -5.850
  301    HA   ILE  40           HA       ILE  40  -3.769  -5.752  -7.773
  302    HB   ILE  40           HB       ILE  40  -1.923  -5.609  -6.031
  303   1HG1  ILE  40          1HG1      ILE  40  -4.150  -6.020  -4.054
  304   2HG1  ILE  40          1HG1      ILE  40  -3.143  -7.364  -4.584
  305   1HG2  ILE  40          1HG2      ILE  40  -4.371  -4.072  -6.321
  306   2HG2  ILE  40          2HG2      ILE  40  -2.702  -3.522  -6.178
  307   3HG2  ILE  40          3HG2      ILE  40  -3.640  -3.881  -4.728
  308   1HD1  ILE  40          1HD1      ILE  40  -2.438  -6.278  -2.451
  309   2HD1  ILE  40          2HD1      ILE  40  -2.038  -4.841  -3.391
  310   3HD1  ILE  40          3HD1      ILE  40  -1.191  -6.358  -3.695
  311    H    LYS  41           H        LYS  41  -1.356  -6.470  -7.783
  312    HA   LYS  41           HA       LYS  41  -1.294  -9.393  -7.807
  313   1HB   LYS  41          1HB       LYS  41  -1.038  -8.739 -10.075
  314   2HB   LYS  41          1HB       LYS  41   0.028  -7.412  -9.652
  315   1HG   LYS  41          1HG       LYS  41   1.839  -8.718  -9.740
  316   2HG   LYS  41          1HG       LYS  41   1.049 -10.033  -8.867
  317   1HD   LYS  41          1HD       LYS  41   0.086  -9.560 -11.614
  318   2HD   LYS  41          1HD       LYS  41   1.743 -10.151 -11.480
  319   1HE   LYS  41          1HE       LYS  41   0.833 -11.952  -9.952
  320   2HE   LYS  41          1HE       LYS  41  -0.777 -11.437 -10.453
  321   1HZ   LYS  41          1HZ       LYS  41   0.551 -13.337 -11.698
  322   2HZ   LYS  41          2HZ       LYS  41   1.148 -12.016 -12.569
  323   3HZ   LYS  41          3HZ       LYS  41  -0.518 -12.308 -12.511
  324    H    MET  42           H        MET  42  -0.725  -9.109  -5.470
  325    HA   MET  42           HA       MET  42   1.259  -7.555  -4.518
  326   1HB   MET  42          1HB       MET  42  -0.174  -8.587  -3.000
  327   2HB   MET  42          1HB       MET  42   0.123 -10.184  -3.664
  328   1HG   MET  42          1HG       MET  42   2.567  -9.112  -2.647
  329   2HG   MET  42          1HG       MET  42   1.305  -8.972  -1.425
  330   1HE   MET  42          1HE       MET  42   3.678 -11.759  -3.280
  331   2HE   MET  42          2HE       MET  42   3.902 -12.271  -1.607
  332   3HE   MET  42          3HE       MET  42   4.061 -10.567  -2.036
  333    H    THR  43           H        THR  43   3.319  -7.353  -5.006
  334    HA   THR  43           HA       THR  43   4.683  -9.491  -6.310
  335    HB   THR  43           HB       THR  43   5.945  -6.900  -5.462
  336    HG1  THR  43          1HG       THR  43   3.834  -7.018  -6.974
  337   1HG2  THR  43          1HG2      THR  43   7.271  -8.807  -6.514
  338   2HG2  THR  43          2HG2      THR  43   7.427  -7.196  -7.210
  339   3HG2  THR  43          3HG2      THR  43   6.413  -8.395  -7.997
  340    H    LYS  44           H        LYS  44   5.616  -7.465  -3.466
  341    HA   LYS  44           HA       LYS  44   6.451  -9.832  -2.049
  342   1HB   LYS  44          1HB       LYS  44   8.411  -8.658  -3.507
  343   2HB   LYS  44          1HB       LYS  44   8.504  -7.693  -2.041
  344   1HG   LYS  44          1HG       LYS  44   8.461 -10.665  -1.818
  345   2HG   LYS  44          1HG       LYS  44   9.947  -9.850  -2.305
  346   1HD   LYS  44          1HD       LYS  44   8.963  -8.410  -0.104
  347   2HD   LYS  44          1HD       LYS  44   8.785 -10.115   0.314
  348   1HE   LYS  44          1HE       LYS  44  11.094 -10.530   0.000
  349   2HE   LYS  44          1HE       LYS  44  11.339  -8.975  -0.794
  350   1HZ   LYS  44          1HZ       LYS  44  12.058  -8.399   1.245
  351   2HZ   LYS  44          2HZ       LYS  44  11.179  -9.607   2.037
  352   3HZ   LYS  44          3HZ       LYS  44  10.411  -8.177   1.563
  353    H    MET  45           H        MET  45   6.310  -9.530   0.133
  354    HA   MET  45           HA       MET  45   5.109  -7.025   0.993
  355   1HB   MET  45          1HB       MET  45   4.496  -8.191   3.051
  356   2HB   MET  45          1HB       MET  45   3.986  -9.137   1.657
  357   1HG   MET  45          1HG       MET  45   6.500  -9.636   3.229
  358   2HG   MET  45          1HG       MET  45   4.976 -10.467   3.502
  359   1HE   MET  45          1HE       MET  45   8.325 -11.816   1.666
  360   2HE   MET  45          2HE       MET  45   7.258 -13.088   2.260
  361   3HE   MET  45          3HE       MET  45   7.570 -11.668   3.245
  362    H    TYR  46           H        TYR  46   6.157  -5.555   2.329
  363    HA   TYR  46           HA       TYR  46   8.837  -6.349   3.138
  364   1HB   TYR  46          1HB       TYR  46   7.667  -3.597   2.675
  365   2HB   TYR  46          1HB       TYR  46   9.265  -3.881   3.361
  366    HD1  TYR  46          1HD       TYR  46   7.491  -5.557   0.538
  367    HD2  TYR  46          2HD       TYR  46  10.861  -3.206   1.698
  368    HE1  TYR  46          1HE       TYR  46   8.420  -5.762  -1.717
  369    HE2  TYR  46          2HE       TYR  46  11.776  -3.410  -0.560
  370    HH   TYR  46           HH       TYR  46  10.773  -3.853  -2.936
  371    H    LYS  47           H        LYS  47   5.733  -5.065   4.345
  372    HA   LYS  47           HA       LYS  47   6.523  -5.945   7.008
  373   1HB   LYS  47          1HB       LYS  47   6.757  -3.285   6.382
  374   2HB   LYS  47          1HB       LYS  47   5.137  -3.373   7.050
  375   1HG   LYS  47          1HG       LYS  47   5.932  -4.231   9.113
  376   2HG   LYS  47          1HG       LYS  47   7.549  -4.481   8.449
  377   1HD   LYS  47          1HD       LYS  47   7.729  -2.515   9.712
  378   2HD   LYS  47          1HD       LYS  47   7.585  -1.962   8.043
  379   1HE   LYS  47          1HE       LYS  47   5.288  -2.140   9.987
  380   2HE   LYS  47          1HE       LYS  47   6.207  -0.672   9.661
  381   1HZ   LYS  47          1HZ       LYS  47   5.484  -0.719   7.397
  382   2HZ   LYS  47          2HZ       LYS  47   4.132  -0.819   8.387
  383   3HZ   LYS  47          3HZ       LYS  47   4.695  -2.191   7.611
  384    H    GLY  48           H        GLY  48   4.868  -6.746   8.139
  385   1HA   GLY  48          2HA       GLY  48   2.301  -6.286   8.503
  386   2HA   GLY  48          1HA       GLY  48   2.262  -6.975   6.881
  387    H    PHE  49           H        PHE  49   4.793  -8.496   8.152
  388    HA   PHE  49           HA       PHE  49   3.552 -10.943   8.374
  389   1HB   PHE  49          1HB       PHE  49   6.128 -10.204   9.732
  390   2HB   PHE  49          1HB       PHE  49   5.590 -11.815   9.277
  391    HD1  PHE  49          1HD       PHE  49   5.635 -12.537   6.969
  392    HD2  PHE  49          2HD       PHE  49   7.010  -8.676   8.100
  393    HE1  PHE  49          1HE       PHE  49   6.762 -12.309   4.796
  394    HE2  PHE  49          2HE       PHE  49   8.141  -8.436   5.929
  395    HZ   PHE  49           HZ       PHE  49   8.021 -10.253   4.276
  396    H    GLN  50           H        GLN  50   4.428  -8.689  11.150
  397    HA   GLN  50           HA       GLN  50   3.671 -10.477  13.070
  398   1HB   GLN  50          1HB       GLN  50   3.306  -8.399  14.459
  399   2HB   GLN  50          1HB       GLN  50   4.881  -8.535  13.692
  400   1HG   GLN  50          1HG       GLN  50   4.484  -6.811  12.235
  401   2HG   GLN  50          1HG       GLN  50   2.734  -7.009  12.303
  402   1HE2  GLN  50          1HE2      GLN  50   1.864  -5.248  13.110
  403   2HE2  GLN  50          2HE2      GLN  50   2.434  -4.362  14.479
  404    H    ALA  51           H        ALA  51   1.717  -8.154  11.204
  405    HA   ALA  51           HA       ALA  51  -0.618  -8.288  12.586
  406   1HB   ALA  51          1HB       ALA  51  -1.774  -7.847  10.532
  407   2HB   ALA  51          2HB       ALA  51  -0.452  -8.534   9.587
  408   3HB   ALA  51          3HB       ALA  51  -0.218  -7.022  10.465
  409    H    LEU  52           H        LEU  52   0.439 -10.433   9.996
  410    HA   LEU  52           HA       LEU  52  -0.541 -12.782  11.321
  411   1HB   LEU  52          1HB       LEU  52  -1.985 -13.132   9.056
  412   2HB   LEU  52          1HB       LEU  52  -2.644 -12.488  10.543
  413    HG   LEU  52           HG       LEU  52  -2.360 -10.212   9.755
  414   1HD1  LEU  52          1HD1      LEU  52  -1.504 -11.155   7.057
  415   2HD1  LEU  52          2HD1      LEU  52  -0.312 -10.820   8.317
  416   3HD1  LEU  52          3HD1      LEU  52  -1.402  -9.549   7.773
  417   1HD2  LEU  52          1HD2      LEU  52  -3.990 -12.188   8.374
  418   2HD2  LEU  52          2HD2      LEU  52  -3.715 -10.728   7.425
  419   3HD2  LEU  52          3HD2      LEU  52  -4.433 -10.613   9.031
  420    H    GLY  53           H        GLY  53  -0.702 -12.709   7.926
  421   1HA   GLY  53          2HA       GLY  53   2.004 -13.770   7.576
  422   2HA   GLY  53          1HA       GLY  53   0.609 -14.616   6.906
  423    H    ASP  54           H        ASP  54   1.622 -11.213   7.080
  424    HA   ASP  54           HA       ASP  54   0.379 -10.389   4.787
  425   1HB   ASP  54          1HB       ASP  54   1.307  -8.363   5.162
  426   2HB   ASP  54          1HB       ASP  54   1.701  -9.112   6.693
  427    H    ALA  55           H        ALA  55   2.631 -12.717   4.684
  428    HA   ALA  55           HA       ALA  55   4.224 -11.931   2.505
  429   1HB   ALA  55          1HB       ALA  55   3.478 -14.616   3.613
  430   2HB   ALA  55          2HB       ALA  55   5.014 -13.763   3.763
  431   3HB   ALA  55          3HB       ALA  55   4.526 -14.434   2.207
  432    H    ALA  56           H        ALA  56   1.249 -13.822   2.773
  433    HA   ALA  56           HA       ALA  56   0.762 -13.339  -0.098
  434   1HB   ALA  56          1HB       ALA  56  -0.812 -15.505   0.903
  435   2HB   ALA  56          2HB       ALA  56   0.884 -15.770   1.307
  436   3HB   ALA  56          3HB       ALA  56   0.406 -15.514  -0.373
  437    H    ASP  57           H        ASP  57  -0.510 -13.112   3.110
  438    HA   ASP  57           HA       ASP  57  -3.238 -12.926   2.534
  439   1HB   ASP  57          1HB       ASP  57  -1.612 -12.791   4.817
  440   2HB   ASP  57          1HB       ASP  57  -2.559 -11.306   4.811
  441    H    ILE  58           H        ILE  58  -1.252 -10.913   1.043
  442    HA   ILE  58           HA       ILE  58  -3.041  -8.596   1.508
  443    HB   ILE  58           HB       ILE  58  -0.355  -8.284   0.233
  444   1HG1  ILE  58          1HG1      ILE  58   0.461  -9.276   2.145
  445   2HG1  ILE  58          1HG1      ILE  58   0.429  -7.581   2.607
  446   1HG2  ILE  58          1HG2      ILE  58  -2.273  -6.539   0.433
  447   2HG2  ILE  58          2HG2      ILE  58  -0.592  -6.058   0.694
  448   3HG2  ILE  58          3HG2      ILE  58  -1.651  -6.338   2.076
  449   1HD1  ILE  58          1HD1      ILE  58  -1.118  -9.870   3.612
  450   2HD1  ILE  58          2HD1      ILE  58  -1.975  -8.331   3.493
  451   3HD1  ILE  58          3HD1      ILE  58  -0.505  -8.452   4.458
  452    H    ARG  59           H        ARG  59  -4.456  -9.710  -0.244
  453    HA   ARG  59           HA       ARG  59  -3.204  -9.318  -2.850
  454   1HB   ARG  59          1HB       ARG  59  -5.662 -10.912  -2.754
  455   2HB   ARG  59          1HB       ARG  59  -4.139 -11.232  -3.565
  456   1HG   ARG  59          1HG       ARG  59  -3.596 -11.548  -0.845
  457   2HG   ARG  59          1HG       ARG  59  -5.174 -12.292  -1.099
  458   1HD   ARG  59          1HD       ARG  59  -2.773 -12.859  -2.821
  459   2HD   ARG  59          1HD       ARG  59  -3.186 -13.804  -1.392
  460    HE   ARG  59           HE       ARG  59  -5.206 -13.521  -3.484
  461   1HH1  ARG  59          1HH1      ARG  59  -2.851 -15.531  -1.861
  462   2HH1  ARG  59          2HH1      ARG  59  -3.481 -17.005  -2.512
  463   1HH2  ARG  59          1HH2      ARG  59  -6.022 -15.466  -4.346
  464   2HH2  ARG  59          2HH2      ARG  59  -5.274 -16.970  -3.921
  465    H    PHE  60           H        PHE  60  -5.391  -7.901  -0.868
  466    HA   PHE  60           HA       PHE  60  -6.540  -6.271  -2.934
  467   1HB   PHE  60          1HB       PHE  60  -8.283  -7.543  -0.820
  468   2HB   PHE  60          1HB       PHE  60  -8.802  -6.534  -2.161
  469    HD1  PHE  60          1HD       PHE  60  -7.225  -9.825  -1.413
  470    HD2  PHE  60          2HD       PHE  60  -9.554  -7.478  -4.088
  471    HE1  PHE  60          1HE       PHE  60  -7.692 -11.831  -2.761
  472    HE2  PHE  60          2HE       PHE  60 -10.015  -9.469  -5.441
  473    HZ   PHE  60           HZ       PHE  60  -9.090 -11.655  -4.785
  474    H    VAL  61           H        VAL  61  -7.265  -4.387  -2.274
  475    HA   VAL  61           HA       VAL  61  -6.252  -3.557   0.360
  476    HB   VAL  61           HB       VAL  61  -5.405  -1.660  -0.584
  477   1HG1  VAL  61          1HG1      VAL  61  -4.861  -2.702  -3.130
  478   2HG1  VAL  61          2HG1      VAL  61  -4.886  -4.032  -1.975
  479   3HG1  VAL  61          3HG1      VAL  61  -3.819  -2.657  -1.709
  480   1HG2  VAL  61          1HG2      VAL  61  -6.199  -1.253  -3.171
  481   2HG2  VAL  61          2HG2      VAL  61  -6.816  -0.389  -1.763
  482   3HG2  VAL  61          3HG2      VAL  61  -7.669  -1.799  -2.375
  483    H    TYR  62           H        TYR  62  -7.682  -2.634   1.747
  484    HA   TYR  62           HA       TYR  62 -10.300  -1.901   0.713
  485   1HB   TYR  62          1HB       TYR  62  -9.472  -2.561   3.537
  486   2HB   TYR  62          1HB       TYR  62 -11.108  -2.222   3.004
  487    HD1  TYR  62          1HD       TYR  62 -12.302  -4.150   3.306
  488    HD2  TYR  62          2HD       TYR  62  -8.477  -4.431   1.438
  489    HE1  TYR  62          1HE       TYR  62 -12.703  -6.526   2.839
  490    HE2  TYR  62          2HE       TYR  62  -8.874  -6.804   0.981
  491    HH   TYR  62           HH       TYR  62 -10.434  -8.682   2.108
  492    H    THR  63           H        THR  63 -10.502   0.118   0.306
  493    HA   THR  63           HA       THR  63  -9.608   2.161   2.261
  494    HB   THR  63           HB       THR  63  -8.621   3.129   0.416
  495    HG1  THR  63          1HG       THR  63  -9.935   4.678   0.297
  496   1HG2  THR  63          1HG2      THR  63  -9.340   1.006  -0.975
  497   2HG2  THR  63          2HG2      THR  63  -8.875   2.501  -1.786
  498   3HG2  THR  63          3HG2      THR  63 -10.582   2.106  -1.580
  499    HA   PRO  64           HA       PRO  64 -13.939   2.982   3.084
  500   1HB   PRO  64          1HB       PRO  64 -13.155   5.810   3.289
  501   2HB   PRO  64          1HB       PRO  64 -13.962   4.781   4.472
  502   1HG   PRO  64          1HG       PRO  64 -11.409   5.513   4.751
  503   2HG   PRO  64          1HG       PRO  64 -11.977   3.920   5.265
  504   1HD   PRO  64          1HD       PRO  64 -10.391   4.683   2.866
  505   2HD   PRO  64          1HD       PRO  64 -10.304   3.217   3.852
  506    H    ALA  65           H        ALA  65 -15.662   3.655   1.952
  507    HA   ALA  65           HA       ALA  65 -15.248   4.812  -0.608
  508   1HB   ALA  65          1HB       ALA  65 -17.473   3.870  -1.132
  509   2HB   ALA  65          2HB       ALA  65 -17.513   3.211   0.501
  510   3HB   ALA  65          3HB       ALA  65 -16.282   2.673  -0.634
  511    H    MET  66           H        MET  66 -15.098   6.968   0.639
  512    HA   MET  66           HA       MET  66 -17.744   8.195   0.551
  513   1HB   MET  66          1HB       MET  66 -16.642   7.491   2.958
  514   2HB   MET  66          1HB       MET  66 -16.133   9.165   2.797
  515   1HG   MET  66          1HG       MET  66 -18.952   8.666   2.168
  516   2HG   MET  66          1HG       MET  66 -18.492   8.360   3.842
  517   1HE   MET  66          1HE       MET  66 -17.554   9.785   5.364
  518   2HE   MET  66          2HE       MET  66 -17.946  11.501   5.481
  519   3HE   MET  66          3HE       MET  66 -16.435  10.991   4.727
  520    H    GLU  67           H        GLU  67 -17.543  10.648   0.820
  521    HA   GLU  67           HA       GLU  67 -15.574  11.573  -1.073
  522   1HB   GLU  67          1HB       GLU  67 -17.836  12.916   0.404
  523   2HB   GLU  67          1HB       GLU  67 -16.730  13.808  -0.633
  524   1HG   GLU  67          1HG       GLU  67 -17.445  12.642  -2.558
  525   2HG   GLU  67          1HG       GLU  67 -18.310  11.444  -1.597
  526    H    SER  68           H        SER  68 -13.802  12.843  -0.662
  527    HA   SER  68           HA       SER  68 -12.057  13.720   0.518
  528   1HB   SER  68          1HB       SER  68 -14.138  15.234   1.169
  529   2HB   SER  68          1HB       SER  68 -13.866  14.522   2.758
  530    HG   SER  68           HG       SER  68 -12.343  16.342   1.343
  531    H    VAL  69           H        VAL  69 -13.009  10.966   1.061
  532    HA   VAL  69           HA       VAL  69 -12.185  10.550   3.841
  533    HB   VAL  69           HB       VAL  69 -14.303   9.569   2.655
  534   1HG1  VAL  69          1HG1      VAL  69 -13.652   8.412   0.816
  535   2HG1  VAL  69          2HG1      VAL  69 -13.636   7.106   1.990
  536   3HG1  VAL  69          3HG1      VAL  69 -12.133   7.889   1.524
  537   1HG2  VAL  69          1HG2      VAL  69 -13.708   7.320   4.031
  538   2HG2  VAL  69          2HG2      VAL  69 -14.287   8.819   4.750
  539   3HG2  VAL  69          3HG2      VAL  69 -12.562   8.464   4.730
  540    H    CYS  70           H        CYS  70 -11.206   7.927   3.630
  541    HA   CYS  70           HA       CYS  70  -8.657   8.409   2.294
  542   1HB   CYS  70          1HB       CYS  70  -8.412   5.986   3.647
  543   2HB   CYS  70          1HB       CYS  70  -7.799   7.542   4.181
  544    H    GLY  71           H        GLY  71 -10.163   8.223   0.480
  545   1HA   GLY  71          2HA       GLY  71 -10.687   5.568  -0.512
  546   2HA   GLY  71          1HA       GLY  71 -11.145   7.076  -1.278
  547    H    TYR  72           H        TYR  72  -8.921   4.593  -1.199
  548    HA   TYR  72           HA       TYR  72  -6.663   5.967  -2.222
  549   1HB   TYR  72          1HB       TYR  72  -6.616   3.780  -1.016
  550   2HB   TYR  72          1HB       TYR  72  -7.261   3.032  -2.478
  551    HD1  TYR  72          1HD       TYR  72  -5.904   2.847  -4.478
  552    HD2  TYR  72          2HD       TYR  72  -4.354   4.571  -0.920
  553    HE1  TYR  72          1HE       TYR  72  -3.638   2.645  -5.384
  554    HE2  TYR  72          2HE       TYR  72  -2.080   4.382  -1.797
  555    HH   TYR  72           HH       TYR  72  -1.307   4.062  -4.839
  556    H    PHE  73           H        PHE  73  -7.294   7.202  -3.923
  557    HA   PHE  73           HA       PHE  73  -8.684   6.235  -6.154
  558   1HB   PHE  73          1HB       PHE  73  -7.202   8.683  -5.456
  559   2HB   PHE  73          1HB       PHE  73  -7.249   8.319  -7.176
  560    HD1  PHE  73          1HD       PHE  73  -9.185   8.633  -8.442
  561    HD2  PHE  73          2HD       PHE  73  -9.361   8.992  -4.205
  562    HE1  PHE  73          1HE       PHE  73 -11.426   9.616  -8.627
  563    HE2  PHE  73          2HE       PHE  73 -11.612   9.977  -4.381
  564    HZ   PHE  73           HZ       PHE  73 -12.647  10.291  -6.595
  565    H    HIS  74           H        HIS  74  -7.947   4.475  -6.954
  566    HA   HIS  74           HA       HIS  74  -5.182   4.286  -7.866
  567   1HB   HIS  74          1HB       HIS  74  -5.644   2.404  -6.639
  568   2HB   HIS  74          1HB       HIS  74  -7.316   2.344  -7.158
  569    HD1  HIS  74          1HD       HIS  74  -7.453   0.042  -8.091
  570    HD2  HIS  74          2HD       HIS  74  -4.166   2.116  -9.550
  571    HE1  HIS  74          1HE       HIS  74  -6.489  -1.420  -9.889
  572    HE2  HIS  74          2HE       HIS  74  -4.466  -0.170 -10.727
  573    H    ARG  75           H        ARG  75  -4.871   5.114  -9.763
  574    HA   ARG  75           HA       ARG  75  -6.573   4.266 -11.996
  575   1HB   ARG  75          1HB       ARG  75  -6.513   6.507 -12.954
  576   2HB   ARG  75          1HB       ARG  75  -7.241   6.543 -11.355
  577   1HG   ARG  75          1HG       ARG  75  -4.329   7.123 -11.633
  578   2HG   ARG  75          1HG       ARG  75  -5.506   8.356 -12.083
  579   1HD   ARG  75          1HD       ARG  75  -5.538   8.932  -9.931
  580   2HD   ARG  75          1HD       ARG  75  -6.424   7.434  -9.640
  581    HE   ARG  75           HE       ARG  75  -4.581   6.631  -8.567
  582   1HH1  ARG  75          1HH1      ARG  75  -3.571   9.238 -10.658
  583   2HH1  ARG  75          2HH1      ARG  75  -1.922   9.188 -10.131
  584   1HH2  ARG  75          1HH2      ARG  75  -2.412   6.561  -7.877
  585   2HH2  ARG  75          2HH2      ARG  75  -1.263   7.668  -8.553
  586    H    SER  76           H        SER  76  -4.420   2.849 -11.644
  587    HA   SER  76           HA       SER  76  -2.287   4.026 -13.290
  588   1HB   SER  76          1HB       SER  76  -1.985   1.471 -11.727
  589   2HB   SER  76          1HB       SER  76  -0.740   2.612 -12.236
  590    HG   SER  76           HG       SER  76  -1.245   2.761  -9.991
  591    H    HIS  77           H        HIS  77  -2.570   3.567 -15.376
  592    HA   HIS  77           HA       HIS  77  -4.071   1.511 -16.489
  593   1HB   HIS  77          1HB       HIS  77  -2.369   3.590 -17.414
  594   2HB   HIS  77          1HB       HIS  77  -1.861   2.111 -18.218
  595    HD1  HIS  77          1HD       HIS  77  -5.380   3.282 -17.379
  596    HD2  HIS  77          2HD       HIS  77  -3.021   2.304 -20.656
  597    HE1  HIS  77          1HE       HIS  77  -6.911   3.405 -19.369
  598    HE2  HIS  77          2HE       HIS  77  -5.432   2.932 -21.352
  599    H    ASN  78           H        ASN  78  -0.581   1.719 -16.240
  600    HA   ASN  78           HA       ASN  78   0.032  -0.874 -17.096
  601   1HB   ASN  78          1HB       ASN  78   1.478   1.322 -16.555
  602   2HB   ASN  78          1HB       ASN  78   1.802   0.415 -15.085
  603   1HD2  ASN  78          1HD2      ASN  78   1.845  -2.169 -16.119
  604   2HD2  ASN  78          2HD2      ASN  78   3.213  -2.325 -17.161
  605    H    ARG  79           H        ARG  79  -1.026  -2.592 -16.099
  606    HA   ARG  79           HA       ARG  79  -1.234  -2.723 -13.233
  607   1HB   ARG  79          1HB       ARG  79  -2.166  -4.478 -15.497
  608   2HB   ARG  79          1HB       ARG  79  -2.307  -4.977 -13.821
  609   1HG   ARG  79          1HG       ARG  79  -4.149  -3.774 -13.560
  610   2HG   ARG  79          1HG       ARG  79  -3.311  -2.317 -14.088
  611   1HD   ARG  79          1HD       ARG  79  -3.791  -3.806 -16.412
  612   2HD   ARG  79          1HD       ARG  79  -5.273  -3.911 -15.464
  613    HE   ARG  79           HE       ARG  79  -4.234  -1.595 -16.797
  614   1HH1  ARG  79          1HH1      ARG  79  -6.239  -2.682 -14.151
  615   2HH1  ARG  79          2HH1      ARG  79  -7.161  -1.218 -14.088
  616   1HH2  ARG  79          1HH2      ARG  79  -5.463   0.319 -16.724
  617   2HH2  ARG  79          2HH2      ARG  79  -6.716   0.487 -15.541
  618    H    SER  80           H        SER  80   0.920  -3.736 -15.605
  619    HA   SER  80           HA       SER  80   2.215  -5.836 -14.020
  620   1HB   SER  80          1HB       SER  80   3.776  -5.948 -15.974
  621   2HB   SER  80          1HB       SER  80   2.088  -6.137 -16.452
  622    HG   SER  80           HG       SER  80   2.072  -4.037 -17.178
  623    H    GLU  81           H        GLU  81   2.238  -2.476 -14.110
  624    HA   GLU  81           HA       GLU  81   5.076  -2.169 -13.670
  625   1HB   GLU  81          1HB       GLU  81   3.326  -0.369 -14.469
  626   2HB   GLU  81          1HB       GLU  81   3.157  -0.083 -12.741
  627   1HG   GLU  81          1HG       GLU  81   4.781   1.435 -13.693
  628   2HG   GLU  81          1HG       GLU  81   5.564   0.318 -12.576
  629    H    GLU  82           H        GLU  82   6.135  -2.541 -11.736
  630    HA   GLU  82           HA       GLU  82   4.724  -3.483  -9.470
  631   1HB   GLU  82          1HB       GLU  82   7.609  -2.617  -9.504
  632   2HB   GLU  82          1HB       GLU  82   6.845  -3.783  -8.436
  633   1HG   GLU  82          1HG       GLU  82   6.411  -4.740 -11.019
  634   2HG   GLU  82          1HG       GLU  82   8.080  -4.180 -10.990
  635    H    PHE  83           H        PHE  83   4.292  -2.565  -7.544
  636    HA   PHE  83           HA       PHE  83   4.844   0.306  -7.312
  637   1HB   PHE  83          1HB       PHE  83   2.333  -1.175  -6.937
  638   2HB   PHE  83          1HB       PHE  83   2.659   0.099  -5.772
  639    HD1  PHE  83          1HD       PHE  83   2.009  -0.660  -9.299
  640    HD2  PHE  83          2HD       PHE  83   2.706   2.402  -6.427
  641    HE1  PHE  83          1HE       PHE  83   1.237   1.021 -10.911
  642    HE2  PHE  83          2HE       PHE  83   1.926   4.090  -8.036
  643    HZ   PHE  83           HZ       PHE  83   1.190   3.400 -10.282
  644    H    LEU  84           H        LEU  84   4.283   1.101  -5.116
  645    HA   LEU  84           HA       LEU  84   5.603  -0.496  -3.000
  646   1HB   LEU  84          1HB       LEU  84   7.129   1.295  -3.822
  647   2HB   LEU  84          1HB       LEU  84   5.934   2.496  -3.399
  648    HG   LEU  84           HG       LEU  84   7.857   2.256  -1.802
  649   1HD1  LEU  84          1HD1      LEU  84   6.379   2.276   0.239
  650   2HD1  LEU  84          2HD1      LEU  84   5.031   1.972  -0.848
  651   3HD1  LEU  84          3HD1      LEU  84   5.988   3.437  -1.027
  652   1HD2  LEU  84          1HD2      LEU  84   8.071   0.436  -0.377
  653   2HD2  LEU  84          2HD2      LEU  84   7.785  -0.296  -1.957
  654   3HD2  LEU  84          3HD2      LEU  84   6.475  -0.195  -0.781
  655    H    ILE  85           H        ILE  85   4.291  -0.812  -1.302
  656    HA   ILE  85           HA       ILE  85   2.095   1.126  -0.937
  657    HB   ILE  85           HB       ILE  85   1.949  -1.881  -0.661
  658   1HG1  ILE  85          1HG1      ILE  85   0.403  -0.146  -2.578
  659   2HG1  ILE  85          1HG1      ILE  85   2.019  -0.720  -2.977
  660   1HG2  ILE  85          1HG2      ILE  85   0.373  -1.238   0.893
  661   2HG2  ILE  85          2HG2      ILE  85  -0.611  -1.159  -0.569
  662   3HG2  ILE  85          3HG2      ILE  85   0.076   0.316   0.112
  663   1HD1  ILE  85          1HD1      ILE  85   0.444  -2.199  -3.959
  664   2HD1  ILE  85          2HD1      ILE  85  -0.428  -2.376  -2.436
  665   3HD1  ILE  85          3HD1      ILE  85   1.196  -3.043  -2.606
  666    H    ALA  86           H        ALA  86   2.293   2.156   0.809
  667    HA   ALA  86           HA       ALA  86   3.225   0.884   3.333
  668   1HB   ALA  86          1HB       ALA  86   3.832   2.998   4.233
  669   2HB   ALA  86          2HB       ALA  86   3.003   3.874   2.950
  670   3HB   ALA  86          3HB       ALA  86   4.488   2.990   2.597
  671    H    GLY  87           H        GLY  87   1.541   0.286   4.541
  672   1HA   GLY  87          2HA       GLY  87  -0.665   2.064   5.088
  673   2HA   GLY  87          1HA       GLY  87  -1.134   0.674   4.123
  674    H    LYS  88           H        LYS  88  -2.430   0.742   6.388
  675    HA   LYS  88           HA       LYS  88  -1.125  -1.072   8.260
  676   1HB   LYS  88          1HB       LYS  88  -3.328   0.929   8.786
  677   2HB   LYS  88          1HB       LYS  88  -2.740  -0.230   9.954
  678   1HG   LYS  88          1HG       LYS  88  -0.501   0.887   9.757
  679   2HG   LYS  88          1HG       LYS  88  -1.301   2.147   8.825
  680   1HD   LYS  88          1HD       LYS  88  -2.904   2.374  10.775
  681   2HD   LYS  88          1HD       LYS  88  -1.793   1.344  11.688
  682   1HE   LYS  88          1HE       LYS  88  -1.126   3.508  12.222
  683   2HE   LYS  88          1HE       LYS  88   0.011   2.993  10.975
  684   1HZ   LYS  88          1HZ       LYS  88  -0.547   4.887   9.964
  685   2HZ   LYS  88          2HZ       LYS  88  -1.930   5.113  10.912
  686   3HZ   LYS  88          3HZ       LYS  88  -1.994   4.116   9.548
  687    H    LEU  89           H        LEU  89  -2.340  -2.879   9.040
  688    HA   LEU  89           HA       LEU  89  -4.474  -3.769   7.316
  689   1HB   LEU  89          1HB       LEU  89  -2.626  -4.960   9.298
  690   2HB   LEU  89          1HB       LEU  89  -4.169  -5.764   9.092
  691    HG   LEU  89           HG       LEU  89  -2.054  -5.321   7.027
  692   1HD1  LEU  89          1HD1      LEU  89  -3.273  -7.840   8.109
  693   2HD1  LEU  89          2HD1      LEU  89  -1.700  -7.183   8.559
  694   3HD1  LEU  89          3HD1      LEU  89  -1.984  -7.727   6.910
  695   1HD2  LEU  89          1HD2      LEU  89  -3.530  -5.474   5.394
  696   2HD2  LEU  89          2HD2      LEU  89  -4.823  -5.406   6.589
  697   3HD2  LEU  89          3HD2      LEU  89  -4.174  -6.960   6.081
  698    H    GLN  90           H        GLN  90  -6.519  -4.445   7.970
  699    HA   GLN  90           HA       GLN  90  -7.369  -3.679  10.661
  700   1HB   GLN  90          1HB       GLN  90  -8.779  -3.331   8.036
  701   2HB   GLN  90          1HB       GLN  90  -9.614  -3.215   9.577
  702   1HG   GLN  90          1HG       GLN  90  -7.298  -1.498   8.711
  703   2HG   GLN  90          1HG       GLN  90  -8.995  -1.017   8.695
  704   1HE2  GLN  90          1HE2      GLN  90  -9.831  -0.146  10.474
  705   2HE2  GLN  90          2HE2      GLN  90  -9.057  -0.082  12.017
  706    H    ASP  91           H        ASP  91  -7.827  -5.418  11.812
  707    HA   ASP  91           HA       ASP  91  -8.231  -7.659  12.268
  708   1HB   ASP  91          1HB       ASP  91 -10.622  -6.419  11.018
  709   2HB   ASP  91          1HB       ASP  91 -10.661  -8.167  11.236
  710    H    GLY  92           H        GLY  92  -6.705  -7.292   9.823
  711   1HA   GLY  92          2HA       GLY  92  -5.945  -9.393   8.724
  712   2HA   GLY  92          1HA       GLY  92  -7.639  -9.672   8.350
  713    H    LEU  93           H        LEU  93  -8.608  -7.504   7.367
  714    HA   LEU  93           HA       LEU  93  -7.607  -7.428   4.779
  715   1HB   LEU  93          1HB       LEU  93  -9.511  -5.421   5.949
  716   2HB   LEU  93          1HB       LEU  93  -9.455  -6.031   4.305
  717    HG   LEU  93           HG       LEU  93 -10.129  -7.802   6.639
  718   1HD1  LEU  93          1HD1      LEU  93 -12.256  -6.696   4.884
  719   2HD1  LEU  93          2HD1      LEU  93 -11.652  -5.694   6.202
  720   3HD1  LEU  93          3HD1      LEU  93 -12.351  -7.276   6.546
  721   1HD2  LEU  93          1HD2      LEU  93 -11.380  -8.889   4.608
  722   2HD2  LEU  93          2HD2      LEU  93  -9.662  -9.180   4.884
  723   3HD2  LEU  93          3HD2      LEU  93 -10.172  -8.000   3.686
  724    H    LEU  94           H        LEU  94  -6.543  -6.018   3.597
  725    HA   LEU  94           HA       LEU  94  -4.821  -4.156   4.831
  726   1HB   LEU  94          1HB       LEU  94  -4.256  -5.423   2.801
  727   2HB   LEU  94          1HB       LEU  94  -5.517  -4.579   1.924
  728    HG   LEU  94           HG       LEU  94  -4.229  -2.435   2.452
  729   1HD1  LEU  94          1HD1      LEU  94  -2.821  -3.413   4.216
  730   2HD1  LEU  94          2HD1      LEU  94  -1.873  -2.683   2.919
  731   3HD1  LEU  94          3HD1      LEU  94  -2.052  -4.435   3.002
  732   1HD2  LEU  94          1HD2      LEU  94  -2.543  -2.943   0.635
  733   2HD2  LEU  94          2HD2      LEU  94  -4.233  -3.234   0.233
  734   3HD2  LEU  94          3HD2      LEU  94  -3.180  -4.587   0.636
  735    H    HIS  95           H        HIS  95  -4.744  -1.947   4.522
  736    HA   HIS  95           HA       HIS  95  -7.135  -0.642   3.508
  737   1HB   HIS  95          1HB       HIS  95  -6.135  -0.377   6.331
  738   2HB   HIS  95          1HB       HIS  95  -6.986   0.954   5.552
  739    HD1  HIS  95          1HD       HIS  95  -9.438   0.940   5.976
  740    HD2  HIS  95          2HD       HIS  95  -7.806  -2.876   6.131
  741    HE1  HIS  95          1HE       HIS  95 -11.351  -0.590   6.561
  742    HE2  HIS  95          2HE       HIS  95 -10.351  -2.902   6.572
  743    H    ILE  96           H        ILE  96  -6.736   1.280   2.554
  744    HA   ILE  96           HA       ILE  96  -3.957   2.230   2.752
  745    HB   ILE  96           HB       ILE  96  -5.075   2.811   0.127
  746   1HG1  ILE  96          1HG1      ILE  96  -6.125   0.593   0.391
  747   2HG1  ILE  96          1HG1      ILE  96  -4.842   0.560  -0.817
  748   1HG2  ILE  96          1HG2      ILE  96  -2.545   1.641   1.232
  749   2HG2  ILE  96          2HG2      ILE  96  -2.802   3.220   0.488
  750   3HG2  ILE  96          3HG2      ILE  96  -2.836   1.763  -0.505
  751   1HD1  ILE  96          1HD1      ILE  96  -4.250  -1.299   0.304
  752   2HD1  ILE  96          2HD1      ILE  96  -5.015  -0.775   1.795
  753   3HD1  ILE  96          3HD1      ILE  96  -3.433  -0.143   1.347
  754    H    THR  97           H        THR  97  -3.678   4.341   2.895
  755    HA   THR  97           HA       THR  97  -6.061   6.024   2.661
  756    HB   THR  97           HB       THR  97  -5.353   7.250   4.723
  757    HG1  THR  97          1HG       THR  97  -3.303   6.742   5.113
  758   1HG2  THR  97          1HG2      THR  97  -6.847   4.974   4.586
  759   2HG2  THR  97          2HG2      THR  97  -6.671   6.003   6.007
  760   3HG2  THR  97          3HG2      THR  97  -5.656   4.572   5.822
  761    H    THR  98           H        THR  98  -5.819   8.012   1.938
  762    HA   THR  98           HA       THR  98  -3.552   8.547   0.384
  763    HB   THR  98           HB       THR  98  -4.643  10.499  -0.324
  764    HG1  THR  98          1HG       THR  98  -5.587  11.737   1.026
  765   1HG2  THR  98          1HG2      THR  98  -5.891   8.592  -1.051
  766   2HG2  THR  98          2HG2      THR  98  -7.011   9.886  -0.627
  767   3HG2  THR  98          3HG2      THR  98  -6.773   8.531   0.475
  768    H    CYS  99           H        CYS  99  -3.846   8.835   3.727
  769    HA   CYS  99           HA       CYS  99  -1.982  11.082   3.907
  770   1HB   CYS  99          1HB       CYS  99  -3.608   9.562   5.965
  771   2HB   CYS  99          1HB       CYS  99  -2.429  10.794   6.384
  772    H    SER 100           H        SER 100  -1.505   8.324   2.878
  773    HA   SER 100           HA       SER 100   0.636   7.497   4.724
  774   1HB   SER 100          1HB       SER 100  -1.620   5.968   3.787
  775   2HB   SER 100          1HB       SER 100  -0.132   5.260   3.163
  776    HG   SER 100           HG       SER 100  -1.097   5.360   5.735
  777    H    PHE 101           H        PHE 101   2.449   6.444   3.634
  778    HA   PHE 101           HA       PHE 101   3.063   7.790   1.176
  779   1HB   PHE 101          1HB       PHE 101   4.771   7.434   2.917
  780   2HB   PHE 101          1HB       PHE 101   4.682   5.699   2.620
  781    HD1  PHE 101          1HD       PHE 101   5.292   4.849   0.318
  782    HD2  PHE 101          2HD       PHE 101   6.133   8.811   1.625
  783    HE1  PHE 101          1HE       PHE 101   6.981   5.074  -1.457
  784    HE2  PHE 101          2HE       PHE 101   7.823   9.042  -0.148
  785    HZ   PHE 101           HZ       PHE 101   8.250   7.171  -1.691
  786    H    VAL 102           H        VAL 102   2.236   7.018  -0.750
  787    HA   VAL 102           HA       VAL 102   2.548   4.157  -1.266
  788    HB   VAL 102           HB       VAL 102  -0.097   5.339  -1.996
  789   1HG1  VAL 102          1HG1      VAL 102  -0.721   3.168  -2.335
  790   2HG1  VAL 102          2HG1      VAL 102   0.386   2.538  -1.129
  791   3HG1  VAL 102          3HG1      VAL 102   0.995   3.055  -2.700
  792   1HG2  VAL 102          1HG2      VAL 102   0.495   5.509   0.586
  793   2HG2  VAL 102          2HG2      VAL 102   0.097   3.795   0.543
  794   3HG2  VAL 102          3HG2      VAL 102  -1.093   4.990   0.035
  795    H    ALA 103           H        ALA 103   3.832   4.203  -3.007
  796    HA   ALA 103           HA       ALA 103   2.766   5.228  -5.499
  797   1HB   ALA 103          1HB       ALA 103   4.372   6.944  -4.048
  798   2HB   ALA 103          2HB       ALA 103   4.006   7.060  -5.769
  799   3HB   ALA 103          3HB       ALA 103   5.474   6.242  -5.232
  800    HA   PRO 104           HA       PRO 104   5.065   2.098  -7.676
  801   1HB   PRO 104          1HB       PRO 104   6.855   4.113  -8.895
  802   2HB   PRO 104          1HB       PRO 104   5.923   2.828  -9.663
  803   1HG   PRO 104          1HG       PRO 104   5.093   5.366  -9.797
  804   2HG   PRO 104          1HG       PRO 104   3.921   4.057  -9.551
  805   1HD   PRO 104          1HD       PRO 104   4.996   6.036  -7.580
  806   2HD   PRO 104          1HD       PRO 104   3.375   5.326  -7.696
  807    H    TRP 105           H        TRP 105   6.479   0.767  -6.731
  808    HA   TRP 105           HA       TRP 105   8.689   1.431  -5.227
  809   1HB   TRP 105          1HB       TRP 105   7.718  -0.857  -5.615
  810   2HB   TRP 105          1HB       TRP 105   8.469  -0.862  -7.182
  811    HD1  TRP 105           HD       TRP 105  10.481  -2.356  -7.156
  812    HE1  TRP 105          1HE       TRP 105  12.374  -2.891  -5.519
  813    HE3  TRP 105          3HE       TRP 105   9.044   0.614  -3.249
  814    HZ2  TRP 105          2HZ       TRP 105  13.157  -2.164  -2.887
  815    HZ3  TRP 105          3HZ       TRP 105  10.441   0.644  -1.221
  816    HH2  TRP 105           HH       TRP 105  12.458  -0.707  -1.072
  817    H    ASN 106           H        ASN 106   8.366   0.571  -8.564
  818    HA   ASN 106           HA       ASN 106  10.843   0.959  -9.418
  819   1HB   ASN 106          1HB       ASN 106   8.312   1.287 -10.967
  820   2HB   ASN 106          1HB       ASN 106   9.904   1.256 -11.727
  821   1HD2  ASN 106          1HD2      ASN 106  11.239  -0.665 -10.419
  822   2HD2  ASN 106          2HD2      ASN 106  10.452  -2.194 -10.579
  823    H    SER 107           H        SER 107   8.753   3.450  -8.514
  824    HA   SER 107           HA       SER 107  10.245   5.482  -9.951
  825   1HB   SER 107          1HB       SER 107   7.727   5.611  -9.622
  826   2HB   SER 107          1HB       SER 107   8.060   5.951  -7.924
  827    HG   SER 107           HG       SER 107   9.227   7.474  -9.994
  828    H    LEU 108           H        LEU 108  10.612   3.788  -7.278
  829    HA   LEU 108           HA       LEU 108  11.628   5.759  -5.456
  830   1HB   LEU 108          1HB       LEU 108  11.323   2.859  -5.534
  831   2HB   LEU 108          1HB       LEU 108  12.614   3.434  -4.502
  832    HG   LEU 108           HG       LEU 108  11.132   3.788  -2.870
  833   1HD1  LEU 108          1HD1      LEU 108  10.802   6.029  -3.469
  834   2HD1  LEU 108          2HD1      LEU 108   9.187   5.373  -3.229
  835   3HD1  LEU 108          3HD1      LEU 108   9.813   5.602  -4.860
  836   1HD2  LEU 108          1HD2      LEU 108   9.947   1.976  -4.215
  837   2HD2  LEU 108          2HD2      LEU 108   8.824   3.253  -4.673
  838   3HD2  LEU 108          3HD2      LEU 108   9.039   2.834  -2.975
  839    H    SER 109           H        SER 109  13.623   6.015  -4.740
  840    HA   SER 109           HA       SER 109  15.789   6.024  -6.610
  841   1HB   SER 109          1HB       SER 109  16.155   6.090  -3.624
  842   2HB   SER 109          1HB       SER 109  17.121   6.870  -4.868
  843    HG   SER 109           HG       SER 109  14.571   7.596  -3.892
  844    H    LEU 110           H        LEU 110  17.626   4.893  -6.443
  845    HA   LEU 110           HA       LEU 110  17.235   2.092  -6.299
  846   1HB   LEU 110          1HB       LEU 110  19.813   2.233  -6.671
  847   2HB   LEU 110          1HB       LEU 110  18.690   2.670  -7.916
  848    HG   LEU 110           HG       LEU 110  20.819   4.140  -7.175
  849   1HD1  LEU 110          1HD1      LEU 110  19.483   6.011  -8.413
  850   2HD1  LEU 110          2HD1      LEU 110  18.340   4.691  -8.674
  851   3HD1  LEU 110          3HD1      LEU 110  20.001   4.549  -9.250
  852   1HD2  LEU 110          1HD2      LEU 110  20.046   4.979  -5.126
  853   2HD2  LEU 110          2HD2      LEU 110  18.489   5.416  -5.831
  854   3HD2  LEU 110          3HD2      LEU 110  19.939   6.275  -6.308
  855    H    ALA 111           H        ALA 111  18.518   4.520  -4.267
  856    HA   ALA 111           HA       ALA 111  19.637   2.664  -2.390
  857   1HB   ALA 111          1HB       ALA 111  20.727   4.440  -1.487
  858   2HB   ALA 111          2HB       ALA 111  19.341   5.516  -1.710
  859   3HB   ALA 111          3HB       ALA 111  20.384   5.123  -3.084
  860    H    GLN 112           H        GLN 112  16.787   4.669  -2.883
  861    HA   GLN 112           HA       GLN 112  15.778   4.120  -0.245
  862   1HB   GLN 112          1HB       GLN 112  15.470   6.332  -1.297
  863   2HB   GLN 112          1HB       GLN 112  14.644   5.575  -2.648
  864   1HG   GLN 112          1HG       GLN 112  12.871   4.840  -1.124
  865   2HG   GLN 112          1HG       GLN 112  13.685   5.674   0.188
  866   1HE2  GLN 112          1HE2      GLN 112  12.678   6.356  -3.135
  867   2HE2  GLN 112          2HE2      GLN 112  11.994   7.907  -2.801
  868    H    ARG 113           H        ARG 113  16.148   2.530  -3.019
  869    HA   ARG 113           HA       ARG 113  13.658   1.070  -2.858
  870   1HB   ARG 113          1HB       ARG 113  15.377   1.523  -4.995
  871   2HB   ARG 113          1HB       ARG 113  15.739  -0.123  -4.498
  872   1HG   ARG 113          1HG       ARG 113  13.932  -0.835  -5.552
  873   2HG   ARG 113          1HG       ARG 113  12.940   0.156  -4.483
  874   1HD   ARG 113          1HD       ARG 113  12.387   1.446  -6.150
  875   2HD   ARG 113          1HD       ARG 113  14.088   1.860  -6.426
  876    HE   ARG 113           HE       ARG 113  12.478   0.219  -8.057
  877   1HH1  ARG 113          1HH1      ARG 113  15.705   0.369  -6.740
  878   2HH1  ARG 113          2HH1      ARG 113  16.398  -0.591  -8.001
  879   1HH2  ARG 113          1HH2      ARG 113  13.386  -1.040  -9.713
  880   2HH2  ARG 113          2HH2      ARG 113  15.082  -1.388  -9.693
  881    H    ARG 114           H        ARG 114  17.022   1.170  -2.095
  882    HA   ARG 114           HA       ARG 114  17.229  -1.470  -0.984
  883   1HB   ARG 114          1HB       ARG 114  19.068   0.208  -1.877
  884   2HB   ARG 114          1HB       ARG 114  18.993   0.840  -0.238
  885   1HG   ARG 114          1HG       ARG 114  19.383  -2.076  -0.616
  886   2HG   ARG 114          1HG       ARG 114  20.738  -0.987  -0.916
  887   1HD   ARG 114          1HD       ARG 114  19.324  -0.312   1.513
  888   2HD   ARG 114          1HD       ARG 114  19.916  -1.975   1.547
  889    HE   ARG 114           HE       ARG 114  22.061  -1.166   1.699
  890   1HH1  ARG 114          1HH1      ARG 114  19.927   1.447   0.802
  891   2HH1  ARG 114          2HH1      ARG 114  21.148   2.661   0.943
  892   1HH2  ARG 114          1HH2      ARG 114  23.655   0.449   1.940
  893   2HH2  ARG 114          2HH2      ARG 114  23.255   2.100   1.602
  894    H    GLY 115           H        GLY 115  17.302   1.813   0.359
  895   1HA   GLY 115          2HA       GLY 115  17.250   1.313   3.014
  896   2HA   GLY 115          1HA       GLY 115  16.432   2.687   2.304
  897    H    PHE 116           H        PHE 116  14.403   1.107   0.884
  898    HA   PHE 116           HA       PHE 116  12.753   0.695   3.209
  899   1HB   PHE 116          1HB       PHE 116  12.283   0.687   0.256
  900   2HB   PHE 116          1HB       PHE 116  11.137  -0.193   1.250
  901    HD1  PHE 116          1HD       PHE 116  11.965   2.881  -0.183
  902    HD2  PHE 116          2HD       PHE 116  10.092   1.158   3.223
  903    HE1  PHE 116          1HE       PHE 116  10.714   4.965   0.171
  904    HE2  PHE 116          2HE       PHE 116   8.836   3.244   3.588
  905    HZ   PHE 116           HZ       PHE 116   9.143   5.144   2.058
  906    H    THR 117           H        THR 117  14.750  -1.174   1.316
  907    HA   THR 117           HA       THR 117  13.399  -3.667   1.972
  908    HB   THR 117           HB       THR 117  14.712  -2.894  -0.304
  909    HG1  THR 117          1HG       THR 117  14.076  -5.413   0.757
  910   1HG2  THR 117          1HG2      THR 117  16.613  -4.655  -0.368
  911   2HG2  THR 117          2HG2      THR 117  16.694  -4.358   1.366
  912   3HG2  THR 117          3HG2      THR 117  16.930  -3.029   0.232
  913    H    LYS 118           H        LYS 118  15.795  -1.551   3.123
  914    HA   LYS 118           HA       LYS 118  16.671  -3.601   5.016
  915   1HB   LYS 118          1HB       LYS 118  18.883  -3.422   4.496
  916   2HB   LYS 118          1HB       LYS 118  18.230  -2.930   2.948
  917   1HG   LYS 118          1HG       LYS 118  19.206  -0.971   3.077
  918   2HG   LYS 118          1HG       LYS 118  18.473  -0.636   4.619
  919   1HD   LYS 118          1HD       LYS 118  20.260  -1.851   5.747
  920   2HD   LYS 118          1HD       LYS 118  21.013  -2.176   4.183
  921   1HE   LYS 118          1HE       LYS 118  20.840   0.445   3.943
  922   2HE   LYS 118          1HE       LYS 118  20.807   0.377   5.705
  923   1HZ   LYS 118          1HZ       LYS 118  22.976   0.007   5.754
  924   2HZ   LYS 118          2HZ       LYS 118  23.032   0.298   4.088
  925   3HZ   LYS 118          3HZ       LYS 118  22.862  -1.283   4.664
  926    H    THR 119           H        THR 119  16.710  -0.147   4.287
  927    HA   THR 119           HA       THR 119  17.667   0.452   6.917
  928    HB   THR 119           HB       THR 119  17.046   2.722   5.235
  929    HG1  THR 119          1HG       THR 119  17.382   1.215   3.593
  930   1HG2  THR 119          1HG2      THR 119  19.827   2.035   5.427
  931   2HG2  THR 119          2HG2      THR 119  19.070   1.929   7.019
  932   3HG2  THR 119          3HG2      THR 119  18.983   3.434   6.099
  933    H    TYR 120           H        TYR 120  14.339   0.815   5.643
  934    HA   TYR 120           HA       TYR 120  14.089   2.952   7.570
  935   1HB   TYR 120          1HB       TYR 120  11.967   1.932   5.705
  936   2HB   TYR 120          1HB       TYR 120  12.000   3.430   6.607
  937    HD1  TYR 120          1HD       TYR 120  11.365   3.753   3.926
  938    HD2  TYR 120          2HD       TYR 120  15.240   3.307   5.615
  939    HE1  TYR 120          1HE       TYR 120  12.335   4.956   2.018
  940    HE2  TYR 120          2HE       TYR 120  16.216   4.495   3.705
  941    HH   TYR 120           HH       TYR 120  14.413   6.302   1.562
  942    H    THR 121           H        THR 121  14.427   0.136   8.338
  943    HA   THR 121           HA       THR 121  11.914  -0.445   9.701
  944    HB   THR 121           HB       THR 121  12.385  -2.579   9.296
  945    HG1  THR 121          1HG       THR 121  14.773  -3.188  10.002
  946   1HG2  THR 121          1HG2      THR 121  15.087  -2.423   8.235
  947   2HG2  THR 121          2HG2      THR 121  13.983  -1.271   7.484
  948   3HG2  THR 121          3HG2      THR 121  13.599  -2.988   7.477
  949    H    VAL 122           H        VAL 122  15.063   0.413  10.145
  950    HA   VAL 122           HA       VAL 122  14.858   0.586  13.088
  951    HB   VAL 122           HB       VAL 122  17.488   0.164  11.715
  952   1HG1  VAL 122          1HG1      VAL 122  18.160  -0.575  13.994
  953   2HG1  VAL 122          2HG1      VAL 122  16.547  -0.151  14.568
  954   3HG1  VAL 122          3HG1      VAL 122  17.617   1.103  13.940
  955   1HG2  VAL 122          1HG2      VAL 122  16.978  -1.968  11.327
  956   2HG2  VAL 122          2HG2      VAL 122  15.382  -1.754  12.048
  957   3HG2  VAL 122          3HG2      VAL 122  16.755  -2.199  13.061
  958    H    GLY 123           H        GLY 123  15.796   2.071  10.126
  959   1HA   GLY 123          2HA       GLY 123  16.527   4.521  11.606
  960   2HA   GLY 123          1HA       GLY 123  17.305   4.057  10.094
  961    H    CYS 124           H        CYS 124  13.965   3.662  10.843
  962    HA   CYS 124           HA       CYS 124  13.020   4.745   8.457
  963   1HB   CYS 124          1HB       CYS 124  10.808   4.830   9.892
  964   2HB   CYS 124          1HB       CYS 124  11.540   3.359   9.316
  965    H    GLU 125           H        GLU 125  14.665   6.757   9.343
  966    HA   GLU 125           HA       GLU 125  12.706   8.902   9.818
  967   1HB   GLU 125          1HB       GLU 125  14.940   9.956  10.921
  968   2HB   GLU 125          1HB       GLU 125  13.774   9.016  11.857
  969   1HG   GLU 125          1HG       GLU 125  15.082   6.980  11.369
  970   2HG   GLU 125          1HG       GLU 125  16.291   8.005  10.578
  971    H    GLU 126           H        GLU 126  12.560   9.232   7.708
  972    HA   GLU 126           HA       GLU 126  14.087   9.309   5.656
  973   1HB   GLU 126          1HB       GLU 126  11.901  10.897   6.426
  974   2HB   GLU 126          1HB       GLU 126  13.052  11.964   5.626
  975   1HG   GLU 126          1HG       GLU 126  13.097   9.859   3.959
  976   2HG   GLU 126          1HG       GLU 126  11.454   9.762   4.571
  Start of MODEL   16
    1   1H    CYS   1          1HT       CYS   1 -10.408  12.583   6.562
    2   2H    CYS   1          2HT       CYS   1  -9.598  13.381   5.282
    3   3H    CYS   1          3HT       CYS   1  -9.521  14.013   6.871
    4    HA   CYS   1           HA       CYS   1  -7.929  12.671   7.498
    5   1HB   CYS   1          1HB       CYS   1  -8.418  10.480   7.641
    6   2HB   CYS   1          1HB       CYS   1  -9.845  10.783   6.672
    7    H    THR   2           H        THR   2  -8.771  12.449   4.087
    8    HA   THR   2           HA       THR   2  -6.318  11.681   3.154
    9    HB   THR   2           HB       THR   2  -8.234  11.553   1.725
   10    HG1  THR   2          1HG       THR   2  -5.996  12.836   0.918
   11   1HG2  THR   2          1HG2      THR   2  -8.860  14.088   2.657
   12   2HG2  THR   2          2HG2      THR   2  -9.745  13.140   1.460
   13   3HG2  THR   2          3HG2      THR   2  -8.521  14.300   0.941
   14    H    CYS   3           H        CYS   3  -4.452  12.671   3.599
   15    HA   CYS   3           HA       CYS   3  -4.252  15.598   3.428
   16   1HB   CYS   3          1HB       CYS   3  -2.235  15.359   4.813
   17   2HB   CYS   3          1HB       CYS   3  -3.600  14.572   5.585
   18    H    VAL   4           H        VAL   4  -1.552  15.871   3.059
   19    HA   VAL   4           HA       VAL   4  -1.246  15.024   0.270
   20    HB   VAL   4           HB       VAL   4   0.319  16.808   0.029
   21   1HG1  VAL   4          1HG1      VAL   4  -1.410  18.346   1.774
   22   2HG1  VAL   4          2HG1      VAL   4  -2.297  17.197   0.772
   23   3HG1  VAL   4          3HG1      VAL   4  -1.238  18.388   0.019
   24   1HG2  VAL   4          1HG2      VAL   4   1.035  18.200   1.946
   25   2HG2  VAL   4          2HG2      VAL   4   1.624  16.539   2.029
   26   3HG2  VAL   4          3HG2      VAL   4   0.263  17.043   3.031
   27    HA   PRO   5           HA       PRO   5   2.125  12.131   0.276
   28   1HB   PRO   5          1HB       PRO   5   3.900  14.515  -0.172
   29   2HB   PRO   5          1HB       PRO   5   4.010  12.897  -0.883
   30   1HG   PRO   5          1HG       PRO   5   2.853  14.872  -2.235
   31   2HG   PRO   5          1HG       PRO   5   2.177  13.233  -2.268
   32   1HD   PRO   5          1HD       PRO   5   1.131  15.660  -0.969
   33   2HD   PRO   5          1HD       PRO   5   0.272  14.197  -1.454
   34    HA   PRO   6           HA       PRO   6   3.491  12.918   4.490
   35   1HB   PRO   6          1HB       PRO   6   2.784  10.403   5.352
   36   2HB   PRO   6          1HB       PRO   6   1.713  11.803   5.314
   37   1HG   PRO   6          1HG       PRO   6   1.546   9.420   3.743
   38   2HG   PRO   6          1HG       PRO   6   0.502  10.845   3.669
   39   1HD   PRO   6          1HD       PRO   6   2.792  10.103   1.940
   40   2HD   PRO   6          1HD       PRO   6   1.377  11.111   1.581
   41    H    HIS   7           H        HIS   7   5.608  12.839   5.073
   42    HA   HIS   7           HA       HIS   7   7.655  11.620   4.107
   43   1HB   HIS   7          1HB       HIS   7   6.962  12.063   6.981
   44   2HB   HIS   7          1HB       HIS   7   8.494  11.334   6.536
   45    HD1  HIS   7          1HD       HIS   7   6.583  14.541   6.250
   46    HD2  HIS   7          2HD       HIS   7  10.383  13.060   5.458
   47    HE1  HIS   7          1HE       HIS   7   7.998  16.558   5.745
   48    HE2  HIS   7          2HE       HIS   7  10.272  15.629   5.179
   49    HA   PRO   8           HA       PRO   8   7.117   7.190   4.116
   50   1HB   PRO   8          1HB       PRO   8   9.634   6.621   3.312
   51   2HB   PRO   8          1HB       PRO   8   8.407   7.216   2.189
   52   1HG   PRO   8          1HG       PRO   8  10.494   8.754   3.672
   53   2HG   PRO   8          1HG       PRO   8  10.113   8.823   1.944
   54   1HD   PRO   8          1HD       PRO   8   9.177  10.679   3.617
   55   2HD   PRO   8          1HD       PRO   8   8.135  10.018   2.336
   56    H    GLN   9           H        GLN   9   9.368   9.135   5.876
   57    HA   GLN   9           HA       GLN   9  10.651   7.096   7.359
   58   1HB   GLN   9          1HB       GLN   9  11.120   8.950   8.966
   59   2HB   GLN   9          1HB       GLN   9  11.595   9.331   7.325
   60   1HG   GLN   9          1HG       GLN   9   9.749  10.759   7.029
   61   2HG   GLN   9          1HG       GLN   9   9.009  10.218   8.534
   62   1HE2  GLN   9          1HE2      GLN   9  10.528  10.508  10.474
   63   2HE2  GLN   9          2HE2      GLN   9  11.310  12.044  10.588
   64    H    THR  10           H        THR  10   7.639   8.861   7.571
   65    HA   THR  10           HA       THR  10   7.020   7.664  10.124
   66    HB   THR  10           HB       THR  10   6.066   9.971   8.509
   67    HG1  THR  10          1HG       THR  10   6.305  10.993  10.385
   68   1HG2  THR  10          1HG2      THR  10   3.897   9.787   8.830
   69   2HG2  THR  10          2HG2      THR  10   4.162   9.648  10.570
   70   3HG2  THR  10          3HG2      THR  10   4.119   8.200   9.568
   71    H    ALA  11           H        ALA  11   6.090   7.724   6.689
   72    HA   ALA  11           HA       ALA  11   3.801   6.109   6.853
   73   1HB   ALA  11          1HB       ALA  11   5.547   6.055   4.452
   74   2HB   ALA  11          2HB       ALA  11   4.789   7.573   4.935
   75   3HB   ALA  11          3HB       ALA  11   3.792   6.164   4.575
   76    H    PHE  12           H        PHE  12   7.223   5.239   6.649
   77    HA   PHE  12           HA       PHE  12   6.672   2.510   6.008
   78   1HB   PHE  12          1HB       PHE  12   8.916   3.853   5.741
   79   2HB   PHE  12          1HB       PHE  12   9.199   3.347   7.405
   80    HD1  PHE  12          1HD       PHE  12  10.556   1.521   7.607
   81    HD2  PHE  12          2HD       PHE  12   7.914   1.745   4.278
   82    HE1  PHE  12          1HE       PHE  12  11.368  -0.664   6.819
   83    HE2  PHE  12          2HE       PHE  12   8.723  -0.438   3.484
   84    HZ   PHE  12           HZ       PHE  12  10.450  -1.648   4.756
   85    H    CYS  13           H        CYS  13   7.873   4.057   8.908
   86    HA   CYS  13           HA       CYS  13   7.654   1.846  10.577
   87   1HB   CYS  13          1HB       CYS  13   8.250   4.697  10.834
   88   2HB   CYS  13          1HB       CYS  13   7.563   3.978  12.284
   89    H    ASN  14           H        ASN  14   5.434   4.671  10.302
   90    HA   ASN  14           HA       ASN  14   3.757   3.749  12.330
   91   1HB   ASN  14          1HB       ASN  14   3.701   5.864  10.316
   92   2HB   ASN  14          1HB       ASN  14   2.106   5.255  10.726
   93   1HD2  ASN  14          1HD2      ASN  14   1.214   6.602  12.097
   94   2HD2  ASN  14          2HD2      ASN  14   1.966   7.287  13.493
   95    H    SER  15           H        SER  15   3.788   2.885   8.879
   96    HA   SER  15           HA       SER  15   1.198   1.782   8.883
   97   1HB   SER  15          1HB       SER  15   2.885   2.571   6.939
   98   2HB   SER  15          1HB       SER  15   3.067   0.829   6.856
   99    HG   SER  15           HG       SER  15   0.756   2.394   6.479
  100    H    ASP  16           H        ASP  16   0.624  -0.062   8.712
  101    HA   ASP  16           HA       ASP  16   2.012  -2.201  10.046
  102   1HB   ASP  16          1HB       ASP  16  -0.810  -1.501   9.639
  103   2HB   ASP  16          1HB       ASP  16  -0.431  -3.197   9.867
  104    H    LEU  17           H        LEU  17   1.733  -1.403   6.973
  105    HA   LEU  17           HA       LEU  17   2.572  -3.933   6.163
  106   1HB   LEU  17          1HB       LEU  17  -0.265  -3.561   5.794
  107   2HB   LEU  17          1HB       LEU  17   0.559  -3.940   4.285
  108    HG   LEU  17           HG       LEU  17   1.590  -5.622   6.354
  109   1HD1  LEU  17          1HD1      LEU  17  -0.348  -6.847   7.011
  110   2HD1  LEU  17          2HD1      LEU  17  -1.384  -5.797   6.044
  111   3HD1  LEU  17          3HD1      LEU  17  -0.550  -5.153   7.461
  112   1HD2  LEU  17          1HD2      LEU  17   1.361  -5.909   3.780
  113   2HD2  LEU  17          2HD2      LEU  17  -0.222  -6.578   4.182
  114   3HD2  LEU  17          3HD2      LEU  17   1.239  -7.316   4.836
  115    H    VAL  18           H        VAL  18   4.102  -3.612   4.835
  116    HA   VAL  18           HA       VAL  18   3.871  -1.523   2.786
  117    HB   VAL  18           HB       VAL  18   6.442  -2.100   4.232
  118   1HG1  VAL  18          1HG1      VAL  18   6.538   0.458   3.285
  119   2HG1  VAL  18          2HG1      VAL  18   5.573  -0.368   2.060
  120   3HG1  VAL  18          3HG1      VAL  18   7.179  -0.970   2.471
  121   1HG2  VAL  18          1HG2      VAL  18   6.132  -0.371   5.758
  122   2HG2  VAL  18          2HG2      VAL  18   4.548  -1.147   5.731
  123   3HG2  VAL  18          3HG2      VAL  18   4.814   0.346   4.831
  124    H    ILE  19           H        ILE  19   4.203  -2.421   0.844
  125    HA   ILE  19           HA       ILE  19   6.076  -4.639   0.614
  126    HB   ILE  19           HB       ILE  19   4.430  -6.026  -0.472
  127   1HG1  ILE  19          1HG1      ILE  19   2.070  -4.431   0.173
  128   2HG1  ILE  19          1HG1      ILE  19   3.104  -3.648  -1.016
  129   1HG2  ILE  19          1HG2      ILE  19   4.558  -5.638   2.143
  130   2HG2  ILE  19          2HG2      ILE  19   3.399  -6.731   1.426
  131   3HG2  ILE  19          3HG2      ILE  19   2.899  -5.112   1.896
  132   1HD1  ILE  19          1HD1      ILE  19   3.005  -6.212  -1.935
  133   2HD1  ILE  19          2HD1      ILE  19   2.003  -4.876  -2.498
  134   3HD1  ILE  19          3HD1      ILE  19   1.388  -5.981  -1.271
  135    H    ARG  20           H        ARG  20   5.473  -5.428  -1.915
  136    HA   ARG  20           HA       ARG  20   5.572  -3.100  -3.584
  137   1HB   ARG  20          1HB       ARG  20   7.294  -4.360  -5.020
  138   2HB   ARG  20          1HB       ARG  20   7.888  -3.538  -3.585
  139   1HG   ARG  20          1HG       ARG  20   8.069  -5.576  -2.397
  140   2HG   ARG  20          1HG       ARG  20   7.220  -6.463  -3.663
  141   1HD   ARG  20          1HD       ARG  20   9.938  -5.175  -3.837
  142   2HD   ARG  20          1HD       ARG  20   9.572  -6.896  -3.884
  143    HE   ARG  20           HE       ARG  20   9.008  -4.953  -6.018
  144   1HH1  ARG  20          1HH1      ARG  20   9.174  -8.269  -4.932
  145   2HH1  ARG  20          2HH1      ARG  20   9.220  -8.927  -6.530
  146   1HH2  ARG  20          1HH2      ARG  20   9.033  -5.826  -8.130
  147   2HH2  ARG  20          2HH2      ARG  20   9.131  -7.542  -8.342
  148    H    ALA  21           H        ALA  21   4.093  -3.370  -5.002
  149    HA   ALA  21           HA       ALA  21   3.441  -5.952  -6.173
  150   1HB   ALA  21          1HB       ALA  21   2.161  -6.352  -4.303
  151   2HB   ALA  21          2HB       ALA  21   0.988  -5.766  -5.483
  152   3HB   ALA  21          3HB       ALA  21   1.583  -4.689  -4.222
  153    H    LYS  22           H        LYS  22   1.593  -5.966  -7.528
  154    HA   LYS  22           HA       LYS  22   1.442  -3.575  -9.229
  155   1HB   LYS  22          1HB       LYS  22   1.452  -6.490  -9.635
  156   2HB   LYS  22          1HB       LYS  22   0.366  -5.609 -10.683
  157   1HG   LYS  22          1HG       LYS  22   2.064  -4.960 -11.963
  158   2HG   LYS  22          1HG       LYS  22   2.974  -4.398 -10.567
  159   1HD   LYS  22          1HD       LYS  22   3.955  -6.285 -12.058
  160   2HD   LYS  22          1HD       LYS  22   4.098  -6.395 -10.315
  161   1HE   LYS  22          1HE       LYS  22   2.992  -8.327 -10.302
  162   2HE   LYS  22          1HE       LYS  22   1.644  -7.603 -11.165
  163   1HZ   LYS  22          1HZ       LYS  22   4.007  -8.259 -12.735
  164   2HZ   LYS  22          2HZ       LYS  22   2.370  -8.381 -13.145
  165   3HZ   LYS  22          3HZ       LYS  22   3.085  -9.562 -12.172
  166    H    PHE  23           H        PHE  23  -0.630  -2.821  -9.903
  167    HA   PHE  23           HA       PHE  23  -2.893  -3.865  -8.324
  168   1HB   PHE  23          1HB       PHE  23  -2.425  -1.248  -9.765
  169   2HB   PHE  23          1HB       PHE  23  -4.036  -1.753  -9.267
  170    HD1  PHE  23          1HD       PHE  23  -0.720  -0.726  -8.110
  171    HD2  PHE  23          2HD       PHE  23  -4.690  -1.726  -6.965
  172    HE1  PHE  23          1HE       PHE  23  -0.294   0.174  -5.852
  173    HE2  PHE  23          2HE       PHE  23  -4.273  -0.829  -4.714
  174    HZ   PHE  23           HZ       PHE  23  -2.068   0.123  -4.156
  175    H    VAL  24           H        VAL  24  -4.119  -5.153  -9.106
  176    HA   VAL  24           HA       VAL  24  -4.241  -5.475 -11.984
  177    HB   VAL  24           HB       VAL  24  -5.046  -7.764 -11.300
  178   1HG1  VAL  24          1HG1      VAL  24  -2.364  -7.559 -10.287
  179   2HG1  VAL  24          2HG1      VAL  24  -2.627  -6.809 -11.852
  180   3HG1  VAL  24          3HG1      VAL  24  -3.002  -8.514 -11.618
  181   1HG2  VAL  24          1HG2      VAL  24  -3.761  -8.088  -8.905
  182   2HG2  VAL  24          2HG2      VAL  24  -5.492  -8.203  -9.207
  183   3HG2  VAL  24          3HG2      VAL  24  -4.790  -6.675  -8.688
  184    H    GLY  25           H        GLY  25  -6.644  -6.633  -9.597
  185   1HA   GLY  25          2HA       GLY  25  -8.792  -6.190 -11.209
  186   2HA   GLY  25          1HA       GLY  25  -8.889  -6.260  -9.468
  187    H    THR  26           H        THR  26 -10.763  -4.914 -10.403
  188    HA   THR  26           HA       THR  26 -10.054  -2.061 -10.522
  189    HB   THR  26           HB       THR  26 -11.310  -2.899 -12.436
  190    HG1  THR  26          1HG       THR  26 -11.783  -0.794 -11.777
  191   1HG2  THR  26          1HG2      THR  26 -13.586  -3.523 -10.580
  192   2HG2  THR  26          2HG2      THR  26 -12.481  -4.743 -11.208
  193   3HG2  THR  26          3HG2      THR  26 -13.487  -3.813 -12.318
  194    HA   PRO  27           HA       PRO  27 -11.739  -1.151  -6.533
  195   1HB   PRO  27          1HB       PRO  27 -13.057   1.205  -7.020
  196   2HB   PRO  27          1HB       PRO  27 -11.322   1.049  -6.810
  197   1HG   PRO  27          1HG       PRO  27 -12.901   1.206  -9.338
  198   2HG   PRO  27          1HG       PRO  27 -11.378   2.018  -8.923
  199   1HD   PRO  27          1HD       PRO  27 -11.400  -0.151 -10.472
  200   2HD   PRO  27          1HD       PRO  27 -10.114   0.095  -9.284
  201    H    GLU  28           H        GLU  28 -13.299  -2.274  -5.625
  202    HA   GLU  28           HA       GLU  28 -15.974  -2.315  -6.803
  203   1HB   GLU  28          1HB       GLU  28 -14.387  -4.150  -5.262
  204   2HB   GLU  28          1HB       GLU  28 -15.924  -3.874  -4.452
  205   1HG   GLU  28          1HG       GLU  28 -16.753  -4.198  -6.994
  206   2HG   GLU  28          1HG       GLU  28 -15.332  -5.243  -6.977
  207    H    VAL  29           H        VAL  29 -17.427  -0.844  -6.156
  208    HA   VAL  29           HA       VAL  29 -17.041   0.328  -3.494
  209    HB   VAL  29           HB       VAL  29 -18.703   1.590  -5.628
  210   1HG1  VAL  29          1HG1      VAL  29 -18.653   3.479  -4.370
  211   2HG1  VAL  29          2HG1      VAL  29 -17.095   3.093  -3.650
  212   3HG1  VAL  29          3HG1      VAL  29 -18.547   2.269  -3.090
  213   1HG2  VAL  29          1HG2      VAL  29 -16.941   2.221  -6.839
  214   2HG2  VAL  29          2HG2      VAL  29 -16.003   1.025  -5.946
  215   3HG2  VAL  29          3HG2      VAL  29 -16.045   2.699  -5.402
  216    H    ASN  30           H        ASN  30 -18.413  -0.849  -1.990
  217    HA   ASN  30           HA       ASN  30 -21.106  -1.432  -2.748
  218   1HB   ASN  30          1HB       ASN  30 -19.641  -2.398  -0.737
  219   2HB   ASN  30          1HB       ASN  30 -20.485  -1.131   0.145
  220   1HD2  ASN  30          1HD2      ASN  30 -22.447  -1.546   0.895
  221   2HD2  ASN  30          2HD2      ASN  30 -23.449  -2.862   0.403
  222    H    GLN  31           H        GLN  31 -22.972  -0.511  -1.838
  223    HA   GLN  31           HA       GLN  31 -22.893   2.399  -1.836
  224   1HB   GLN  31          1HB       GLN  31 -25.266   0.541  -1.574
  225   2HB   GLN  31          1HB       GLN  31 -25.339   2.268  -1.919
  226   1HG   GLN  31          1HG       GLN  31 -23.951   0.317  -3.718
  227   2HG   GLN  31          1HG       GLN  31 -25.671   0.678  -3.859
  228   1HE2  GLN  31          1HE2      GLN  31 -22.442   1.907  -4.206
  229   2HE2  GLN  31          2HE2      GLN  31 -22.853   3.316  -5.116
  230    H    THR  32           H        THR  32 -22.747  -0.085   0.430
  231    HA   THR  32           HA       THR  32 -23.443   1.763   2.587
  232    HB   THR  32           HB       THR  32 -24.801  -0.714   1.688
  233    HG1  THR  32          1HG       THR  32 -25.955   1.069   3.471
  234   1HG2  THR  32          1HG2      THR  32 -24.985  -0.245   4.623
  235   2HG2  THR  32          2HG2      THR  32 -23.747  -1.324   3.984
  236   3HG2  THR  32          3HG2      THR  32 -25.443  -1.657   3.671
  237    H    THR  33           H        THR  33 -20.905   1.039   1.673
  238    HA   THR  33           HA       THR  33 -19.951  -0.851   3.687
  239    HB   THR  33           HB       THR  33 -18.906  -1.475   1.755
  240    HG1  THR  33          1HG       THR  33 -17.282   0.434   2.896
  241   1HG2  THR  33          1HG2      THR  33 -18.444  -0.272  -0.156
  242   2HG2  THR  33          2HG2      THR  33 -18.391   1.253   0.724
  243   3HG2  THR  33          3HG2      THR  33 -19.933   0.463   0.425
  244    H    LEU  34           H        LEU  34 -19.362   2.288   2.139
  245    HA   LEU  34           HA       LEU  34 -18.707   4.232   3.287
  246   1HB   LEU  34          1HB       LEU  34 -18.417   2.322   5.493
  247   2HB   LEU  34          1HB       LEU  34 -17.202   3.545   5.422
  248    HG   LEU  34           HG       LEU  34 -20.174   4.043   5.512
  249   1HD1  LEU  34          1HD1      LEU  34 -20.130   3.974   7.722
  250   2HD1  LEU  34          2HD1      LEU  34 -18.725   5.036   7.787
  251   3HD1  LEU  34          3HD1      LEU  34 -18.508   3.291   7.624
  252   1HD2  LEU  34          1HD2      LEU  34 -19.782   6.205   5.143
  253   2HD2  LEU  34          2HD2      LEU  34 -18.194   5.693   4.553
  254   3HD2  LEU  34          3HD2      LEU  34 -18.391   6.230   6.225
  255    H    TYR  35           H        TYR  35 -17.173   1.340   2.591
  256    HA   TYR  35           HA       TYR  35 -14.700   2.640   1.757
  257   1HB   TYR  35          1HB       TYR  35 -13.606   0.338   2.333
  258   2HB   TYR  35          1HB       TYR  35 -13.769   1.582   3.541
  259    HD1  TYR  35          1HD       TYR  35 -14.562  -1.766   2.652
  260    HD2  TYR  35          2HD       TYR  35 -15.631   1.488   5.151
  261    HE1  TYR  35          1HE       TYR  35 -15.702  -3.322   4.175
  262    HE2  TYR  35          2HE       TYR  35 -16.772  -0.028   6.675
  263    HH   TYR  35           HH       TYR  35 -17.619  -3.138   5.908
  264    H    GLN  36           H        GLN  36 -13.326   1.048   0.341
  265    HA   GLN  36           HA       GLN  36 -15.091  -0.447  -1.425
  266   1HB   GLN  36          1HB       GLN  36 -13.181   1.810  -2.008
  267   2HB   GLN  36          1HB       GLN  36 -13.778   0.724  -3.264
  268   1HG   GLN  36          1HG       GLN  36 -15.909   1.579  -3.126
  269   2HG   GLN  36          1HG       GLN  36 -15.655   2.223  -1.506
  270   1HE2  GLN  36          1HE2      GLN  36 -14.221   2.550  -4.752
  271   2HE2  GLN  36          2HE2      GLN  36 -14.132   4.276  -4.721
  272    H    ARG  37           H        ARG  37 -13.604  -1.745  -2.967
  273    HA   ARG  37           HA       ARG  37 -10.985  -2.174  -1.757
  274   1HB   ARG  37          1HB       ARG  37 -11.268  -4.640  -1.950
  275   2HB   ARG  37          1HB       ARG  37 -12.274  -3.876  -0.729
  276   1HG   ARG  37          1HG       ARG  37 -14.194  -3.991  -2.210
  277   2HG   ARG  37          1HG       ARG  37 -13.190  -4.714  -3.471
  278   1HD   ARG  37          1HD       ARG  37 -12.645  -6.426  -1.516
  279   2HD   ARG  37          1HD       ARG  37 -14.225  -5.891  -0.947
  280    HE   ARG  37           HE       ARG  37 -15.202  -6.762  -2.917
  281   1HH1  ARG  37          1HH1      ARG  37 -11.785  -7.481  -2.666
  282   2HH1  ARG  37          2HH1      ARG  37 -11.854  -8.768  -3.819
  283   1HH2  ARG  37          1HH2      ARG  37 -15.278  -8.442  -4.432
  284   2HH2  ARG  37          2HH2      ARG  37 -13.833  -9.313  -4.823
  285    H    TYR  38           H        TYR  38  -9.447  -3.126  -3.024
  286    HA   TYR  38           HA       TYR  38  -9.966  -3.232  -5.930
  287   1HB   TYR  38          1HB       TYR  38  -7.532  -2.014  -4.602
  288   2HB   TYR  38          1HB       TYR  38  -7.708  -2.279  -6.320
  289    HD1  TYR  38          1HD       TYR  38  -9.891  -0.643  -3.708
  290    HD2  TYR  38          2HD       TYR  38  -7.875  -0.347  -7.433
  291    HE1  TYR  38          1HE       TYR  38 -10.735   1.659  -3.980
  292    HE2  TYR  38          2HE       TYR  38  -8.706   1.941  -7.724
  293    HH   TYR  38           HH       TYR  38 -10.622   3.538  -5.215
  294    H    GLU  39           H        GLU  39  -8.631  -4.740  -7.047
  295    HA   GLU  39           HA       GLU  39  -7.394  -6.734  -5.313
  296   1HB   GLU  39          1HB       GLU  39  -7.832  -7.001  -8.279
  297   2HB   GLU  39          1HB       GLU  39  -7.657  -8.277  -7.092
  298   1HG   GLU  39          1HG       GLU  39  -9.854  -7.485  -6.119
  299   2HG   GLU  39          1HG       GLU  39 -10.027  -6.496  -7.565
  300    H    ILE  40           H        ILE  40  -5.249  -7.315  -5.518
  301    HA   ILE  40           HA       ILE  40  -3.644  -5.671  -7.353
  302    HB   ILE  40           HB       ILE  40  -1.820  -5.896  -5.569
  303   1HG1  ILE  40          1HG1      ILE  40  -3.810  -7.359  -4.268
  304   2HG1  ILE  40          1HG1      ILE  40  -2.275  -6.832  -3.594
  305   1HG2  ILE  40          1HG2      ILE  40  -2.456  -3.820  -4.561
  306   2HG2  ILE  40          2HG2      ILE  40  -4.160  -4.116  -4.900
  307   3HG2  ILE  40          3HG2      ILE  40  -3.039  -3.809  -6.226
  308   1HD1  ILE  40          1HD1      ILE  40  -3.395  -4.731  -2.870
  309   2HD1  ILE  40          2HD1      ILE  40  -4.012  -6.191  -2.098
  310   3HD1  ILE  40          3HD1      ILE  40  -4.924  -5.428  -3.401
  311    H    LYS  41           H        LYS  41  -1.469  -6.546  -7.702
  312    HA   LYS  41           HA       LYS  41  -1.536  -9.458  -7.879
  313   1HB   LYS  41          1HB       LYS  41  -1.144  -7.867 -10.003
  314   2HB   LYS  41          1HB       LYS  41   0.492  -7.905  -9.401
  315   1HG   LYS  41          1HG       LYS  41   0.377  -9.609 -11.012
  316   2HG   LYS  41          1HG       LYS  41   0.343 -10.419  -9.448
  317   1HD   LYS  41          1HD       LYS  41  -2.200  -9.754 -10.884
  318   2HD   LYS  41          1HD       LYS  41  -1.279 -11.189 -11.307
  319   1HE   LYS  41          1HE       LYS  41  -1.678 -10.914  -8.439
  320   2HE   LYS  41          1HE       LYS  41  -3.194 -11.002  -9.333
  321   1HZ   LYS  41          1HZ       LYS  41  -0.968 -12.944  -9.647
  322   2HZ   LYS  41          2HZ       LYS  41  -2.525 -13.064 -10.298
  323   3HZ   LYS  41          3HZ       LYS  41  -2.296 -13.191  -8.626
  324    H    MET  42           H        MET  42  -0.870  -9.472  -5.614
  325    HA   MET  42           HA       MET  42   1.181  -8.044  -4.513
  326   1HB   MET  42          1HB       MET  42  -0.476  -9.633  -3.417
  327   2HB   MET  42          1HB       MET  42   0.669 -10.913  -3.797
  328   1HG   MET  42          1HG       MET  42   2.103  -8.805  -2.569
  329   2HG   MET  42          1HG       MET  42   0.663  -9.114  -1.607
  330   1HE   MET  42          1HE       MET  42   4.146 -10.247  -2.632
  331   2HE   MET  42          2HE       MET  42   4.460 -11.225  -1.199
  332   3HE   MET  42          3HE       MET  42   3.937  -9.549  -1.027
  333    H    THR  43           H        THR  43   3.232  -7.837  -4.972
  334    HA   THR  43           HA       THR  43   4.558  -9.927  -6.474
  335    HB   THR  43           HB       THR  43   5.853  -7.339  -5.678
  336    HG1  THR  43          1HG       THR  43   3.651  -7.628  -7.233
  337   1HG2  THR  43          1HG2      THR  43   7.230  -7.641  -7.488
  338   2HG2  THR  43          2HG2      THR  43   6.108  -8.708  -8.315
  339   3HG2  THR  43          3HG2      THR  43   7.020  -9.293  -6.922
  340    H    LYS  44           H        LYS  44   5.473  -7.894  -3.651
  341    HA   LYS  44           HA       LYS  44   6.326 -10.192  -2.151
  342   1HB   LYS  44          1HB       LYS  44   8.301  -8.213  -3.265
  343   2HB   LYS  44          1HB       LYS  44   8.618  -9.039  -1.747
  344   1HG   LYS  44          1HG       LYS  44   8.068 -11.174  -3.177
  345   2HG   LYS  44          1HG       LYS  44   8.531 -10.119  -4.513
  346   1HD   LYS  44          1HD       LYS  44  10.275 -10.364  -2.088
  347   2HD   LYS  44          1HD       LYS  44  10.334 -11.584  -3.360
  348   1HE   LYS  44          1HE       LYS  44  11.706 -10.280  -4.514
  349   2HE   LYS  44          1HE       LYS  44  10.438  -9.076  -4.629
  350   1HZ   LYS  44          1HZ       LYS  44  12.417  -8.116  -3.675
  351   2HZ   LYS  44          2HZ       LYS  44  12.437  -9.284  -2.453
  352   3HZ   LYS  44          3HZ       LYS  44  11.188  -8.147  -2.511
  353    H    MET  45           H        MET  45   6.396  -9.729   0.066
  354    HA   MET  45           HA       MET  45   5.293  -7.136   0.799
  355   1HB   MET  45          1HB       MET  45   4.803  -8.194   2.989
  356   2HB   MET  45          1HB       MET  45   4.067  -9.029   1.634
  357   1HG   MET  45          1HG       MET  45   6.698  -9.965   2.638
  358   2HG   MET  45          1HG       MET  45   5.241 -10.353   3.548
  359   1HE   MET  45          1HE       MET  45   7.178 -12.908   1.765
  360   2HE   MET  45          2HE       MET  45   7.672 -11.253   1.411
  361   3HE   MET  45          3HE       MET  45   7.094 -12.297   0.113
  362    H    TYR  46           H        TYR  46   6.345  -5.637   2.029
  363    HA   TYR  46           HA       TYR  46   9.076  -6.255   2.922
  364   1HB   TYR  46          1HB       TYR  46   7.899  -3.836   1.576
  365   2HB   TYR  46          1HB       TYR  46   9.365  -3.705   2.516
  366    HD1  TYR  46          1HD       TYR  46  10.979  -3.162   0.860
  367    HD2  TYR  46          2HD       TYR  46   8.379  -6.482   0.250
  368    HE1  TYR  46          1HE       TYR  46  12.269  -3.808  -1.123
  369    HE2  TYR  46          2HE       TYR  46   9.671  -7.138  -1.728
  370    HH   TYR  46           HH       TYR  46  12.409  -6.554  -2.423
  371    H    LYS  47           H        LYS  47   6.350  -6.206   4.309
  372    HA   LYS  47           HA       LYS  47   7.070  -5.510   6.836
  373   1HB   LYS  47          1HB       LYS  47   6.791  -3.138   5.462
  374   2HB   LYS  47          1HB       LYS  47   5.230  -3.312   6.244
  375   1HG   LYS  47          1HG       LYS  47   7.941  -3.160   7.528
  376   2HG   LYS  47          1HG       LYS  47   6.578  -2.056   7.716
  377   1HD   LYS  47          1HD       LYS  47   6.069  -4.869   8.462
  378   2HD   LYS  47          1HD       LYS  47   7.200  -3.991   9.492
  379   1HE   LYS  47          1HE       LYS  47   5.566  -2.787  10.416
  380   2HE   LYS  47          1HE       LYS  47   4.844  -2.425   8.848
  381   1HZ   LYS  47          1HZ       LYS  47   4.513  -5.079  10.064
  382   2HZ   LYS  47          2HZ       LYS  47   3.547  -4.322   8.913
  383   3HZ   LYS  47          3HZ       LYS  47   3.504  -3.803  10.524
  384    H    GLY  48           H        GLY  48   5.760  -6.892   7.822
  385   1HA   GLY  48          2HA       GLY  48   3.142  -6.805   8.384
  386   2HA   GLY  48          1HA       GLY  48   3.119  -7.495   6.762
  387    H    PHE  49           H        PHE  49   5.957  -8.538   8.062
  388    HA   PHE  49           HA       PHE  49   4.948 -11.163   8.609
  389   1HB   PHE  49          1HB       PHE  49   7.725 -10.169   9.222
  390   2HB   PHE  49          1HB       PHE  49   7.220 -11.807   8.831
  391    HD1  PHE  49          1HD       PHE  49   7.113 -12.553   6.595
  392    HD2  PHE  49          2HD       PHE  49   7.811  -8.440   7.434
  393    HE1  PHE  49          1HE       PHE  49   7.730 -12.181   4.243
  394    HE2  PHE  49          2HE       PHE  49   8.425  -8.060   5.082
  395    HZ   PHE  49           HZ       PHE  49   8.390  -9.933   3.485
  396    H    GLN  50           H        GLN  50   4.591  -8.490  10.208
  397    HA   GLN  50           HA       GLN  50   5.227  -9.557  12.859
  398   1HB   GLN  50          1HB       GLN  50   4.417  -7.304  13.710
  399   2HB   GLN  50          1HB       GLN  50   5.921  -7.278  12.808
  400   1HG   GLN  50          1HG       GLN  50   5.096  -5.697  11.541
  401   2HG   GLN  50          1HG       GLN  50   3.890  -6.817  10.930
  402   1HE2  GLN  50          1HE2      GLN  50   1.893  -7.007  12.358
  403   2HE2  GLN  50          2HE2      GLN  50   1.295  -5.559  13.059
  404    H    ALA  51           H        ALA  51   2.589  -8.007  11.003
  405    HA   ALA  51           HA       ALA  51   0.489  -8.872  12.631
  406   1HB   ALA  51          1HB       ALA  51  -0.687  -8.789  10.206
  407   2HB   ALA  51          2HB       ALA  51   0.770  -7.849   9.881
  408   3HB   ALA  51          3HB       ALA  51  -0.332  -7.352  11.165
  409    H    LEU  52           H        LEU  52   1.831 -10.247   9.647
  410    HA   LEU  52           HA       LEU  52   1.324 -12.943  10.553
  411   1HB   LEU  52          1HB       LEU  52   0.129 -13.223   8.152
  412   2HB   LEU  52          1HB       LEU  52  -0.750 -12.935   9.637
  413    HG   LEU  52           HG       LEU  52  -1.025 -10.609   9.130
  414   1HD1  LEU  52          1HD1      LEU  52   0.347 -10.830   6.512
  415   2HD1  LEU  52          2HD1      LEU  52   1.313 -10.551   7.949
  416   3HD1  LEU  52          3HD1      LEU  52   0.047  -9.409   7.504
  417   1HD2  LEU  52          1HD2      LEU  52  -1.627 -11.464   6.427
  418   2HD2  LEU  52          2HD2      LEU  52  -2.711 -10.988   7.733
  419   3HD2  LEU  52          3HD2      LEU  52  -2.131 -12.650   7.631
  420    H    GLY  53           H        GLY  53   1.386 -12.425   7.140
  421   1HA   GLY  53          2HA       GLY  53   3.142 -12.294   5.642
  422   2HA   GLY  53          1HA       GLY  53   4.267 -12.374   6.983
  423    H    ASP  54           H        ASP  54   1.693 -14.507   5.875
  424    HA   ASP  54           HA       ASP  54   3.310 -16.857   6.179
  425   1HB   ASP  54          1HB       ASP  54   0.525 -16.498   5.067
  426   2HB   ASP  54          1HB       ASP  54   1.292 -18.052   5.377
  427    H    ALA  55           H        ALA  55   1.346 -15.865   3.485
  428    HA   ALA  55           HA       ALA  55   3.590 -16.069   1.652
  429   1HB   ALA  55          1HB       ALA  55   2.628 -18.351   1.731
  430   2HB   ALA  55          2HB       ALA  55   2.430 -17.595   0.150
  431   3HB   ALA  55          3HB       ALA  55   1.065 -17.686   1.262
  432    H    ALA  56           H        ALA  56   0.169 -15.531   2.189
  433    HA   ALA  56           HA       ALA  56   0.232 -13.336   0.201
  434   1HB   ALA  56          1HB       ALA  56  -1.253 -15.448  -0.229
  435   2HB   ALA  56          2HB       ALA  56  -1.881 -13.833  -0.558
  436   3HB   ALA  56          3HB       ALA  56  -2.338 -14.670   0.926
  437    H    ASP  57           H        ASP  57   0.992 -12.064   2.067
  438    HA   ASP  57           HA       ASP  57  -1.019 -11.485   4.083
  439   1HB   ASP  57          1HB       ASP  57   0.701  -9.870   4.942
  440   2HB   ASP  57          1HB       ASP  57   1.236 -11.546   4.892
  441    H    ILE  58           H        ILE  58  -0.898 -10.717   1.018
  442    HA   ILE  58           HA       ILE  58  -2.304  -8.198   1.360
  443    HB   ILE  58           HB       ILE  58  -0.165  -8.209  -0.734
  444   1HG1  ILE  58          1HG1      ILE  58   0.773  -6.714   1.509
  445   2HG1  ILE  58          1HG1      ILE  58   0.442  -8.357   2.035
  446   1HG2  ILE  58          1HG2      ILE  58  -0.272  -5.728  -0.196
  447   2HG2  ILE  58          2HG2      ILE  58  -1.683  -6.119   0.787
  448   3HG2  ILE  58          3HG2      ILE  58  -1.698  -6.446  -0.947
  449   1HD1  ILE  58          1HD1      ILE  58   2.728  -8.134   1.308
  450   2HD1  ILE  58          2HD1      ILE  58   2.188  -7.593  -0.279
  451   3HD1  ILE  58          3HD1      ILE  58   1.840  -9.234   0.264
  452    H    ARG  59           H        ARG  59  -3.997  -8.213  -0.047
  453    HA   ARG  59           HA       ARG  59  -3.636  -9.604  -2.565
  454   1HB   ARG  59          1HB       ARG  59  -5.651 -10.539  -0.540
  455   2HB   ARG  59          1HB       ARG  59  -5.787 -10.917  -2.254
  456   1HG   ARG  59          1HG       ARG  59  -3.194 -11.602  -1.695
  457   2HG   ARG  59          1HG       ARG  59  -4.047 -12.058  -0.219
  458   1HD   ARG  59          1HD       ARG  59  -4.284 -13.969  -1.457
  459   2HD   ARG  59          1HD       ARG  59  -5.751 -13.105  -1.911
  460    HE   ARG  59           HE       ARG  59  -3.682 -12.449  -3.705
  461   1HH1  ARG  59          1HH1      ARG  59  -5.766 -15.112  -2.846
  462   2HH1  ARG  59          2HH1      ARG  59  -5.744 -15.807  -4.432
  463   1HH2  ARG  59          1HH2      ARG  59  -3.649 -13.362  -5.795
  464   2HH2  ARG  59          2HH2      ARG  59  -4.541 -14.813  -6.107
  465    H    PHE  60           H        PHE  60  -5.672  -7.616  -0.609
  466    HA   PHE  60           HA       PHE  60  -6.608  -6.110  -2.875
  467   1HB   PHE  60          1HB       PHE  60  -8.499  -7.262  -0.818
  468   2HB   PHE  60          1HB       PHE  60  -8.934  -6.291  -2.215
  469    HD1  PHE  60          1HD       PHE  60  -9.253  -7.275  -4.326
  470    HD2  PHE  60          2HD       PHE  60  -7.714  -9.599  -1.109
  471    HE1  PHE  60          1HE       PHE  60  -9.634  -9.331  -5.628
  472    HE2  PHE  60          2HE       PHE  60  -8.088 -11.660  -2.407
  473    HZ   PHE  60           HZ       PHE  60  -9.054 -11.523  -4.677
  474    H    VAL  61           H        VAL  61  -7.288  -4.159  -2.348
  475    HA   VAL  61           HA       VAL  61  -6.303  -3.222   0.237
  476    HB   VAL  61           HB       VAL  61  -5.541  -1.339  -0.804
  477   1HG1  VAL  61          1HG1      VAL  61  -4.336  -3.322  -1.540
  478   2HG1  VAL  61          2HG1      VAL  61  -4.245  -1.994  -2.696
  479   3HG1  VAL  61          3HG1      VAL  61  -5.337  -3.346  -2.989
  480   1HG2  VAL  61          1HG2      VAL  61  -7.220  -0.289  -1.926
  481   2HG2  VAL  61          2HG2      VAL  61  -7.709  -1.770  -2.746
  482   3HG2  VAL  61          3HG2      VAL  61  -6.285  -0.889  -3.298
  483    H    TYR  62           H        TYR  62  -7.738  -2.440   1.649
  484    HA   TYR  62           HA       TYR  62 -10.339  -1.614   0.621
  485   1HB   TYR  62          1HB       TYR  62  -9.601  -2.576   3.373
  486   2HB   TYR  62          1HB       TYR  62 -11.221  -2.135   2.840
  487    HD1  TYR  62          1HD       TYR  62 -12.591  -3.925   2.442
  488    HD2  TYR  62          2HD       TYR  62  -8.448  -4.315   1.537
  489    HE1  TYR  62          1HE       TYR  62 -12.975  -6.231   1.685
  490    HE2  TYR  62          2HE       TYR  62  -8.821  -6.614   0.799
  491    HH   TYR  62           HH       TYR  62 -10.294  -8.275   0.569
  492    H    THR  63           H        THR  63 -10.491   0.420   0.378
  493    HA   THR  63           HA       THR  63  -9.576   2.287   2.488
  494    HB   THR  63           HB       THR  63  -8.597   3.329   0.658
  495    HG1  THR  63          1HG       THR  63 -10.004   4.876   1.025
  496   1HG2  THR  63          1HG2      THR  63  -9.034   2.934  -1.584
  497   2HG2  THR  63          2HG2      THR  63 -10.718   2.506  -1.280
  498   3HG2  THR  63          3HG2      THR  63  -9.426   1.383  -0.845
  499    HA   PRO  64           HA       PRO  64 -13.877   3.124   3.372
  500   1HB   PRO  64          1HB       PRO  64 -13.163   5.893   3.950
  501   2HB   PRO  64          1HB       PRO  64 -13.816   4.666   5.030
  502   1HG   PRO  64          1HG       PRO  64 -11.259   5.558   5.203
  503   2HG   PRO  64          1HG       PRO  64 -11.734   3.905   5.638
  504   1HD   PRO  64          1HD       PRO  64 -10.367   4.907   3.192
  505   2HD   PRO  64          1HD       PRO  64 -10.135   3.382   4.061
  506    H    ALA  65           H        ALA  65 -15.551   3.975   2.355
  507    HA   ALA  65           HA       ALA  65 -15.133   5.523  -0.011
  508   1HB   ALA  65          1HB       ALA  65 -15.988   3.663  -0.904
  509   2HB   ALA  65          2HB       ALA  65 -17.517   4.397  -0.454
  510   3HB   ALA  65          3HB       ALA  65 -16.772   3.188   0.591
  511    H    MET  66           H        MET  66 -15.336   7.316   1.830
  512    HA   MET  66           HA       MET  66 -18.095   8.247   1.635
  513   1HB   MET  66          1HB       MET  66 -17.938   8.979   4.074
  514   2HB   MET  66          1HB       MET  66 -18.214   7.276   3.752
  515   1HG   MET  66          1HG       MET  66 -16.095   6.662   4.431
  516   2HG   MET  66          1HG       MET  66 -15.433   8.270   4.142
  517   1HE   MET  66          1HE       MET  66 -15.391   6.747   7.834
  518   2HE   MET  66          2HE       MET  66 -15.713   5.890   6.326
  519   3HE   MET  66          3HE       MET  66 -17.013   6.154   7.488
  520    H    GLU  67           H        GLU  67 -17.719   9.995   0.408
  521    HA   GLU  67           HA       GLU  67 -16.701  11.909  -0.381
  522   1HB   GLU  67          1HB       GLU  67 -17.048  13.740   1.204
  523   2HB   GLU  67          1HB       GLU  67 -18.394  12.615   1.232
  524   1HG   GLU  67          1HG       GLU  67 -16.511  11.803   3.199
  525   2HG   GLU  67          1HG       GLU  67 -16.811  13.523   3.388
  526    H    SER  68           H        SER  68 -15.255  13.804   1.473
  527    HA   SER  68           HA       SER  68 -12.620  13.099   0.799
  528   1HB   SER  68          1HB       SER  68 -13.381  14.995   3.022
  529   2HB   SER  68          1HB       SER  68 -11.941  15.036   2.005
  530    HG   SER  68           HG       SER  68 -14.596  15.712   1.354
  531    H    VAL  69           H        VAL  69 -12.462  10.966   1.547
  532    HA   VAL  69           HA       VAL  69 -11.851  10.766   4.414
  533    HB   VAL  69           HB       VAL  69 -14.033   9.699   3.654
  534   1HG1  VAL  69          1HG1      VAL  69 -13.779   8.657   1.663
  535   2HG1  VAL  69          2HG1      VAL  69 -13.492   7.279   2.723
  536   3HG1  VAL  69          3HG1      VAL  69 -12.131   8.138   2.009
  537   1HG2  VAL  69          1HG2      VAL  69 -12.177   8.857   5.531
  538   2HG2  VAL  69          2HG2      VAL  69 -12.693   7.387   4.711
  539   3HG2  VAL  69          3HG2      VAL  69 -13.887   8.437   5.460
  540    H    CYS  70           H        CYS  70 -11.010   8.020   4.097
  541    HA   CYS  70           HA       CYS  70  -8.393   8.425   2.883
  542   1HB   CYS  70          1HB       CYS  70  -9.283   6.037   4.490
  543   2HB   CYS  70          1HB       CYS  70  -7.660   6.665   4.239
  544    H    GLY  71           H        GLY  71 -10.014   8.434   1.020
  545   1HA   GLY  71          2HA       GLY  71 -10.635   5.872  -0.128
  546   2HA   GLY  71          1HA       GLY  71 -11.022   7.440  -0.802
  547    H    TYR  72           H        TYR  72  -8.868   4.855  -0.802
  548    HA   TYR  72           HA       TYR  72  -6.629   6.193  -1.931
  549   1HB   TYR  72          1HB       TYR  72  -6.491   4.008  -0.735
  550   2HB   TYR  72          1HB       TYR  72  -7.325   3.261  -2.096
  551    HD1  TYR  72          1HD       TYR  72  -6.222   2.912  -4.193
  552    HD2  TYR  72          2HD       TYR  72  -4.212   4.805  -0.969
  553    HE1  TYR  72          1HE       TYR  72  -4.076   2.615  -5.369
  554    HE2  TYR  72          2HE       TYR  72  -2.063   4.524  -2.112
  555    HH   TYR  72           HH       TYR  72  -1.183   2.764  -3.978
  556    H    PHE  73           H        PHE  73  -7.592   7.458  -3.583
  557    HA   PHE  73           HA       PHE  73  -8.984   6.255  -5.720
  558   1HB   PHE  73          1HB       PHE  73  -7.900   8.935  -5.119
  559   2HB   PHE  73          1HB       PHE  73  -8.001   8.539  -6.832
  560    HD1  PHE  73          1HD       PHE  73 -10.019   8.759  -7.968
  561    HD2  PHE  73          2HD       PHE  73 -10.037   8.609  -3.712
  562    HE1  PHE  73          1HE       PHE  73 -12.415   9.318  -7.961
  563    HE2  PHE  73          2HE       PHE  73 -12.435   9.166  -3.701
  564    HZ   PHE  73           HZ       PHE  73 -13.626   9.522  -5.826
  565    H    HIS  74           H        HIS  74  -8.106   4.719  -6.735
  566    HA   HIS  74           HA       HIS  74  -5.313   4.954  -7.577
  567   1HB   HIS  74          1HB       HIS  74  -5.489   3.004  -6.399
  568   2HB   HIS  74          1HB       HIS  74  -7.100   2.659  -6.968
  569    HD1  HIS  74          1HD       HIS  74  -7.005   0.554  -8.307
  570    HD2  HIS  74          2HD       HIS  74  -3.668   2.922  -8.933
  571    HE1  HIS  74          1HE       HIS  74  -5.591  -0.722  -9.935
  572    HE2  HIS  74          2HE       HIS  74  -3.546   0.707 -10.266
  573    H    ARG  75           H        ARG  75  -5.097   5.875  -9.404
  574    HA   ARG  75           HA       ARG  75  -7.016   5.504 -11.569
  575   1HB   ARG  75          1HB       ARG  75  -4.639   7.351 -11.292
  576   2HB   ARG  75          1HB       ARG  75  -5.773   7.359 -12.638
  577   1HG   ARG  75          1HG       ARG  75  -6.472   7.920  -9.761
  578   2HG   ARG  75          1HG       ARG  75  -6.238   9.135 -11.019
  579   1HD   ARG  75          1HD       ARG  75  -8.422   8.953 -11.414
  580   2HD   ARG  75          1HD       ARG  75  -8.054   7.388 -12.139
  581    HE   ARG  75           HE       ARG  75  -8.336   6.731  -9.566
  582   1HH1  ARG  75          1HH1      ARG  75 -10.324   8.704 -11.651
  583   2HH1  ARG  75          2HH1      ARG  75 -11.795   8.309 -10.830
  584   1HH2  ARG  75          1HH2      ARG  75 -10.272   6.210  -8.486
  585   2HH2  ARG  75          2HH2      ARG  75 -11.767   6.893  -9.033
  586    H    SER  76           H        SER  76  -4.807   3.532 -10.665
  587    HA   SER  76           HA       SER  76  -3.444   3.267 -13.249
  588   1HB   SER  76          1HB       SER  76  -2.632   2.716 -10.475
  589   2HB   SER  76          1HB       SER  76  -2.172   1.465 -11.624
  590    HG   SER  76           HG       SER  76  -1.681   3.965 -12.580
  591    H    HIS  77           H        HIS  77  -3.140   1.117 -14.114
  592    HA   HIS  77           HA       HIS  77  -5.024  -0.940 -13.243
  593   1HB   HIS  77          1HB       HIS  77  -5.260   0.649 -15.706
  594   2HB   HIS  77          1HB       HIS  77  -5.374  -1.091 -15.943
  595    HD1  HIS  77          1HD       HIS  77  -7.734   1.049 -16.205
  596    HD2  HIS  77          2HD       HIS  77  -7.067  -1.547 -13.031
  597    HE1  HIS  77          1HE       HIS  77  -9.965   0.778 -15.079
  598    HE2  HIS  77          2HE       HIS  77  -9.512  -0.707 -13.094
  599    H    ASN  78           H        ASN  78  -2.059  -0.131 -13.981
  600    HA   ASN  78           HA       ASN  78  -1.185  -2.159 -15.754
  601   1HB   ASN  78          1HB       ASN  78   0.038   0.031 -14.832
  602   2HB   ASN  78          1HB       ASN  78   0.751  -1.154 -13.739
  603   1HD2  ASN  78          1HD2      ASN  78   1.203   0.390 -16.569
  604   2HD2  ASN  78          2HD2      ASN  78   2.215  -0.752 -17.380
  605    H    ARG  79           H        ARG  79  -1.393  -4.251 -15.381
  606    HA   ARG  79           HA       ARG  79  -1.458  -5.316 -12.715
  607   1HB   ARG  79          1HB       ARG  79  -1.844  -6.462 -15.470
  608   2HB   ARG  79          1HB       ARG  79  -1.703  -7.524 -14.077
  609   1HG   ARG  79          1HG       ARG  79  -3.687  -6.713 -13.127
  610   2HG   ARG  79          1HG       ARG  79  -3.707  -5.288 -14.155
  611   1HD   ARG  79          1HD       ARG  79  -5.375  -6.727 -15.000
  612   2HD   ARG  79          1HD       ARG  79  -4.009  -6.884 -16.102
  613    HE   ARG  79           HE       ARG  79  -3.469  -8.959 -14.772
  614   1HH1  ARG  79          1HH1      ARG  79  -6.758  -7.793 -15.086
  615   2HH1  ARG  79          2HH1      ARG  79  -7.454  -9.364 -14.890
  616   1HH2  ARG  79          1HH2      ARG  79  -4.397 -11.005 -14.505
  617   2HH2  ARG  79          2HH2      ARG  79  -6.118 -11.185 -14.562
  618    H    SER  80           H        SER  80   0.987  -4.797 -15.030
  619    HA   SER  80           HA       SER  80   2.749  -6.746 -13.695
  620   1HB   SER  80          1HB       SER  80   4.124  -6.589 -15.811
  621   2HB   SER  80          1HB       SER  80   2.555  -7.377 -15.970
  622    HG   SER  80           HG       SER  80   3.452  -4.982 -17.033
  623    H    GLU  81           H        GLU  81   2.216  -3.411 -14.071
  624    HA   GLU  81           HA       GLU  81   5.026  -2.743 -13.729
  625   1HB   GLU  81          1HB       GLU  81   3.081  -1.212 -14.694
  626   2HB   GLU  81          1HB       GLU  81   2.877  -0.795 -12.999
  627   1HG   GLU  81          1HG       GLU  81   5.338  -0.266 -12.969
  628   2HG   GLU  81          1HG       GLU  81   5.302  -0.413 -14.726
  629    H    GLU  82           H        GLU  82   6.050  -2.970 -11.747
  630    HA   GLU  82           HA       GLU  82   4.523  -3.769  -9.474
  631   1HB   GLU  82          1HB       GLU  82   7.475  -3.154  -9.597
  632   2HB   GLU  82          1HB       GLU  82   6.635  -4.117  -8.393
  633   1HG   GLU  82          1HG       GLU  82   6.683  -5.958  -9.650
  634   2HG   GLU  82          1HG       GLU  82   6.334  -5.080 -11.140
  635    H    PHE  83           H        PHE  83   4.271  -2.770  -7.599
  636    HA   PHE  83           HA       PHE  83   5.020   0.069  -7.419
  637   1HB   PHE  83          1HB       PHE  83   2.421  -1.270  -6.859
  638   2HB   PHE  83          1HB       PHE  83   2.843   0.172  -5.955
  639    HD1  PHE  83          1HD       PHE  83   4.419   0.662  -8.982
  640    HD2  PHE  83          2HD       PHE  83   0.515   0.510  -7.326
  641    HE1  PHE  83          1HE       PHE  83   3.585   2.046 -10.827
  642    HE2  PHE  83          2HE       PHE  83  -0.336   1.890  -9.159
  643    HZ   PHE  83           HZ       PHE  83   1.203   2.663 -10.920
  644    H    LEU  84           H        LEU  84   4.486   0.912  -5.274
  645    HA   LEU  84           HA       LEU  84   5.712  -0.682  -3.086
  646   1HB   LEU  84          1HB       LEU  84   7.283   1.070  -3.937
  647   2HB   LEU  84          1HB       LEU  84   6.113   2.296  -3.508
  648    HG   LEU  84           HG       LEU  84   8.059   1.978  -1.923
  649   1HD1  LEU  84          1HD1      LEU  84   5.534   2.819  -1.504
  650   2HD1  LEU  84          2HD1      LEU  84   6.820   2.876  -0.299
  651   3HD1  LEU  84          3HD1      LEU  84   5.663   1.545  -0.291
  652   1HD2  LEU  84          1HD2      LEU  84   7.963   0.197  -0.318
  653   2HD2  LEU  84          2HD2      LEU  84   8.033  -0.497  -1.941
  654   3HD2  LEU  84          3HD2      LEU  84   6.502  -0.451  -1.064
  655    H    ILE  85           H        ILE  85   4.266  -0.994  -1.462
  656    HA   ILE  85           HA       ILE  85   2.141   1.037  -1.201
  657    HB   ILE  85           HB       ILE  85   1.839  -1.965  -0.958
  658   1HG1  ILE  85          1HG1      ILE  85   0.476  -0.112  -2.918
  659   2HG1  ILE  85          1HG1      ILE  85   2.033  -0.855  -3.273
  660   1HG2  ILE  85          1HG2      ILE  85  -0.361   0.104  -0.787
  661   2HG2  ILE  85          2HG2      ILE  85   0.421  -0.582   0.637
  662   3HG2  ILE  85          3HG2      ILE  85  -0.470  -1.627  -0.467
  663   1HD1  ILE  85          1HD1      ILE  85   1.057  -3.057  -3.100
  664   2HD1  ILE  85          2HD1      ILE  85   0.138  -2.079  -4.243
  665   3HD1  ILE  85          3HD1      ILE  85  -0.491  -2.361  -2.621
  666    H    ALA  86           H        ALA  86   2.210   2.005   0.560
  667    HA   ALA  86           HA       ALA  86   3.044   0.712   3.110
  668   1HB   ALA  86          1HB       ALA  86   3.763   2.695   3.965
  669   2HB   ALA  86          2HB       ALA  86   2.509   3.626   3.144
  670   3HB   ALA  86          3HB       ALA  86   3.950   3.117   2.263
  671    H    GLY  87           H        GLY  87   1.315  -0.071   4.177
  672   1HA   GLY  87          2HA       GLY  87  -1.022   1.495   4.712
  673   2HA   GLY  87          1HA       GLY  87  -1.345   0.235   3.533
  674    H    LYS  88           H        LYS  88  -2.198   0.687   6.425
  675    HA   LYS  88           HA       LYS  88  -1.148  -1.552   7.885
  676   1HB   LYS  88          1HB       LYS  88  -3.329   0.410   8.567
  677   2HB   LYS  88          1HB       LYS  88  -2.731  -0.820   9.661
  678   1HG   LYS  88          1HG       LYS  88  -0.521   0.219   9.577
  679   2HG   LYS  88          1HG       LYS  88  -1.151   1.460   8.502
  680   1HD   LYS  88          1HD       LYS  88  -2.387   0.959  11.191
  681   2HD   LYS  88          1HD       LYS  88  -0.953   1.975  11.026
  682   1HE   LYS  88          1HE       LYS  88  -2.304   3.205   9.211
  683   2HE   LYS  88          1HE       LYS  88  -3.707   2.405   9.920
  684   1HZ   LYS  88          1HZ       LYS  88  -3.740   4.151  11.287
  685   2HZ   LYS  88          2HZ       LYS  88  -2.159   4.617  10.911
  686   3HZ   LYS  88          3HZ       LYS  88  -2.432   3.423  12.076
  687    H    LEU  89           H        LEU  89  -2.963  -2.890   9.162
  688    HA   LEU  89           HA       LEU  89  -4.693  -4.115   7.111
  689   1HB   LEU  89          1HB       LEU  89  -3.150  -5.150   9.420
  690   2HB   LEU  89          1HB       LEU  89  -4.696  -5.908   9.111
  691    HG   LEU  89           HG       LEU  89  -2.289  -5.850   7.342
  692   1HD1  LEU  89          1HD1      LEU  89  -3.265  -7.662   9.245
  693   2HD1  LEU  89          2HD1      LEU  89  -1.938  -7.906   8.110
  694   3HD1  LEU  89          3HD1      LEU  89  -3.576  -8.384   7.666
  695   1HD2  LEU  89          1HD2      LEU  89  -3.896  -5.510   5.734
  696   2HD2  LEU  89          2HD2      LEU  89  -5.137  -6.349   6.661
  697   3HD2  LEU  89          3HD2      LEU  89  -3.876  -7.270   5.841
  698    H    GLN  90           H        GLN  90  -6.840  -4.662   7.586
  699    HA   GLN  90           HA       GLN  90  -7.922  -3.701  10.118
  700   1HB   GLN  90          1HB       GLN  90  -9.020  -3.317   7.350
  701   2HB   GLN  90          1HB       GLN  90 -10.035  -3.186   8.780
  702   1HG   GLN  90          1HG       GLN  90  -7.619  -1.514   8.132
  703   2HG   GLN  90          1HG       GLN  90  -9.301  -0.996   8.105
  704   1HE2  GLN  90          1HE2      GLN  90  -6.960  -0.044   9.653
  705   2HE2  GLN  90          2HE2      GLN  90  -7.458  -0.105  11.306
  706    H    ASP  91           H        ASP  91  -8.505  -5.423  11.245
  707    HA   ASP  91           HA       ASP  91  -9.052  -7.619  11.689
  708   1HB   ASP  91          1HB       ASP  91 -11.235  -6.517   9.939
  709   2HB   ASP  91          1HB       ASP  91 -11.337  -8.160  10.565
  710    H    GLY  92           H        GLY  92  -7.250  -7.258   9.378
  711   1HA   GLY  92          2HA       GLY  92  -6.359  -9.391   8.418
  712   2HA   GLY  92          1HA       GLY  92  -8.003  -9.679   7.868
  713    H    LEU  93           H        LEU  93  -8.850  -7.476   6.674
  714    HA   LEU  93           HA       LEU  93  -7.413  -7.514   4.275
  715   1HB   LEU  93          1HB       LEU  93  -9.678  -5.755   5.216
  716   2HB   LEU  93          1HB       LEU  93  -9.102  -5.832   3.569
  717    HG   LEU  93           HG       LEU  93 -11.052  -7.140   3.619
  718   1HD1  LEU  93          1HD1      LEU  93  -8.645  -8.243   2.910
  719   2HD1  LEU  93          2HD1      LEU  93 -10.240  -8.885   2.519
  720   3HD1  LEU  93          3HD1      LEU  93  -9.370  -9.488   3.929
  721   1HD2  LEU  93          1HD2      LEU  93 -11.307  -7.386   6.019
  722   2HD2  LEU  93          2HD2      LEU  93  -9.967  -8.529   6.064
  723   3HD2  LEU  93          3HD2      LEU  93 -11.450  -8.951   5.220
  724    H    LEU  94           H        LEU  94  -6.346  -5.938   3.169
  725    HA   LEU  94           HA       LEU  94  -4.765  -4.158   4.703
  726   1HB   LEU  94          1HB       LEU  94  -3.984  -5.254   2.633
  727   2HB   LEU  94          1HB       LEU  94  -5.150  -4.323   1.715
  728    HG   LEU  94           HG       LEU  94  -3.978  -2.253   2.323
  729   1HD1  LEU  94          1HD1      LEU  94  -2.738  -2.266   4.171
  730   2HD1  LEU  94          2HD1      LEU  94  -1.496  -3.073   3.213
  731   3HD1  LEU  94          3HD1      LEU  94  -2.625  -4.026   4.175
  732   1HD2  LEU  94          1HD2      LEU  94  -3.205  -2.908   0.284
  733   2HD2  LEU  94          2HD2      LEU  94  -2.651  -4.472   0.876
  734   3HD2  LEU  94          3HD2      LEU  94  -1.701  -3.022   1.197
  735    H    HIS  95           H        HIS  95  -4.691  -1.873   4.475
  736    HA   HIS  95           HA       HIS  95  -7.111  -0.625   3.429
  737   1HB   HIS  95          1HB       HIS  95  -6.213  -0.524   6.267
  738   2HB   HIS  95          1HB       HIS  95  -6.837   0.962   5.556
  739    HD1  HIS  95          1HD       HIS  95  -9.179   1.183   6.391
  740    HD2  HIS  95          2HD       HIS  95  -8.285  -2.708   5.237
  741    HE1  HIS  95          1HE       HIS  95 -11.346  -0.088   6.562
  742    HE2  HIS  95          2HE       HIS  95 -10.770  -2.446   5.887
  743    H    ILE  96           H        ILE  96  -6.738   1.240   2.415
  744    HA   ILE  96           HA       ILE  96  -3.976   2.266   2.610
  745    HB   ILE  96           HB       ILE  96  -5.161   2.794  -0.003
  746   1HG1  ILE  96          1HG1      ILE  96  -6.169   0.581   0.330
  747   2HG1  ILE  96          1HG1      ILE  96  -4.911   0.529  -0.903
  748   1HG2  ILE  96          1HG2      ILE  96  -2.577   1.970   1.166
  749   2HG2  ILE  96          2HG2      ILE  96  -2.938   3.219  -0.024
  750   3HG2  ILE  96          3HG2      ILE  96  -2.865   1.527  -0.516
  751   1HD1  ILE  96          1HD1      ILE  96  -3.470  -0.099   1.278
  752   2HD1  ILE  96          2HD1      ILE  96  -4.255  -1.285   0.239
  753   3HD1  ILE  96          3HD1      ILE  96  -5.041  -0.764   1.722
  754    H    THR  97           H        THR  97  -3.700   4.372   2.786
  755    HA   THR  97           HA       THR  97  -6.032   6.098   2.414
  756    HB   THR  97           HB       THR  97  -4.207   6.131   4.805
  757    HG1  THR  97          1HG       THR  97  -6.936   5.596   4.983
  758   1HG2  THR  97          1HG2      THR  97  -4.818   8.261   4.907
  759   2HG2  THR  97          2HG2      THR  97  -6.291   7.581   5.588
  760   3HG2  THR  97          3HG2      THR  97  -6.232   8.023   3.881
  761    H    THR  98           H        THR  98  -5.641   8.095   1.740
  762    HA   THR  98           HA       THR  98  -3.447   8.662   0.203
  763    HB   THR  98           HB       THR  98  -4.394  10.704  -0.238
  764    HG1  THR  98          1HG       THR  98  -5.661  11.012   2.215
  765   1HG2  THR  98          1HG2      THR  98  -6.490   8.946   0.902
  766   2HG2  THR  98          2HG2      THR  98  -6.270   9.527  -0.744
  767   3HG2  THR  98          3HG2      THR  98  -6.910  10.599   0.495
  768    H    CYS  99           H        CYS  99  -3.544   8.739   3.605
  769    HA   CYS  99           HA       CYS  99  -1.228  10.538   3.739
  770   1HB   CYS  99          1HB       CYS  99  -2.886   9.382   6.000
  771   2HB   CYS  99          1HB       CYS  99  -1.460  10.399   6.207
  772    H    SER 100           H        SER 100  -1.272   7.838   2.620
  773    HA   SER 100           HA       SER 100   0.768   6.603   4.340
  774   1HB   SER 100          1HB       SER 100  -1.589   5.401   3.077
  775   2HB   SER 100          1HB       SER 100  -0.093   4.561   2.687
  776    HG   SER 100           HG       SER 100  -1.446   4.213   4.821
  777    H    PHE 101           H        PHE 101   2.540   5.645   3.217
  778    HA   PHE 101           HA       PHE 101   3.172   7.136   0.835
  779   1HB   PHE 101          1HB       PHE 101   4.848   6.752   2.630
  780   2HB   PHE 101          1HB       PHE 101   4.861   5.044   2.198
  781    HD1  PHE 101          1HD       PHE 101   5.608   4.394  -0.097
  782    HD2  PHE 101          2HD       PHE 101   6.118   8.325   1.435
  783    HE1  PHE 101          1HE       PHE 101   7.330   4.825  -1.802
  784    HE2  PHE 101          2HE       PHE 101   7.841   8.770  -0.267
  785    HZ   PHE 101           HZ       PHE 101   8.451   7.018  -1.887
  786    H    VAL 102           H        VAL 102   2.452   6.433  -1.119
  787    HA   VAL 102           HA       VAL 102   2.840   3.609  -1.758
  788    HB   VAL 102           HB       VAL 102   0.181   4.853  -2.386
  789   1HG1  VAL 102          1HG1      VAL 102  -0.235   2.225  -2.307
  790   2HG1  VAL 102          2HG1      VAL 102   1.488   2.214  -2.673
  791   3HG1  VAL 102          3HG1      VAL 102   0.372   3.048  -3.746
  792   1HG2  VAL 102          1HG2      VAL 102   0.324   4.834   0.038
  793   2HG2  VAL 102          2HG2      VAL 102   0.888   3.165   0.018
  794   3HG2  VAL 102          3HG2      VAL 102  -0.752   3.544  -0.500
  795    H    ALA 103           H        ALA 103   4.201   3.827  -3.396
  796    HA   ALA 103           HA       ALA 103   3.209   4.913  -5.891
  797   1HB   ALA 103          1HB       ALA 103   4.195   6.859  -4.583
  798   2HB   ALA 103          2HB       ALA 103   4.774   6.625  -6.230
  799   3HB   ALA 103          3HB       ALA 103   5.765   6.108  -4.867
  800    HA   PRO 104           HA       PRO 104   5.754   2.031  -8.094
  801   1HB   PRO 104          1HB       PRO 104   7.343   4.259  -9.240
  802   2HB   PRO 104          1HB       PRO 104   6.556   2.906 -10.055
  803   1HG   PRO 104          1HG       PRO 104   5.458   5.333 -10.134
  804   2HG   PRO 104          1HG       PRO 104   4.432   3.904  -9.901
  805   1HD   PRO 104          1HD       PRO 104   5.335   5.935  -7.897
  806   2HD   PRO 104          1HD       PRO 104   3.775   5.096  -8.024
  807    H    TRP 105           H        TRP 105   7.236   0.828  -7.135
  808    HA   TRP 105           HA       TRP 105   9.386   1.600  -5.553
  809   1HB   TRP 105          1HB       TRP 105   8.583  -0.755  -6.095
  810   2HB   TRP 105          1HB       TRP 105   9.409  -0.620  -7.618
  811    HD1  TRP 105           HD       TRP 105  11.594  -1.831  -7.596
  812    HE1  TRP 105          1HE       TRP 105  13.408  -2.345  -5.874
  813    HE3  TRP 105          3HE       TRP 105   9.566   0.542  -3.539
  814    HZ2  TRP 105          2HZ       TRP 105  13.921  -1.840  -3.134
  815    HZ3  TRP 105          3HZ       TRP 105  10.800   0.481  -1.404
  816    HH2  TRP 105           HH       TRP 105  12.931  -0.679  -1.227
  817    H    ASN 106           H        ASN 106   9.155   0.864  -8.944
  818    HA   ASN 106           HA       ASN 106  11.618   1.557  -9.771
  819   1HB   ASN 106          1HB       ASN 106   9.050   1.551 -11.294
  820   2HB   ASN 106          1HB       ASN 106  10.618   1.760 -12.067
  821   1HD2  ASN 106          1HD2      ASN 106   8.385  -0.432 -10.723
  822   2HD2  ASN 106          2HD2      ASN 106   9.291  -1.879 -10.993
  823    H    SER 107           H        SER 107   9.923   3.646  -8.300
  824    HA   SER 107           HA       SER 107  10.851   5.939  -9.886
  825   1HB   SER 107          1HB       SER 107   8.340   5.841  -9.777
  826   2HB   SER 107          1HB       SER 107   8.468   6.055  -8.031
  827    HG   SER 107           HG       SER 107   9.673   8.030  -8.568
  828    H    LEU 108           H        LEU 108  10.988   4.231  -7.134
  829    HA   LEU 108           HA       LEU 108  11.758   6.198  -5.252
  830   1HB   LEU 108          1HB       LEU 108  11.477   3.311  -5.425
  831   2HB   LEU 108          1HB       LEU 108  12.631   3.854  -4.228
  832    HG   LEU 108           HG       LEU 108  10.936   5.068  -3.041
  833   1HD1  LEU 108          1HD1      LEU 108   8.603   4.355  -4.602
  834   2HD1  LEU 108          2HD1      LEU 108   9.714   5.373  -5.511
  835   3HD1  LEU 108          3HD1      LEU 108   9.097   5.919  -3.957
  836   1HD2  LEU 108          1HD2      LEU 108   9.278   2.722  -3.645
  837   2HD2  LEU 108          2HD2      LEU 108   9.948   3.281  -2.111
  838   3HD2  LEU 108          3HD2      LEU 108  10.958   2.374  -3.236
  839    H    SER 109           H        SER 109  13.725   6.156  -4.089
  840    HA   SER 109           HA       SER 109  16.023   6.472  -5.809
  841   1HB   SER 109          1HB       SER 109  16.308   6.501  -2.842
  842   2HB   SER 109          1HB       SER 109  17.014   7.568  -4.048
  843    HG   SER 109           HG       SER 109  15.417   8.667  -2.883
  844    H    LEU 110           H        LEU 110  17.189   4.951  -6.417
  845    HA   LEU 110           HA       LEU 110  17.324   2.360  -5.914
  846   1HB   LEU 110          1HB       LEU 110  19.880   2.625  -6.228
  847   2HB   LEU 110          1HB       LEU 110  18.788   3.096  -7.477
  848    HG   LEU 110           HG       LEU 110  20.871   4.597  -6.430
  849   1HD1  LEU 110          1HD1      LEU 110  19.515   6.372  -7.950
  850   2HD1  LEU 110          2HD1      LEU 110  18.847   4.834  -8.500
  851   3HD1  LEU 110          3HD1      LEU 110  20.587   5.113  -8.563
  852   1HD2  LEU 110          1HD2      LEU 110  19.908   5.661  -4.686
  853   2HD2  LEU 110          2HD2      LEU 110  18.304   5.614  -5.399
  854   3HD2  LEU 110          3HD2      LEU 110  19.488   6.751  -6.001
  855    H    ALA 111           H        ALA 111  18.559   4.789  -3.737
  856    HA   ALA 111           HA       ALA 111  19.713   2.870  -1.910
  857   1HB   ALA 111          1HB       ALA 111  19.304   5.670  -1.096
  858   2HB   ALA 111          2HB       ALA 111  20.398   5.375  -2.460
  859   3HB   ALA 111          3HB       ALA 111  20.708   4.615  -0.891
  860    H    GLN 112           H        GLN 112  16.846   4.870  -2.267
  861    HA   GLN 112           HA       GLN 112  15.809   4.066   0.297
  862   1HB   GLN 112          1HB       GLN 112  15.375   6.328  -0.452
  863   2HB   GLN 112          1HB       GLN 112  14.769   5.740  -1.991
  864   1HG   GLN 112          1HG       GLN 112  12.950   4.592  -0.629
  865   2HG   GLN 112          1HG       GLN 112  13.478   5.635   0.692
  866   1HE2  GLN 112          1HE2      GLN 112  14.027   7.968  -0.507
  867   2HE2  GLN 112          2HE2      GLN 112  12.617   8.632  -1.252
  868    H    ARG 113           H        ARG 113  16.235   2.766  -2.587
  869    HA   ARG 113           HA       ARG 113  13.841   1.139  -2.616
  870   1HB   ARG 113          1HB       ARG 113  16.212   1.514  -4.399
  871   2HB   ARG 113          1HB       ARG 113  15.287   0.018  -4.503
  872   1HG   ARG 113          1HG       ARG 113  13.249   1.609  -4.720
  873   2HG   ARG 113          1HG       ARG 113  14.468   2.805  -5.174
  874   1HD   ARG 113          1HD       ARG 113  15.299   0.884  -6.729
  875   2HD   ARG 113          1HD       ARG 113  13.636   0.310  -6.550
  876    HE   ARG 113           HE       ARG 113  12.958   2.544  -7.398
  877   1HH1  ARG 113          1HH1      ARG 113  16.158   1.331  -8.128
  878   2HH1  ARG 113          2HH1      ARG 113  16.318   2.280  -9.565
  879   1HH2  ARG 113          1HH2      ARG 113  13.181   3.791  -9.279
  880   2HH2  ARG 113          2HH2      ARG 113  14.631   3.676 -10.219
  881    H    ARG 114           H        ARG 114  17.244   1.318  -1.863
  882    HA   ARG 114           HA       ARG 114  17.540  -1.413  -1.040
  883   1HB   ARG 114          1HB       ARG 114  19.444   0.030  -1.752
  884   2HB   ARG 114          1HB       ARG 114  19.164   1.054  -0.347
  885   1HG   ARG 114          1HG       ARG 114  19.722  -1.847  -0.010
  886   2HG   ARG 114          1HG       ARG 114  21.035  -0.704  -0.277
  887   1HD   ARG 114          1HD       ARG 114  18.978  -0.530   1.927
  888   2HD   ARG 114          1HD       ARG 114  20.623  -1.102   2.100
  889    HE   ARG 114           HE       ARG 114  20.061   1.645   1.253
  890   1HH1  ARG 114          1HH1      ARG 114  21.647  -0.629   3.375
  891   2HH1  ARG 114          2HH1      ARG 114  22.595   0.578   4.169
  892   1HH2  ARG 114          1HH2      ARG 114  21.307   3.246   2.315
  893   2HH2  ARG 114          2HH2      ARG 114  22.405   2.776   3.571
  894    H    GLY 115           H        GLY 115  17.594   1.666   0.700
  895   1HA   GLY 115          2HA       GLY 115  17.469   0.825   3.274
  896   2HA   GLY 115          1HA       GLY 115  16.696   2.297   2.724
  897    H    PHE 116           H        PHE 116  14.690   1.097   1.070
  898    HA   PHE 116           HA       PHE 116  12.909   0.425   3.180
  899   1HB   PHE 116          1HB       PHE 116  12.685   0.701   0.209
  900   2HB   PHE 116          1HB       PHE 116  11.467  -0.289   0.989
  901    HD1  PHE 116          1HD       PHE 116  11.609   2.525  -0.538
  902    HD2  PHE 116          2HD       PHE 116  10.955   1.238   3.461
  903    HE1  PHE 116          1HE       PHE 116  10.259   4.533  -0.125
  904    HE2  PHE 116          2HE       PHE 116   9.604   3.255   3.888
  905    HZ   PHE 116           HZ       PHE 116   9.250   4.894   2.088
  906    H    THR 117           H        THR 117  14.941  -1.329   1.167
  907    HA   THR 117           HA       THR 117  13.472  -3.799   1.460
  908    HB   THR 117           HB       THR 117  14.931  -2.909  -0.592
  909    HG1  THR 117          1HG       THR 117  14.251  -5.432   0.290
  910   1HG2  THR 117          1HG2      THR 117  17.111  -3.128  -0.477
  911   2HG2  THR 117          2HG2      THR 117  16.945  -4.828  -0.044
  912   3HG2  THR 117          3HG2      THR 117  16.978  -3.595   1.214
  913    H    LYS 118           H        LYS 118  15.986  -2.022   2.989
  914    HA   LYS 118           HA       LYS 118  16.408  -4.281   4.803
  915   1HB   LYS 118          1HB       LYS 118  18.601  -4.452   4.307
  916   2HB   LYS 118          1HB       LYS 118  18.189  -3.548   2.864
  917   1HG   LYS 118          1HG       LYS 118  19.128  -1.628   3.614
  918   2HG   LYS 118          1HG       LYS 118  18.949  -2.055   5.316
  919   1HD   LYS 118          1HD       LYS 118  21.230  -2.277   4.940
  920   2HD   LYS 118          1HD       LYS 118  20.633  -3.932   4.793
  921   1HE   LYS 118          1HE       LYS 118  20.535  -2.488   2.281
  922   2HE   LYS 118          1HE       LYS 118  22.167  -2.562   2.943
  923   1HZ   LYS 118          1HZ       LYS 118  22.315  -4.680   2.330
  924   2HZ   LYS 118          2HZ       LYS 118  20.820  -4.540   1.550
  925   3HZ   LYS 118          3HZ       LYS 118  20.892  -5.087   3.149
  926    H    THR 119           H        THR 119  16.858  -0.837   4.321
  927    HA   THR 119           HA       THR 119  17.844  -0.506   6.995
  928    HB   THR 119           HB       THR 119  17.500   1.794   5.197
  929    HG1  THR 119          1HG       THR 119  18.019   0.397   3.581
  930   1HG2  THR 119          1HG2      THR 119  19.059   1.983   7.043
  931   2HG2  THR 119          2HG2      THR 119  19.943   1.941   5.508
  932   3HG2  THR 119          3HG2      THR 119  19.874   0.499   6.526
  933    H    TYR 120           H        TYR 120  14.790   0.549   5.529
  934    HA   TYR 120           HA       TYR 120  14.659   2.695   7.376
  935   1HB   TYR 120          1HB       TYR 120  12.595   1.656   5.468
  936   2HB   TYR 120          1HB       TYR 120  12.531   3.170   6.350
  937    HD1  TYR 120          1HD       TYR 120  15.683   3.483   6.056
  938    HD2  TYR 120          2HD       TYR 120  12.449   2.957   3.362
  939    HE1  TYR 120          1HE       TYR 120  16.965   4.627   4.310
  940    HE2  TYR 120          2HE       TYR 120  13.705   4.096   1.602
  941    HH   TYR 120           HH       TYR 120  15.570   5.684   1.406
  942    H    THR 121           H        THR 121  13.393  -0.546   7.567
  943    HA   THR 121           HA       THR 121  11.274  -0.085   9.265
  944    HB   THR 121           HB       THR 121  11.002  -2.249   8.940
  945    HG1  THR 121          1HG       THR 121  13.344  -3.012  10.286
  946   1HG2  THR 121          1HG2      THR 121  12.269  -3.402   7.518
  947   2HG2  THR 121          2HG2      THR 121  13.768  -3.025   8.369
  948   3HG2  THR 121          3HG2      THR 121  13.037  -1.835   7.292
  949    H    VAL 122           H        VAL 122  14.365   0.348   9.916
  950    HA   VAL 122           HA       VAL 122  13.986   0.452  12.848
  951    HB   VAL 122           HB       VAL 122  16.719  -0.055  11.715
  952   1HG1  VAL 122          1HG1      VAL 122  15.486  -0.325  14.457
  953   2HG1  VAL 122          2HG1      VAL 122  16.730   0.815  13.947
  954   3HG1  VAL 122          3HG1      VAL 122  17.100  -0.906  14.046
  955   1HG2  VAL 122          1HG2      VAL 122  14.509  -1.924  11.910
  956   2HG2  VAL 122          2HG2      VAL 122  15.883  -2.429  12.893
  957   3HG2  VAL 122          3HG2      VAL 122  16.096  -2.130  11.169
  958    H    GLY 123           H        GLY 123  15.234   1.931  10.003
  959   1HA   GLY 123          2HA       GLY 123  15.847   4.357  11.564
  960   2HA   GLY 123          1HA       GLY 123  16.826   3.851  10.188
  961    H    CYS 124           H        CYS 124  13.406   3.553  10.434
  962    HA   CYS 124           HA       CYS 124  12.722   4.463   7.936
  963   1HB   CYS 124          1HB       CYS 124  10.443   4.764   8.919
  964   2HB   CYS 124          1HB       CYS 124  11.227   3.224   9.291
  965    H    GLU 125           H        GLU 125  14.294   6.403   7.921
  966    HA   GLU 125           HA       GLU 125  12.752   8.804   8.616
  967   1HB   GLU 125          1HB       GLU 125  15.440   9.593   8.607
  968   2HB   GLU 125          1HB       GLU 125  14.354   9.502   9.986
  969   1HG   GLU 125          1HG       GLU 125  15.031   6.994  10.012
  970   2HG   GLU 125          1HG       GLU 125  16.405   7.562   9.055
  971    H    GLU 126           H        GLU 126  12.128   8.063   6.319
  972    HA   GLU 126           HA       GLU 126  13.989   9.173   4.392
  973   1HB   GLU 126          1HB       GLU 126  11.857   7.139   4.284
  974   2HB   GLU 126          1HB       GLU 126  12.027   8.161   2.861
  975   1HG   GLU 126          1HG       GLU 126  14.284   6.625   4.108
  976   2HG   GLU 126          1HG       GLU 126  13.319   6.064   2.741
  Start of MODEL   17
    1   1H    CYS   1          1HT       CYS   1  -9.509  15.659   2.361
    2   2H    CYS   1          2HT       CYS   1  -8.388  16.838   2.910
    3   3H    CYS   1          3HT       CYS   1  -9.733  16.407   3.885
    4    HA   CYS   1           HA       CYS   1  -7.887  15.361   4.794
    5   1HB   CYS   1          1HB       CYS   1  -9.054  13.466   5.069
    6   2HB   CYS   1          1HB       CYS   1 -10.133  14.032   3.805
    7    H    THR   2           H        THR   2  -8.150  14.743   1.348
    8    HA   THR   2           HA       THR   2  -5.878  13.218   1.067
    9    HB   THR   2           HB       THR   2  -7.511  13.374  -0.698
   10    HG1  THR   2          1HG       THR   2  -4.866  13.955  -1.195
   11   1HG2  THR   2          1HG2      THR   2  -8.229  15.225  -1.741
   12   2HG2  THR   2          2HG2      THR   2  -6.652  16.009  -1.673
   13   3HG2  THR   2          3HG2      THR   2  -7.697  16.009  -0.253
   14    H    CYS   3           H        CYS   3  -3.969  13.742   1.788
   15    HA   CYS   3           HA       CYS   3  -2.910  16.448   1.384
   16   1HB   CYS   3          1HB       CYS   3  -1.263  15.862   3.115
   17   2HB   CYS   3          1HB       CYS   3  -2.900  15.628   3.706
   18    H    VAL   4           H        VAL   4  -0.224  16.022   1.445
   19    HA   VAL   4           HA       VAL   4   0.224  14.599  -1.082
   20    HB   VAL   4           HB       VAL   4   2.162  15.943  -1.406
   21   1HG1  VAL   4          1HG1      VAL   4  -0.366  17.204  -0.714
   22   2HG1  VAL   4          2HG1      VAL   4   0.679  17.442  -2.113
   23   3HG1  VAL   4          3HG1      VAL   4   1.012  18.300  -0.610
   24   1HG2  VAL   4          1HG2      VAL   4   1.832  16.832   1.451
   25   2HG2  VAL   4          2HG2      VAL   4   2.943  17.567   0.297
   26   3HG2  VAL   4          3HG2      VAL   4   3.158  15.883   0.774
   27    HA   PRO   5           HA       PRO   5   2.742  11.170   0.092
   28   1HB   PRO   5          1HB       PRO   5   5.099  12.875  -0.664
   29   2HB   PRO   5          1HB       PRO   5   4.818  11.157  -0.980
   30   1HG   PRO   5          1HG       PRO   5   4.331  12.965  -2.868
   31   2HG   PRO   5          1HG       PRO   5   3.249  11.580  -2.638
   32   1HD   PRO   5          1HD       PRO   5   2.804  14.430  -2.023
   33   2HD   PRO   5          1HD       PRO   5   1.621  13.153  -2.326
   34    HA   PRO   6           HA       PRO   6   4.059  12.665   4.162
   35   1HB   PRO   6          1HB       PRO   6   2.893  10.595   5.523
   36   2HB   PRO   6          1HB       PRO   6   2.049  12.060   5.021
   37   1HG   PRO   6          1HG       PRO   6   1.687   9.369   4.057
   38   2HG   PRO   6          1HG       PRO   6   0.775  10.823   3.632
   39   1HD   PRO   6          1HD       PRO   6   2.967   9.494   2.180
   40   2HD   PRO   6          1HD       PRO   6   1.735  10.627   1.583
   41    H    HIS   7           H        HIS   7   5.958  12.363   5.086
   42    HA   HIS   7           HA       HIS   7   7.981  10.984   4.454
   43   1HB   HIS   7          1HB       HIS   7   7.094  11.226   7.327
   44   2HB   HIS   7          1HB       HIS   7   8.729  10.992   6.774
   45    HD1  HIS   7          1HD       HIS   7   8.903  13.085   4.548
   46    HD2  HIS   7          2HD       HIS   7   7.156  13.781   8.254
   47    HE1  HIS   7          1HE       HIS   7   8.951  15.581   4.857
   48    HE2  HIS   7          2HE       HIS   7   7.961  15.972   7.140
   49    HA   PRO   8           HA       PRO   8   7.232   6.586   4.634
   50   1HB   PRO   8          1HB       PRO   8   9.744   5.845   4.020
   51   2HB   PRO   8          1HB       PRO   8   8.686   6.577   2.802
   52   1HG   PRO   8          1HG       PRO   8  10.718   7.898   4.551
   53   2HG   PRO   8          1HG       PRO   8  10.598   7.979   2.781
   54   1HD   PRO   8          1HD       PRO   8   9.578   9.932   4.258
   55   2HD   PRO   8          1HD       PRO   8   8.667   9.317   2.873
   56    H    GLN   9           H        GLN   9   9.375   8.502   6.525
   57    HA   GLN   9           HA       GLN   9  10.478   6.518   8.188
   58   1HB   GLN   9          1HB       GLN   9  11.574   8.561   8.353
   59   2HB   GLN   9          1HB       GLN   9  10.090   9.479   8.345
   60   1HG   GLN   9          1HG       GLN   9  10.203   7.897  10.714
   61   2HG   GLN   9          1HG       GLN   9  11.725   8.759  10.515
   62   1HE2  GLN   9          1HE2      GLN   9   8.229   9.284  10.384
   63   2HE2  GLN   9          2HE2      GLN   9   8.264  10.873  11.053
   64    H    THR  10           H        THR  10   7.525   8.416   8.072
   65    HA   THR  10           HA       THR  10   6.577   7.287  10.543
   66    HB   THR  10           HB       THR  10   6.062   9.645   8.859
   67    HG1  THR  10          1HG       THR  10   6.274   9.016  11.527
   68   1HG2  THR  10          1HG2      THR  10   3.886   9.628   8.644
   69   2HG2  THR  10          2HG2      THR  10   3.720   9.505  10.397
   70   3HG2  THR  10          3HG2      THR  10   3.776   8.043   9.416
   71    H    ALA  11           H        ALA  11   5.934   7.332   7.004
   72    HA   ALA  11           HA       ALA  11   3.589   5.786   7.059
   73   1HB   ALA  11          1HB       ALA  11   3.723   5.780   4.794
   74   2HB   ALA  11          2HB       ALA  11   5.480   5.612   4.787
   75   3HB   ALA  11          3HB       ALA  11   4.744   7.169   5.172
   76    H    PHE  12           H        PHE  12   7.021   4.873   6.904
   77    HA   PHE  12           HA       PHE  12   6.530   2.131   6.341
   78   1HB   PHE  12          1HB       PHE  12   8.743   3.511   6.147
   79   2HB   PHE  12          1HB       PHE  12   8.965   3.065   7.833
   80    HD1  PHE  12          1HD       PHE  12   8.430   0.422   8.215
   81    HD2  PHE  12          2HD       PHE  12   9.846   2.225   4.639
   82    HE1  PHE  12          1HE       PHE  12   9.388  -1.731   7.511
   83    HE2  PHE  12          2HE       PHE  12  10.801   0.075   3.927
   84    HZ   PHE  12           HZ       PHE  12  10.581  -1.907   5.366
   85    H    CYS  13           H        CYS  13   7.770   3.624   9.260
   86    HA   CYS  13           HA       CYS  13   7.393   1.371  10.845
   87   1HB   CYS  13          1HB       CYS  13   8.077   4.230  11.411
   88   2HB   CYS  13          1HB       CYS  13   7.864   3.072  12.721
   89    H    ASN  14           H        ASN  14   5.166   4.181  10.362
   90    HA   ASN  14           HA       ASN  14   3.680   3.420  12.649
   91   1HB   ASN  14          1HB       ASN  14   3.721   5.583  10.763
   92   2HB   ASN  14          1HB       ASN  14   2.091   4.940  10.848
   93   1HD2  ASN  14          1HD2      ASN  14   4.055   7.214  12.059
   94   2HD2  ASN  14          2HD2      ASN  14   3.347   7.432  13.621
   95    H    SER  15           H        SER  15   3.603   2.654   9.178
   96    HA   SER  15           HA       SER  15   1.039   1.523   9.258
   97   1HB   SER  15          1HB       SER  15   2.656   2.366   7.263
   98   2HB   SER  15          1HB       SER  15   2.842   0.623   7.147
   99    HG   SER  15           HG       SER  15   0.280   1.116   7.484
  100    H    ASP  16           H        ASP  16   0.501  -0.407   9.035
  101    HA   ASP  16           HA       ASP  16   2.219  -2.464  10.138
  102   1HB   ASP  16          1HB       ASP  16  -0.607  -1.841  10.323
  103   2HB   ASP  16          1HB       ASP  16  -0.227  -3.551  10.345
  104    H    LEU  17           H        LEU  17   1.677  -1.683   7.207
  105    HA   LEU  17           HA       LEU  17   2.253  -4.258   6.261
  106   1HB   LEU  17          1HB       LEU  17  -0.530  -3.315   5.678
  107   2HB   LEU  17          1HB       LEU  17   0.318  -4.378   4.579
  108    HG   LEU  17           HG       LEU  17  -0.437  -4.945   7.428
  109   1HD1  LEU  17          1HD1      LEU  17  -1.251  -6.373   4.955
  110   2HD1  LEU  17          2HD1      LEU  17  -2.190  -5.073   5.631
  111   3HD1  LEU  17          3HD1      LEU  17  -1.904  -6.543   6.553
  112   1HD2  LEU  17          1HD2      LEU  17   1.607  -6.040   7.256
  113   2HD2  LEU  17          2HD2      LEU  17   1.383  -6.400   5.549
  114   3HD2  LEU  17          3HD2      LEU  17   0.447  -7.266   6.765
  115    H    VAL  18           H        VAL  18   3.763  -3.798   4.906
  116    HA   VAL  18           HA       VAL  18   3.314  -1.693   2.928
  117    HB   VAL  18           HB       VAL  18   6.005  -2.199   4.190
  118   1HG1  VAL  18          1HG1      VAL  18   6.201  -1.212   2.042
  119   2HG1  VAL  18          2HG1      VAL  18   6.475   0.070   3.221
  120   3HG1  VAL  18          3HG1      VAL  18   4.926  -0.044   2.387
  121   1HG2  VAL  18          1HG2      VAL  18   5.306  -1.146   6.021
  122   2HG2  VAL  18          2HG2      VAL  18   3.774  -0.697   5.274
  123   3HG2  VAL  18          3HG2      VAL  18   5.201   0.312   5.036
  124    H    ILE  19           H        ILE  19   3.572  -2.549   0.887
  125    HA   ILE  19           HA       ILE  19   5.458  -4.704   0.514
  126    HB   ILE  19           HB       ILE  19   3.735  -6.201  -0.370
  127   1HG1  ILE  19          1HG1      ILE  19   2.125  -4.411  -1.054
  128   2HG1  ILE  19          1HG1      ILE  19   1.382  -5.760  -0.205
  129   1HG2  ILE  19          1HG2      ILE  19   4.208  -5.749   2.281
  130   2HG2  ILE  19          2HG2      ILE  19   3.351  -7.119   1.604
  131   3HG2  ILE  19          3HG2      ILE  19   2.451  -5.730   2.197
  132   1HD1  ILE  19          1HD1      ILE  19   2.148  -3.261   1.249
  133   2HD1  ILE  19          2HD1      ILE  19   0.996  -4.500   1.711
  134   3HD1  ILE  19          3HD1      ILE  19   0.623  -3.398   0.388
  135    H    ARG  20           H        ARG  20   5.886  -5.108  -1.599
  136    HA   ARG  20           HA       ARG  20   5.072  -3.012  -3.440
  137   1HB   ARG  20          1HB       ARG  20   7.003  -3.361  -4.672
  138   2HB   ARG  20          1HB       ARG  20   7.541  -3.751  -3.052
  139   1HG   ARG  20          1HG       ARG  20   8.207  -5.732  -3.746
  140   2HG   ARG  20          1HG       ARG  20   6.574  -6.121  -4.247
  141   1HD   ARG  20          1HD       ARG  20   6.967  -5.598  -6.429
  142   2HD   ARG  20          1HD       ARG  20   8.146  -4.361  -6.023
  143    HE   ARG  20           HE       ARG  20   8.676  -7.255  -6.118
  144   1HH1  ARG  20          1HH1      ARG  20   9.849  -3.979  -5.993
  145   2HH1  ARG  20          2HH1      ARG  20  11.478  -4.430  -6.353
  146   1HH2  ARG  20          1HH2      ARG  20  10.795  -7.844  -6.620
  147   2HH2  ARG  20          2HH2      ARG  20  12.019  -6.622  -6.709
  148    H    ALA  21           H        ALA  21   3.829  -3.297  -4.961
  149    HA   ALA  21           HA       ALA  21   3.165  -5.845  -6.173
  150   1HB   ALA  21          1HB       ALA  21   1.832  -6.267  -4.363
  151   2HB   ALA  21          2HB       ALA  21   0.686  -5.617  -5.534
  152   3HB   ALA  21          3HB       ALA  21   1.287  -4.601  -4.221
  153    H    LYS  22           H        LYS  22   1.443  -5.834  -7.603
  154    HA   LYS  22           HA       LYS  22   1.138  -3.363  -9.159
  155   1HB   LYS  22          1HB       LYS  22   1.659  -6.160  -9.861
  156   2HB   LYS  22          1HB       LYS  22   0.426  -5.413 -10.855
  157   1HG   LYS  22          1HG       LYS  22   1.976  -3.743 -11.568
  158   2HG   LYS  22          1HG       LYS  22   3.165  -4.248 -10.376
  159   1HD   LYS  22          1HD       LYS  22   2.316  -6.342 -12.267
  160   2HD   LYS  22          1HD       LYS  22   3.166  -4.980 -12.987
  161   1HE   LYS  22          1HE       LYS  22   4.717  -6.755 -12.356
  162   2HE   LYS  22          1HE       LYS  22   5.013  -5.279 -11.439
  163   1HZ   LYS  22          1HZ       LYS  22   3.433  -6.447  -9.740
  164   2HZ   LYS  22          2HZ       LYS  22   5.077  -6.826  -9.788
  165   3HZ   LYS  22          3HZ       LYS  22   3.951  -7.851 -10.524
  166    H    PHE  23           H        PHE  23  -0.986  -3.044 -10.200
  167    HA   PHE  23           HA       PHE  23  -3.156  -4.162  -8.551
  168   1HB   PHE  23          1HB       PHE  23  -2.988  -1.674 -10.253
  169   2HB   PHE  23          1HB       PHE  23  -4.529  -2.316  -9.694
  170    HD1  PHE  23          1HD       PHE  23  -5.400  -1.432  -7.772
  171    HD2  PHE  23          2HD       PHE  23  -1.176  -1.457  -8.301
  172    HE1  PHE  23          1HE       PHE  23  -5.130  -0.234  -5.641
  173    HE2  PHE  23          2HE       PHE  23  -0.899  -0.257  -6.170
  174    HZ   PHE  23           HZ       PHE  23  -2.878   0.356  -4.838
  175    H    VAL  24           H        VAL  24  -4.347  -5.622  -9.246
  176    HA   VAL  24           HA       VAL  24  -4.752  -5.938 -12.103
  177    HB   VAL  24           HB       VAL  24  -4.211  -8.286 -11.916
  178   1HG1  VAL  24          1HG1      VAL  24  -2.381  -6.116 -11.732
  179   2HG1  VAL  24          2HG1      VAL  24  -2.213  -7.619 -12.620
  180   3HG1  VAL  24          3HG1      VAL  24  -1.712  -7.527 -10.949
  181   1HG2  VAL  24          1HG2      VAL  24  -4.004  -9.374  -9.994
  182   2HG2  VAL  24          2HG2      VAL  24  -4.499  -7.888  -9.184
  183   3HG2  VAL  24          3HG2      VAL  24  -2.796  -8.229  -9.443
  184    H    GLY  25           H        GLY  25  -6.689  -4.954 -10.391
  185   1HA   GLY  25          2HA       GLY  25  -8.843  -6.755 -10.830
  186   2HA   GLY  25          1HA       GLY  25  -8.455  -6.650  -9.130
  187    H    THR  26           H        THR  26 -10.935  -5.775 -10.127
  188    HA   THR  26           HA       THR  26 -10.758  -2.872 -10.221
  189    HB   THR  26           HB       THR  26 -12.152  -4.082 -11.856
  190    HG1  THR  26          1HG       THR  26 -14.230  -2.934 -11.083
  191   1HG2  THR  26          1HG2      THR  26 -13.822  -4.885  -9.485
  192   2HG2  THR  26          2HG2      THR  26 -12.886  -5.968 -10.516
  193   3HG2  THR  26          3HG2      THR  26 -14.265  -5.090 -11.179
  194    HA   PRO  27           HA       PRO  27 -12.146  -2.362  -6.051
  195   1HB   PRO  27          1HB       PRO  27 -13.011   0.140  -6.071
  196   2HB   PRO  27          1HB       PRO  27 -11.326  -0.245  -6.433
  197   1HG   PRO  27          1HG       PRO  27 -13.575   0.355  -8.318
  198   2HG   PRO  27          1HG       PRO  27 -11.912   0.961  -8.352
  199   1HD   PRO  27          1HD       PRO  27 -12.837  -1.143  -9.864
  200   2HD   PRO  27          1HD       PRO  27 -11.144  -0.912  -9.429
  201    H    GLU  28           H        GLU  28 -13.810  -3.071  -4.915
  202    HA   GLU  28           HA       GLU  28 -16.495  -3.026  -6.072
  203   1HB   GLU  28          1HB       GLU  28 -17.120  -4.543  -4.308
  204   2HB   GLU  28          1HB       GLU  28 -15.584  -5.081  -4.975
  205   1HG   GLU  28          1HG       GLU  28 -14.397  -4.327  -3.142
  206   2HG   GLU  28          1HG       GLU  28 -15.719  -3.349  -2.540
  207    H    VAL  29           H        VAL  29 -17.700  -1.230  -5.742
  208    HA   VAL  29           HA       VAL  29 -17.264   0.181  -3.210
  209    HB   VAL  29           HB       VAL  29 -18.634   1.474  -5.493
  210   1HG1  VAL  29          1HG1      VAL  29 -18.620   2.522  -3.256
  211   2HG1  VAL  29          2HG1      VAL  29 -17.818   3.497  -4.486
  212   3HG1  VAL  29          3HG1      VAL  29 -16.872   2.574  -3.339
  213   1HG2  VAL  29          1HG2      VAL  29 -16.746   0.868  -6.666
  214   2HG2  VAL  29          2HG2      VAL  29 -15.722   0.875  -5.232
  215   3HG2  VAL  29          3HG2      VAL  29 -16.237   2.399  -5.958
  216    H    ASN  30           H        ASN  30 -18.802  -0.600  -1.708
  217    HA   ASN  30           HA       ASN  30 -21.567  -0.644  -2.584
  218   1HB   ASN  30          1HB       ASN  30 -20.427  -2.123  -0.690
  219   2HB   ASN  30          1HB       ASN  30 -20.932  -0.776   0.326
  220   1HD2  ASN  30          1HD2      ASN  30 -22.994  -0.569   0.883
  221   2HD2  ASN  30          2HD2      ASN  30 -24.268  -1.610   0.382
  222    H    GLN  31           H        GLN  31 -23.153   0.439  -1.414
  223    HA   GLN  31           HA       GLN  31 -22.553   3.299  -1.190
  224   1HB   GLN  31          1HB       GLN  31 -25.246   1.922  -1.141
  225   2HB   GLN  31          1HB       GLN  31 -24.957   3.656  -1.248
  226   1HG   GLN  31          1HG       GLN  31 -23.981   1.716  -3.312
  227   2HG   GLN  31          1HG       GLN  31 -25.566   2.486  -3.389
  228   1HE2  GLN  31          1HE2      GLN  31 -22.120   2.983  -3.561
  229   2HE2  GLN  31          2HE2      GLN  31 -22.180   4.555  -4.274
  230    H    THR  32           H        THR  32 -22.791   0.608   0.698
  231    HA   THR  32           HA       THR  32 -23.223   2.163   3.119
  232    HB   THR  32           HB       THR  32 -24.891   0.060   1.897
  233    HG1  THR  32          1HG       THR  32 -25.241   2.279   3.556
  234   1HG2  THR  32          1HG2      THR  32 -25.064   0.044   4.860
  235   2HG2  THR  32          2HG2      THR  32 -23.894  -1.016   4.075
  236   3HG2  THR  32          3HG2      THR  32 -25.600  -1.142   3.677
  237    H    THR  33           H        THR  33 -20.781   1.340   2.095
  238    HA   THR  33           HA       THR  33 -20.033  -0.860   3.873
  239    HB   THR  33           HB       THR  33 -18.884  -1.547   2.055
  240    HG1  THR  33          1HG       THR  33 -17.152   0.436   1.859
  241   1HG2  THR  33          1HG2      THR  33 -19.782   0.912   0.846
  242   2HG2  THR  33          2HG2      THR  33 -19.421  -0.636   0.107
  243   3HG2  THR  33          3HG2      THR  33 -18.141   0.510   0.368
  244    H    LEU  34           H        LEU  34 -19.142   2.416   2.641
  245    HA   LEU  34           HA       LEU  34 -18.225   4.074   3.896
  246   1HB   LEU  34          1HB       LEU  34 -18.347   2.075   5.993
  247   2HB   LEU  34          1HB       LEU  34 -16.901   3.026   6.052
  248    HG   LEU  34           HG       LEU  34 -19.756   3.847   6.387
  249   1HD1  LEU  34          1HD1      LEU  34 -18.013   5.237   8.080
  250   2HD1  LEU  34          2HD1      LEU  34 -17.364   3.599   7.996
  251   3HD1  LEU  34          3HD1      LEU  34 -19.031   3.864   8.509
  252   1HD2  LEU  34          1HD2      LEU  34 -17.871   5.309   4.814
  253   2HD2  LEU  34          2HD2      LEU  34 -18.055   6.136   6.354
  254   3HD2  LEU  34          3HD2      LEU  34 -19.467   5.827   5.365
  255    H    TYR  35           H        TYR  35 -17.108   1.137   3.026
  256    HA   TYR  35           HA       TYR  35 -14.593   2.203   2.088
  257   1HB   TYR  35          1HB       TYR  35 -13.531  -0.091   2.673
  258   2HB   TYR  35          1HB       TYR  35 -13.485   1.287   3.707
  259    HD1  TYR  35          1HD       TYR  35 -16.613  -0.620   3.625
  260    HD2  TYR  35          2HD       TYR  35 -12.814  -0.068   5.400
  261    HE1  TYR  35          1HE       TYR  35 -17.353  -1.920   5.575
  262    HE2  TYR  35          2HE       TYR  35 -13.518  -1.353   7.354
  263    HH   TYR  35           HH       TYR  35 -16.660  -2.958   7.474
  264    H    GLN  36           H        GLN  36 -13.242   0.308   0.840
  265    HA   GLN  36           HA       GLN  36 -14.999  -1.100  -0.920
  266   1HB   GLN  36          1HB       GLN  36 -13.204   1.215  -1.706
  267   2HB   GLN  36          1HB       GLN  36 -13.998   0.135  -2.847
  268   1HG   GLN  36          1HG       GLN  36 -16.023   1.099  -2.515
  269   2HG   GLN  36          1HG       GLN  36 -15.631   1.635  -0.903
  270   1HE2  GLN  36          1HE2      GLN  36 -15.066   2.239  -4.279
  271   2HE2  GLN  36          2HE2      GLN  36 -14.681   3.909  -4.127
  272    H    ARG  37           H        ARG  37 -13.497  -2.423  -2.387
  273    HA   ARG  37           HA       ARG  37 -10.782  -2.580  -1.274
  274   1HB   ARG  37          1HB       ARG  37 -10.795  -4.983  -1.260
  275   2HB   ARG  37          1HB       ARG  37 -12.158  -4.397  -0.322
  276   1HG   ARG  37          1HG       ARG  37 -13.621  -4.853  -2.179
  277   2HG   ARG  37          1HG       ARG  37 -12.280  -5.475  -3.125
  278   1HD   ARG  37          1HD       ARG  37 -12.748  -6.620  -0.429
  279   2HD   ARG  37          1HD       ARG  37 -13.895  -7.042  -1.698
  280    HE   ARG  37           HE       ARG  37 -11.232  -7.378  -2.598
  281   1HH1  ARG  37          1HH1      ARG  37 -13.649  -8.863  -0.561
  282   2HH1  ARG  37          2HH1      ARG  37 -13.010 -10.460  -0.762
  283   1HH2  ARG  37          1HH2      ARG  37 -10.422  -9.479  -2.846
  284   2HH2  ARG  37          2HH2      ARG  37 -11.175 -10.809  -2.056
  285    H    TYR  38           H        TYR  38  -9.232  -3.614  -2.633
  286    HA   TYR  38           HA       TYR  38  -9.817  -3.537  -5.530
  287   1HB   TYR  38          1HB       TYR  38  -7.800  -1.928  -4.061
  288   2HB   TYR  38          1HB       TYR  38  -7.216  -2.724  -5.512
  289    HD1  TYR  38          1HD       TYR  38  -8.797  -2.353  -7.639
  290    HD2  TYR  38          2HD       TYR  38  -8.597   0.215  -4.254
  291    HE1  TYR  38          1HE       TYR  38  -9.602  -0.480  -9.006
  292    HE2  TYR  38          2HE       TYR  38  -9.421   2.080  -5.606
  293    HH   TYR  38           HH       TYR  38  -9.490   2.741  -7.988
  294    H    GLU  39           H        GLU  39  -8.472  -4.967  -6.787
  295    HA   GLU  39           HA       GLU  39  -7.100  -6.997  -5.172
  296   1HB   GLU  39          1HB       GLU  39  -9.024  -7.592  -6.795
  297   2HB   GLU  39          1HB       GLU  39  -7.875  -7.238  -8.064
  298   1HG   GLU  39          1HG       GLU  39  -6.352  -8.932  -6.979
  299   2HG   GLU  39          1HG       GLU  39  -7.753  -9.413  -6.052
  300    H    ILE  40           H        ILE  40  -4.905  -7.272  -5.436
  301    HA   ILE  40           HA       ILE  40  -3.694  -5.898  -7.720
  302    HB   ILE  40           HB       ILE  40  -1.882  -5.066  -6.194
  303   1HG1  ILE  40          1HG1      ILE  40  -3.754  -5.007  -3.931
  304   2HG1  ILE  40          1HG1      ILE  40  -3.087  -6.590  -4.309
  305   1HG2  ILE  40          1HG2      ILE  40  -3.780  -3.348  -5.203
  306   2HG2  ILE  40          2HG2      ILE  40  -4.544  -4.024  -6.642
  307   3HG2  ILE  40          3HG2      ILE  40  -2.973  -3.243  -6.761
  308   1HD1  ILE  40          1HD1      ILE  40  -1.901  -4.585  -2.804
  309   2HD1  ILE  40          2HD1      ILE  40  -1.019  -4.605  -4.332
  310   3HD1  ILE  40          3HD1      ILE  40  -1.160  -6.079  -3.375
  311    H    LYS  41           H        LYS  41  -1.990  -6.753  -8.606
  312    HA   LYS  41           HA       LYS  41  -1.243  -9.384  -7.951
  313   1HB   LYS  41          1HB       LYS  41  -1.156  -8.184 -10.222
  314   2HB   LYS  41          1HB       LYS  41   0.384  -7.560  -9.692
  315   1HG   LYS  41          1HG       LYS  41   1.042  -9.363 -10.898
  316   2HG   LYS  41          1HG       LYS  41   0.894 -10.097  -9.300
  317   1HD   LYS  41          1HD       LYS  41  -1.645 -10.167 -10.651
  318   2HD   LYS  41          1HD       LYS  41  -0.395 -10.868 -11.682
  319   1HE   LYS  41          1HE       LYS  41  -1.152 -12.681 -10.430
  320   2HE   LYS  41          1HE       LYS  41   0.314 -12.175  -9.591
  321   1HZ   LYS  41          1HZ       LYS  41  -1.295 -10.796  -8.180
  322   2HZ   LYS  41          2HZ       LYS  41  -1.203 -12.451  -7.891
  323   3HZ   LYS  41          3HZ       LYS  41  -2.496 -11.817  -8.778
  324    H    MET  42           H        MET  42  -0.639  -9.133  -5.770
  325    HA   MET  42           HA       MET  42   1.287  -7.510  -4.722
  326   1HB   MET  42          1HB       MET  42  -0.079  -8.512  -3.215
  327   2HB   MET  42          1HB       MET  42   0.004 -10.073  -4.000
  328   1HG   MET  42          1HG       MET  42   2.546  -9.242  -2.836
  329   2HG   MET  42          1HG       MET  42   1.233  -9.353  -1.661
  330   1HE   MET  42          1HE       MET  42   3.920 -12.152  -2.008
  331   2HE   MET  42          2HE       MET  42   3.940 -10.728  -3.047
  332   3HE   MET  42          3HE       MET  42   3.641 -12.323  -3.740
  333    H    THR  43           H        THR  43   3.450  -7.325  -5.071
  334    HA   THR  43           HA       THR  43   4.792  -9.487  -6.385
  335    HB   THR  43           HB       THR  43   6.205  -7.080  -5.411
  336    HG1  THR  43          1HG       THR  43   4.520  -7.021  -7.670
  337   1HG2  THR  43          1HG2      THR  43   7.145  -8.977  -6.925
  338   2HG2  THR  43          2HG2      THR  43   7.551  -7.294  -7.235
  339   3HG2  THR  43          3HG2      THR  43   6.315  -8.082  -8.193
  340    H    LYS  44           H        LYS  44   5.681  -7.517  -3.492
  341    HA   LYS  44           HA       LYS  44   6.286  -9.888  -1.955
  342   1HB   LYS  44          1HB       LYS  44   8.348  -8.979  -3.453
  343   2HB   LYS  44          1HB       LYS  44   8.545  -7.967  -2.030
  344   1HG   LYS  44          1HG       LYS  44   9.775  -9.670  -1.268
  345   2HG   LYS  44          1HG       LYS  44   8.215 -10.402  -0.888
  346   1HD   LYS  44          1HD       LYS  44   8.572 -11.064  -3.532
  347   2HD   LYS  44          1HD       LYS  44  10.210 -11.162  -2.881
  348   1HE   LYS  44          1HE       LYS  44   9.189 -13.314  -2.657
  349   2HE   LYS  44          1HE       LYS  44   9.320 -12.598  -1.050
  350   1HZ   LYS  44          1HZ       LYS  44   7.025 -13.535  -2.340
  351   2HZ   LYS  44          2HZ       LYS  44   6.849 -11.864  -2.148
  352   3HZ   LYS  44          3HZ       LYS  44   7.149 -12.843  -0.801
  353    H    MET  45           H        MET  45   6.454  -9.407   0.319
  354    HA   MET  45           HA       MET  45   5.307  -6.838   1.072
  355   1HB   MET  45          1HB       MET  45   4.902  -7.940   3.268
  356   2HB   MET  45          1HB       MET  45   4.181  -8.800   1.920
  357   1HG   MET  45          1HG       MET  45   6.874  -9.581   2.926
  358   2HG   MET  45          1HG       MET  45   5.421 -10.123   3.755
  359   1HE   MET  45          1HE       MET  45   7.992 -11.262   1.196
  360   2HE   MET  45          2HE       MET  45   7.251 -12.863   1.233
  361   3HE   MET  45          3HE       MET  45   7.563 -12.001   2.739
  362    H    TYR  46           H        TYR  46   6.434  -5.262   2.226
  363    HA   TYR  46           HA       TYR  46   9.141  -5.974   3.147
  364   1HB   TYR  46          1HB       TYR  46   8.112  -3.256   2.319
  365   2HB   TYR  46          1HB       TYR  46   9.770  -3.660   2.746
  366    HD1  TYR  46          1HD       TYR  46   7.243  -5.080   0.369
  367    HD2  TYR  46          2HD       TYR  46  11.182  -3.572   0.921
  368    HE1  TYR  46          1HE       TYR  46   7.726  -5.493  -1.986
  369    HE2  TYR  46          2HE       TYR  46  11.673  -3.982  -1.449
  370    HH   TYR  46           HH       TYR  46  10.677  -4.369  -3.499
  371    H    LYS  47           H        LYS  47   6.436  -5.973   4.617
  372    HA   LYS  47           HA       LYS  47   7.256  -5.168   7.145
  373   1HB   LYS  47          1HB       LYS  47   7.081  -2.844   6.242
  374   2HB   LYS  47          1HB       LYS  47   5.384  -3.151   5.883
  375   1HG   LYS  47          1HG       LYS  47   5.173  -2.090   7.882
  376   2HG   LYS  47          1HG       LYS  47   5.280  -3.763   8.431
  377   1HD   LYS  47          1HD       LYS  47   7.653  -3.477   8.893
  378   2HD   LYS  47          1HD       LYS  47   7.582  -1.817   8.293
  379   1HE   LYS  47          1HE       LYS  47   7.272  -1.306  10.464
  380   2HE   LYS  47          1HE       LYS  47   5.602  -1.768  10.134
  381   1HZ   LYS  47          1HZ       LYS  47   7.180  -4.041  10.783
  382   2HZ   LYS  47          2HZ       LYS  47   5.772  -3.468  11.525
  383   3HZ   LYS  47          3HZ       LYS  47   7.282  -2.877  12.007
  384    H    GLY  48           H        GLY  48   6.146  -6.740   8.125
  385   1HA   GLY  48          2HA       GLY  48   3.650  -6.941   8.957
  386   2HA   GLY  48          1HA       GLY  48   3.437  -7.396   7.269
  387    H    PHE  49           H        PHE  49   6.465  -8.400   7.974
  388    HA   PHE  49           HA       PHE  49   6.084 -11.059   7.751
  389   1HB   PHE  49          1HB       PHE  49   8.210  -9.518   9.189
  390   2HB   PHE  49          1HB       PHE  49   8.269 -11.272   9.065
  391    HD1  PHE  49          1HD       PHE  49   9.684 -12.054   7.448
  392    HD2  PHE  49          2HD       PHE  49   7.605  -8.409   6.744
  393    HE1  PHE  49          1HE       PHE  49  10.776 -11.853   5.253
  394    HE2  PHE  49          2HE       PHE  49   8.685  -8.206   4.553
  395    HZ   PHE  49           HZ       PHE  49  10.276  -9.928   3.802
  396    H    GLN  50           H        GLN  50   6.381  -9.321  10.914
  397    HA   GLN  50           HA       GLN  50   5.980 -11.611  12.433
  398   1HB   GLN  50          1HB       GLN  50   6.487  -8.913  12.915
  399   2HB   GLN  50          1HB       GLN  50   4.959  -9.228  13.730
  400   1HG   GLN  50          1HG       GLN  50   5.942 -11.038  14.969
  401   2HG   GLN  50          1HG       GLN  50   7.455 -10.867  14.081
  402   1HE2  GLN  50          1HE2      GLN  50   5.272  -9.209  16.292
  403   2HE2  GLN  50          2HE2      GLN  50   6.484  -8.242  17.054
  404    H    ALA  51           H        ALA  51   3.709  -9.509  10.823
  405    HA   ALA  51           HA       ALA  51   1.427 -10.694  12.202
  406   1HB   ALA  51          1HB       ALA  51   0.124  -9.125  11.065
  407   2HB   ALA  51          2HB       ALA  51   1.212  -9.100   9.677
  408   3HB   ALA  51          3HB       ALA  51   1.664  -8.272  11.164
  409    H    LEU  52           H        LEU  52   2.792 -10.522   8.906
  410    HA   LEU  52           HA       LEU  52   2.089 -13.287   8.435
  411   1HB   LEU  52          1HB       LEU  52   0.903 -12.281   6.264
  412   2HB   LEU  52          1HB       LEU  52   0.036 -12.645   7.743
  413    HG   LEU  52           HG       LEU  52   0.546 -10.198   8.398
  414   1HD1  LEU  52          1HD1      LEU  52   0.693  -8.706   6.422
  415   2HD1  LEU  52          2HD1      LEU  52   1.060 -10.112   5.449
  416   3HD1  LEU  52          3HD1      LEU  52   2.151  -9.633   6.745
  417   1HD2  LEU  52          1HD2      LEU  52  -1.645 -11.375   7.358
  418   2HD2  LEU  52          2HD2      LEU  52  -1.352 -10.116   6.157
  419   3HD2  LEU  52          3HD2      LEU  52  -1.565  -9.685   7.852
  420    H    GLY  53           H        GLY  53   4.405 -13.359   8.231
  421   1HA   GLY  53          2HA       GLY  53   5.356 -12.250   5.666
  422   2HA   GLY  53          1HA       GLY  53   6.397 -12.597   7.039
  423    H    ASP  54           H        ASP  54   3.836 -14.589   5.707
  424    HA   ASP  54           HA       ASP  54   5.859 -16.549   4.878
  425   1HB   ASP  54          1HB       ASP  54   4.153 -18.316   5.519
  426   2HB   ASP  54          1HB       ASP  54   4.912 -17.468   6.861
  427    H    ALA  55           H        ALA  55   2.352 -16.048   4.615
  428    HA   ALA  55           HA       ALA  55   2.582 -16.033   1.714
  429   1HB   ALA  55          1HB       ALA  55   0.455 -17.746   2.884
  430   2HB   ALA  55          2HB       ALA  55   2.101 -18.370   2.797
  431   3HB   ALA  55          3HB       ALA  55   1.272 -17.862   1.326
  432    H    ALA  56           H        ALA  56   1.092 -14.895   4.557
  433    HA   ALA  56           HA       ALA  56  -1.162 -13.721   3.072
  434   1HB   ALA  56          1HB       ALA  56  -0.744 -14.018   6.045
  435   2HB   ALA  56          2HB       ALA  56  -1.828 -14.972   5.035
  436   3HB   ALA  56          3HB       ALA  56  -2.136 -13.254   5.273
  437    H    ASP  57           H        ASP  57   0.996 -12.613   2.290
  438    HA   ASP  57           HA       ASP  57   1.524 -10.294   3.884
  439   1HB   ASP  57          1HB       ASP  57   2.848  -9.513   2.020
  440   2HB   ASP  57          1HB       ASP  57   3.251 -11.180   2.392
  441    H    ILE  58           H        ILE  58   0.868  -9.036   0.763
  442    HA   ILE  58           HA       ILE  58  -1.975  -8.976   1.396
  443    HB   ILE  58           HB       ILE  58  -0.289  -6.516   1.395
  444   1HG1  ILE  58          1HG1      ILE  58  -1.787  -6.545   3.601
  445   2HG1  ILE  58          1HG1      ILE  58  -1.720  -8.282   3.293
  446   1HG2  ILE  58          1HG2      ILE  58  -3.292  -6.631   1.637
  447   2HG2  ILE  58          2HG2      ILE  58  -2.473  -6.222   0.128
  448   3HG2  ILE  58          3HG2      ILE  58  -2.255  -5.223   1.550
  449   1HD1  ILE  58          1HD1      ILE  58   0.434  -8.434   3.903
  450   2HD1  ILE  58          2HD1      ILE  58   0.116  -6.917   4.701
  451   3HD1  ILE  58          3HD1      ILE  58   0.873  -6.909   3.130
  452    H    ARG  59           H        ARG  59  -3.228  -9.199  -0.174
  453    HA   ARG  59           HA       ARG  59  -2.252  -8.657  -2.871
  454   1HB   ARG  59          1HB       ARG  59  -4.134 -10.673  -1.685
  455   2HB   ARG  59          1HB       ARG  59  -3.959 -10.455  -3.424
  456   1HG   ARG  59          1HG       ARG  59  -1.576 -10.971  -3.214
  457   2HG   ARG  59          1HG       ARG  59  -1.791 -11.230  -1.488
  458   1HD   ARG  59          1HD       ARG  59  -1.965 -13.384  -2.230
  459   2HD   ARG  59          1HD       ARG  59  -3.654 -12.895  -2.296
  460    HE   ARG  59           HE       ARG  59  -1.848 -13.180  -4.597
  461   1HH1  ARG  59          1HH1      ARG  59  -5.077 -12.783  -3.318
  462   2HH1  ARG  59          2HH1      ARG  59  -5.847 -13.124  -4.829
  463   1HH2  ARG  59          1HH2      ARG  59  -2.870 -13.633  -6.580
  464   2HH2  ARG  59          2HH2      ARG  59  -4.598 -13.606  -6.677
  465    H    PHE  60           H        PHE  60  -4.809  -7.931  -0.704
  466    HA   PHE  60           HA       PHE  60  -6.222  -6.308  -2.671
  467   1HB   PHE  60          1HB       PHE  60  -7.442  -8.008  -0.484
  468   2HB   PHE  60          1HB       PHE  60  -8.324  -6.883  -1.507
  469    HD1  PHE  60          1HD       PHE  60  -9.190  -7.556  -3.547
  470    HD2  PHE  60          2HD       PHE  60  -6.305  -9.984  -1.583
  471    HE1  PHE  60          1HE       PHE  60  -9.613  -9.362  -5.163
  472    HE2  PHE  60          2HE       PHE  60  -6.722 -11.794  -3.195
  473    HZ   PHE  60           HZ       PHE  60  -8.379 -11.486  -4.986
  474    H    VAL  61           H        VAL  61  -6.774  -4.438  -2.074
  475    HA   VAL  61           HA       VAL  61  -5.841  -3.485   0.533
  476    HB   VAL  61           HB       VAL  61  -5.164  -1.598  -0.494
  477   1HG1  VAL  61          1HG1      VAL  61  -4.643  -3.932  -2.002
  478   2HG1  VAL  61          2HG1      VAL  61  -3.588  -2.570  -1.635
  479   3HG1  VAL  61          3HG1      VAL  61  -4.646  -2.510  -3.044
  480   1HG2  VAL  61          1HG2      VAL  61  -7.494  -1.861  -2.196
  481   2HG2  VAL  61          2HG2      VAL  61  -6.079  -1.181  -2.987
  482   3HG2  VAL  61          3HG2      VAL  61  -6.724  -0.420  -1.536
  483    H    TYR  62           H        TYR  62  -7.231  -2.708   1.951
  484    HA   TYR  62           HA       TYR  62  -9.917  -2.021   1.047
  485   1HB   TYR  62          1HB       TYR  62  -8.995  -2.840   3.791
  486   2HB   TYR  62          1HB       TYR  62 -10.657  -2.505   3.325
  487    HD1  TYR  62          1HD       TYR  62  -7.817  -4.571   1.956
  488    HD2  TYR  62          2HD       TYR  62 -11.945  -4.362   3.000
  489    HE1  TYR  62          1HE       TYR  62  -8.104  -6.894   1.257
  490    HE2  TYR  62          2HE       TYR  62 -12.238  -6.697   2.295
  491    HH   TYR  62           HH       TYR  62 -10.165  -8.837   2.046
  492    H    THR  63           H        THR  63 -10.228  -0.019   0.725
  493    HA   THR  63           HA       THR  63  -9.311   2.090   2.575
  494    HB   THR  63           HB       THR  63  -8.644   3.104   0.623
  495    HG1  THR  63          1HG       THR  63 -10.636   4.195   1.046
  496   1HG2  THR  63          1HG2      THR  63 -10.508   1.986  -1.329
  497   2HG2  THR  63          2HG2      THR  63  -9.457   0.779  -0.585
  498   3HG2  THR  63          3HG2      THR  63  -8.756   2.166  -1.404
  499    HA   PRO  64           HA       PRO  64 -13.595   2.757   3.662
  500   1HB   PRO  64          1HB       PRO  64 -13.019   5.579   4.048
  501   2HB   PRO  64          1HB       PRO  64 -13.488   4.362   5.235
  502   1HG   PRO  64          1HG       PRO  64 -11.007   5.444   5.148
  503   2HG   PRO  64          1HG       PRO  64 -11.316   3.787   5.700
  504   1HD   PRO  64          1HD       PRO  64 -10.272   4.748   3.071
  505   2HD   PRO  64          1HD       PRO  64  -9.799   3.321   4.013
  506    H    ALA  65           H        ALA  65 -15.403   3.605   2.651
  507    HA   ALA  65           HA       ALA  65 -14.989   4.883   0.107
  508   1HB   ALA  65          1HB       ALA  65 -17.114   3.039   1.107
  509   2HB   ALA  65          2HB       ALA  65 -16.017   2.833  -0.243
  510   3HB   ALA  65          3HB       ALA  65 -17.333   3.986  -0.364
  511    H    MET  66           H        MET  66 -15.315   6.214   2.803
  512    HA   MET  66           HA       MET  66 -17.869   7.411   2.903
  513   1HB   MET  66          1HB       MET  66 -15.673   9.071   3.946
  514   2HB   MET  66          1HB       MET  66 -17.159   8.552   4.712
  515   1HG   MET  66          1HG       MET  66 -15.699   6.221   4.552
  516   2HG   MET  66          1HG       MET  66 -14.485   7.442   4.895
  517   1HE   MET  66          1HE       MET  66 -16.648   9.439   6.270
  518   2HE   MET  66          2HE       MET  66 -15.122   9.344   7.146
  519   3HE   MET  66          3HE       MET  66 -16.643   9.072   7.995
  520    H    GLU  67           H        GLU  67 -18.138   9.870   2.779
  521    HA   GLU  67           HA       GLU  67 -18.032  10.664   0.124
  522   1HB   GLU  67          1HB       GLU  67 -19.310  11.594   2.278
  523   2HB   GLU  67          1HB       GLU  67 -18.025  12.790   2.204
  524   1HG   GLU  67          1HG       GLU  67 -18.656  13.300  -0.114
  525   2HG   GLU  67          1HG       GLU  67 -19.976  12.138   0.009
  526    H    SER  68           H        SER  68 -16.220  12.366   2.691
  527    HA   SER  68           HA       SER  68 -14.104  12.883   0.707
  528   1HB   SER  68          1HB       SER  68 -13.516  14.826   2.217
  529   2HB   SER  68          1HB       SER  68 -15.088  14.947   1.428
  530    HG   SER  68           HG       SER  68 -16.085  14.613   3.307
  531    H    VAL  69           H        VAL  69 -13.839  10.478   1.705
  532    HA   VAL  69           HA       VAL  69 -12.124  10.559   4.071
  533    HB   VAL  69           HB       VAL  69 -13.900   8.876   3.970
  534   1HG1  VAL  69          1HG1      VAL  69 -12.457   8.023   1.488
  535   2HG1  VAL  69          2HG1      VAL  69 -14.176   8.329   1.727
  536   3HG1  VAL  69          3HG1      VAL  69 -13.436   6.885   2.413
  537   1HG2  VAL  69          1HG2      VAL  69 -11.338   7.355   3.781
  538   2HG2  VAL  69          2HG2      VAL  69 -12.674   7.158   4.913
  539   3HG2  VAL  69          3HG2      VAL  69 -11.583   8.528   5.073
  540    H    CYS  70           H        CYS  70 -10.129   9.200   4.059
  541    HA   CYS  70           HA       CYS  70  -8.650   9.678   1.586
  542   1HB   CYS  70          1HB       CYS  70  -7.429   8.680   4.148
  543   2HB   CYS  70          1HB       CYS  70  -6.662   9.569   2.837
  544    H    GLY  71           H        GLY  71 -10.094   8.065   0.874
  545   1HA   GLY  71          2HA       GLY  71  -9.689   5.338   1.466
  546   2HA   GLY  71          1HA       GLY  71 -10.498   5.955   0.030
  547    H    TYR  72           H        TYR  72  -9.534   5.703  -1.807
  548    HA   TYR  72           HA       TYR  72  -6.754   5.950  -2.200
  549   1HB   TYR  72          1HB       TYR  72  -7.000   3.657  -1.104
  550   2HB   TYR  72          1HB       TYR  72  -7.754   3.149  -2.610
  551    HD1  TYR  72          1HD       TYR  72  -4.621   4.310  -1.067
  552    HD2  TYR  72          2HD       TYR  72  -6.457   2.759  -4.574
  553    HE1  TYR  72          1HE       TYR  72  -2.401   3.853  -2.016
  554    HE2  TYR  72          2HE       TYR  72  -4.244   2.301  -5.537
  555    HH   TYR  72           HH       TYR  72  -2.018   2.112  -5.044
  556    H    PHE  73           H        PHE  73  -7.807   7.432  -3.784
  557    HA   PHE  73           HA       PHE  73  -9.336   6.322  -5.887
  558   1HB   PHE  73          1HB       PHE  73  -8.100   8.946  -5.292
  559   2HB   PHE  73          1HB       PHE  73  -8.355   8.597  -6.999
  560    HD1  PHE  73          1HD       PHE  73 -10.629   8.236  -7.865
  561    HD2  PHE  73          2HD       PHE  73  -9.940   9.357  -3.816
  562    HE1  PHE  73          1HE       PHE  73 -12.995   8.879  -7.642
  563    HE2  PHE  73          2HE       PHE  73 -12.305  10.001  -3.588
  564    HZ   PHE  73           HZ       PHE  73 -13.835   9.762  -5.503
  565    H    HIS  74           H        HIS  74  -8.490   4.692  -6.969
  566    HA   HIS  74           HA       HIS  74  -5.713   4.989  -7.865
  567   1HB   HIS  74          1HB       HIS  74  -5.787   3.012  -6.734
  568   2HB   HIS  74          1HB       HIS  74  -7.408   2.619  -7.274
  569    HD1  HIS  74          1HD       HIS  74  -7.462   0.771  -8.926
  570    HD2  HIS  74          2HD       HIS  74  -3.841   2.791  -9.012
  571    HE1  HIS  74          1HE       HIS  74  -6.041  -0.474 -10.583
  572    HE2  HIS  74          2HE       HIS  74  -3.826   0.719 -10.561
  573    H    ARG  75           H        ARG  75  -5.231   5.577  -9.716
  574    HA   ARG  75           HA       ARG  75  -6.993   5.023 -12.008
  575   1HB   ARG  75          1HB       ARG  75  -5.546   7.516 -11.174
  576   2HB   ARG  75          1HB       ARG  75  -5.844   7.220 -12.880
  577   1HG   ARG  75          1HG       ARG  75  -7.519   8.675 -11.738
  578   2HG   ARG  75          1HG       ARG  75  -8.192   7.277 -12.572
  579   1HD   ARG  75          1HD       ARG  75  -7.845   6.256 -10.119
  580   2HD   ARG  75          1HD       ARG  75  -8.124   7.931  -9.698
  581    HE   ARG  75           HE       ARG  75 -10.315   7.567 -10.143
  582   1HH1  ARG  75          1HH1      ARG  75  -8.472   5.251 -11.982
  583   2HH1  ARG  75          2HH1      ARG  75  -9.859   4.479 -12.657
  584   1HH2  ARG  75          1HH2      ARG  75 -12.149   6.553 -11.037
  585   2HH2  ARG  75          2HH2      ARG  75 -11.946   5.218 -12.122
  586    H    SER  76           H        SER  76  -4.876   3.357 -11.119
  587    HA   SER  76           HA       SER  76  -2.859   3.808 -13.205
  588   1HB   SER  76          1HB       SER  76  -2.461   2.067 -10.775
  589   2HB   SER  76          1HB       SER  76  -1.237   2.711 -11.867
  590    HG   SER  76           HG       SER  76  -2.674   4.006  -9.840
  591    H    HIS  77           H        HIS  77  -4.024   2.763 -14.849
  592    HA   HIS  77           HA       HIS  77  -4.409  -0.140 -14.530
  593   1HB   HIS  77          1HB       HIS  77  -5.690   0.144 -16.744
  594   2HB   HIS  77          1HB       HIS  77  -6.442   0.771 -15.281
  595    HD1  HIS  77          1HD       HIS  77  -7.114   3.176 -15.319
  596    HD2  HIS  77          2HD       HIS  77  -4.455   2.240 -18.373
  597    HE1  HIS  77          1HE       HIS  77  -6.983   5.235 -16.756
  598    HE2  HIS  77          2HE       HIS  77  -5.297   4.676 -18.541
  599    H    ASN  78           H        ASN  78  -2.018  -0.249 -14.701
  600    HA   ASN  78           HA       ASN  78  -0.943   0.173 -17.338
  601   1HB   ASN  78          1HB       ASN  78   0.096   0.799 -14.980
  602   2HB   ASN  78          1HB       ASN  78   0.687  -0.856 -15.065
  603   1HD2  ASN  78          1HD2      ASN  78   2.351  -1.346 -16.417
  604   2HD2  ASN  78          2HD2      ASN  78   3.180  -0.187 -17.392
  605    H    ARG  79           H        ARG  79   1.056  -1.664 -17.127
  606    HA   ARG  79           HA       ARG  79  -0.361  -4.159 -17.574
  607   1HB   ARG  79          1HB       ARG  79   1.609  -2.669 -19.151
  608   2HB   ARG  79          1HB       ARG  79   2.055  -4.356 -18.945
  609   1HG   ARG  79          1HG       ARG  79   0.825  -4.554 -20.838
  610   2HG   ARG  79          1HG       ARG  79  -0.486  -4.702 -19.673
  611   1HD   ARG  79          1HD       ARG  79  -1.105  -2.403 -19.980
  612   2HD   ARG  79          1HD       ARG  79   0.342  -2.086 -20.934
  613    HE   ARG  79           HE       ARG  79  -0.823  -2.772 -22.764
  614   1HH1  ARG  79          1HH1      ARG  79  -2.250  -4.303 -19.971
  615   2HH1  ARG  79          2HH1      ARG  79  -3.511  -5.066 -20.877
  616   1HH2  ARG  79          1HH2      ARG  79  -2.501  -3.763 -23.956
  617   2HH2  ARG  79          2HH2      ARG  79  -3.659  -4.757 -23.133
  618    H    SER  80           H        SER  80   2.717  -3.424 -17.475
  619    HA   SER  80           HA       SER  80   3.381  -5.202 -15.181
  620   1HB   SER  80          1HB       SER  80   4.392  -5.926 -17.336
  621   2HB   SER  80          1HB       SER  80   5.469  -4.531 -17.236
  622    HG   SER  80           HG       SER  80   6.292  -5.361 -15.313
  623    H    GLU  81           H        GLU  81   2.587  -2.816 -14.361
  624    HA   GLU  81           HA       GLU  81   5.088  -1.416 -13.695
  625   1HB   GLU  81          1HB       GLU  81   2.906  -0.268 -14.686
  626   2HB   GLU  81          1HB       GLU  81   2.472  -0.199 -12.986
  627   1HG   GLU  81          1HG       GLU  81   4.609   0.942 -12.525
  628   2HG   GLU  81          1HG       GLU  81   4.954   0.935 -14.253
  629    H    GLU  82           H        GLU  82   5.937  -2.302 -11.888
  630    HA   GLU  82           HA       GLU  82   4.320  -3.310  -9.738
  631   1HB   GLU  82          1HB       GLU  82   6.819  -3.236  -8.669
  632   2HB   GLU  82          1HB       GLU  82   6.173  -4.576  -9.601
  633   1HG   GLU  82          1HG       GLU  82   7.177  -3.505 -11.635
  634   2HG   GLU  82          1HG       GLU  82   7.958  -2.371 -10.540
  635    H    PHE  83           H        PHE  83   4.249  -2.586  -7.633
  636    HA   PHE  83           HA       PHE  83   4.919   0.257  -7.301
  637   1HB   PHE  83          1HB       PHE  83   2.326  -1.098  -6.995
  638   2HB   PHE  83          1HB       PHE  83   2.709   0.121  -5.790
  639    HD1  PHE  83          1HD       PHE  83   1.666  -0.515  -9.167
  640    HD2  PHE  83          2HD       PHE  83   3.237   2.440  -6.556
  641    HE1  PHE  83          1HE       PHE  83   0.974   1.242 -10.745
  642    HE2  PHE  83          2HE       PHE  83   2.529   4.195  -8.126
  643    HZ   PHE  83           HZ       PHE  83   1.416   3.604 -10.222
  644    H    LEU  84           H        LEU  84   4.353   0.978  -5.149
  645    HA   LEU  84           HA       LEU  84   5.569  -0.675  -3.002
  646   1HB   LEU  84          1HB       LEU  84   7.125   1.132  -3.764
  647   2HB   LEU  84          1HB       LEU  84   5.934   2.318  -3.285
  648    HG   LEU  84           HG       LEU  84   7.841   1.981  -1.691
  649   1HD1  LEU  84          1HD1      LEU  84   5.841   3.093  -0.971
  650   2HD1  LEU  84          2HD1      LEU  84   6.404   2.024   0.313
  651   3HD1  LEU  84          3HD1      LEU  84   5.038   1.552  -0.687
  652   1HD2  LEU  84          1HD2      LEU  84   7.854  -0.522  -1.943
  653   2HD2  LEU  84          2HD2      LEU  84   6.413  -0.551  -0.926
  654   3HD2  LEU  84          3HD2      LEU  84   7.930   0.084  -0.288
  655    H    ILE  85           H        ILE  85   4.228  -0.938  -1.271
  656    HA   ILE  85           HA       ILE  85   2.010   1.004  -1.016
  657    HB   ILE  85           HB       ILE  85   1.840  -2.009  -0.871
  658   1HG1  ILE  85          1HG1      ILE  85   0.419  -0.102  -2.738
  659   2HG1  ILE  85          1HG1      ILE  85   1.977  -0.827  -3.124
  660   1HG2  ILE  85          1HG2      ILE  85  -0.492  -1.801  -0.399
  661   2HG2  ILE  85          2HG2      ILE  85  -0.435  -0.046  -0.556
  662   3HG2  ILE  85          3HG2      ILE  85   0.369  -0.838   0.801
  663   1HD1  ILE  85          1HD1      ILE  85   0.917  -3.063  -2.848
  664   2HD1  ILE  85          2HD1      ILE  85   0.275  -2.104  -4.182
  665   3HD1  ILE  85          3HD1      ILE  85  -0.635  -2.243  -2.678
  666    H    ALA  86           H        ALA  86   2.197   1.987   0.763
  667    HA   ALA  86           HA       ALA  86   3.022   0.659   3.310
  668   1HB   ALA  86          1HB       ALA  86   4.284   2.710   2.954
  669   2HB   ALA  86          2HB       ALA  86   3.160   2.952   4.291
  670   3HB   ALA  86          3HB       ALA  86   2.796   3.618   2.704
  671    H    GLY  87           H        GLY  87   1.319  -0.076   4.472
  672   1HA   GLY  87          2HA       GLY  87  -0.991   1.531   5.034
  673   2HA   GLY  87          1HA       GLY  87  -1.378   0.232   3.921
  674    H    LYS  88           H        LYS  88  -1.924   0.943   6.914
  675    HA   LYS  88           HA       LYS  88  -0.964  -1.346   8.394
  676   1HB   LYS  88          1HB       LYS  88  -1.585   1.166   9.127
  677   2HB   LYS  88          1HB       LYS  88  -3.144   0.425   9.386
  678   1HG   LYS  88          1HG       LYS  88  -0.737  -0.782  10.611
  679   2HG   LYS  88          1HG       LYS  88  -1.458   0.638  11.332
  680   1HD   LYS  88          1HD       LYS  88  -3.634  -0.562  11.409
  681   2HD   LYS  88          1HD       LYS  88  -2.818  -2.007  10.831
  682   1HE   LYS  88          1HE       LYS  88  -1.359  -1.002  13.044
  683   2HE   LYS  88          1HE       LYS  88  -3.059  -1.056  13.488
  684   1HZ   LYS  88          1HZ       LYS  88  -2.539  -3.434  12.174
  685   2HZ   LYS  88          2HZ       LYS  88  -2.805  -3.216  13.828
  686   3HZ   LYS  88          3HZ       LYS  88  -1.232  -3.202  13.222
  687    H    LEU  89           H        LEU  89  -2.355  -2.919   9.374
  688    HA   LEU  89           HA       LEU  89  -4.444  -3.904   7.748
  689   1HB   LEU  89          1HB       LEU  89  -2.959  -4.780  10.149
  690   2HB   LEU  89          1HB       LEU  89  -4.539  -5.495   9.897
  691    HG   LEU  89           HG       LEU  89  -2.191  -5.608   8.037
  692   1HD1  LEU  89          1HD1      LEU  89  -2.330  -7.097  10.112
  693   2HD1  LEU  89          2HD1      LEU  89  -2.055  -7.880   8.555
  694   3HD1  LEU  89          3HD1      LEU  89  -3.664  -7.899   9.281
  695   1HD2  LEU  89          1HD2      LEU  89  -3.519  -6.443   6.369
  696   2HD2  LEU  89          2HD2      LEU  89  -4.721  -5.449   7.163
  697   3HD2  LEU  89          3HD2      LEU  89  -4.634  -7.159   7.508
  698    H    GLN  90           H        GLN  90  -6.643  -4.370   8.286
  699    HA   GLN  90           HA       GLN  90  -7.696  -3.078  10.673
  700   1HB   GLN  90          1HB       GLN  90  -8.066  -1.760   8.463
  701   2HB   GLN  90          1HB       GLN  90  -9.200  -3.046   8.071
  702   1HG   GLN  90          1HG       GLN  90 -10.632  -1.575   9.039
  703   2HG   GLN  90          1HG       GLN  90 -10.131  -2.468  10.474
  704   1HE2  GLN  90          1HE2      GLN  90  -9.781   0.510   8.695
  705   2HE2  GLN  90          2HE2      GLN  90  -9.086   1.431   9.970
  706    H    ASP  91           H        ASP  91  -8.384  -4.723  11.878
  707    HA   ASP  91           HA       ASP  91  -9.100  -6.816  12.443
  708   1HB   ASP  91          1HB       ASP  91 -11.162  -5.665  10.603
  709   2HB   ASP  91          1HB       ASP  91 -11.385  -7.284  11.259
  710    H    GLY  92           H        GLY  92  -7.197  -6.795  10.217
  711   1HA   GLY  92          2HA       GLY  92  -6.458  -9.046   9.456
  712   2HA   GLY  92          1HA       GLY  92  -8.093  -9.254   8.851
  713    H    LEU  93           H        LEU  93  -8.649  -6.994   7.454
  714    HA   LEU  93           HA       LEU  93  -7.046  -7.374   5.157
  715   1HB   LEU  93          1HB       LEU  93  -9.340  -5.500   5.698
  716   2HB   LEU  93          1HB       LEU  93  -8.635  -5.807   4.128
  717    HG   LEU  93           HG       LEU  93 -10.619  -7.082   4.238
  718   1HD1  LEU  93          1HD1      LEU  93  -8.156  -8.241   3.806
  719   2HD1  LEU  93          2HD1      LEU  93  -9.723  -8.906   3.364
  720   3HD1  LEU  93          3HD1      LEU  93  -8.973  -9.376   4.881
  721   1HD2  LEU  93          1HD2      LEU  93 -11.332  -7.310   6.377
  722   2HD2  LEU  93          2HD2      LEU  93  -9.732  -7.687   6.990
  723   3HD2  LEU  93          3HD2      LEU  93 -10.650  -8.915   6.139
  724    H    LEU  94           H        LEU  94  -6.089  -5.785   3.839
  725    HA   LEU  94           HA       LEU  94  -4.466  -3.942   5.291
  726   1HB   LEU  94          1HB       LEU  94  -3.555  -5.092   3.359
  727   2HB   LEU  94          1HB       LEU  94  -4.782  -4.388   2.321
  728    HG   LEU  94           HG       LEU  94  -3.813  -2.122   2.872
  729   1HD1  LEU  94          1HD1      LEU  94  -2.571  -2.309   4.790
  730   2HD1  LEU  94          2HD1      LEU  94  -1.305  -2.403   3.568
  731   3HD1  LEU  94          3HD1      LEU  94  -1.901  -3.872   4.331
  732   1HD2  LEU  94          1HD2      LEU  94  -3.275  -3.609   0.829
  733   2HD2  LEU  94          2HD2      LEU  94  -1.717  -3.848   1.623
  734   3HD2  LEU  94          3HD2      LEU  94  -2.235  -2.227   1.174
  735    H    HIS  95           H        HIS  95  -4.356  -1.659   4.864
  736    HA   HIS  95           HA       HIS  95  -6.799  -0.516   3.782
  737   1HB   HIS  95          1HB       HIS  95  -5.888  -0.149   6.598
  738   2HB   HIS  95          1HB       HIS  95  -6.644   1.212   5.774
  739    HD1  HIS  95          1HD       HIS  95  -8.897   1.251   6.885
  740    HD2  HIS  95          2HD       HIS  95  -7.887  -2.535   5.529
  741    HE1  HIS  95          1HE       HIS  95 -10.969  -0.152   7.161
  742    HE2  HIS  95          2HE       HIS  95 -10.344  -2.420   6.275
  743    H    ILE  96           H        ILE  96  -6.559   1.298   2.673
  744    HA   ILE  96           HA       ILE  96  -3.890   2.547   2.699
  745    HB   ILE  96           HB       ILE  96  -5.051   2.851   0.093
  746   1HG1  ILE  96          1HG1      ILE  96  -6.138   0.674   0.541
  747   2HG1  ILE  96          1HG1      ILE  96  -4.932   0.578  -0.738
  748   1HG2  ILE  96          1HG2      ILE  96  -2.732   3.220   0.580
  749   2HG2  ILE  96          2HG2      ILE  96  -2.877   1.922  -0.604
  750   3HG2  ILE  96          3HG2      ILE  96  -2.533   1.541   1.083
  751   1HD1  ILE  96          1HD1      ILE  96  -4.941  -0.645   1.949
  752   2HD1  ILE  96          2HD1      ILE  96  -3.387  -0.117   1.309
  753   3HD1  ILE  96          3HD1      ILE  96  -4.356  -1.274   0.420
  754    H    THR  97           H        THR  97  -3.800   4.726   2.493
  755    HA   THR  97           HA       THR  97  -6.297   6.160   2.062
  756    HB   THR  97           HB       THR  97  -5.859   7.633   4.001
  757    HG1  THR  97          1HG       THR  97  -3.528   6.949   4.022
  758   1HG2  THR  97          1HG2      THR  97  -7.247   6.314   5.100
  759   2HG2  THR  97          2HG2      THR  97  -5.867   5.356   5.636
  760   3HG2  THR  97          3HG2      THR  97  -6.723   4.918   4.158
  761    H    THR  98           H        THR  98  -6.111   8.178   1.178
  762    HA   THR  98           HA       THR  98  -3.964   8.706  -0.493
  763    HB   THR  98           HB       THR  98  -5.011  10.877  -0.873
  764    HG1  THR  98          1HG       THR  98  -6.440  11.713   0.483
  765   1HG2  THR  98          1HG2      THR  98  -6.292   8.396  -1.122
  766   2HG2  THR  98          2HG2      THR  98  -6.592   9.872  -2.040
  767   3HG2  THR  98          3HG2      THR  98  -7.512   9.544  -0.571
  768    H    CYS  99           H        CYS  99  -3.989   9.025   2.799
  769    HA   CYS  99           HA       CYS  99  -1.763  10.956   2.692
  770   1HB   CYS  99          1HB       CYS  99  -3.847  10.565   4.823
  771   2HB   CYS  99          1HB       CYS  99  -2.258  11.226   5.224
  772    H    SER 100           H        SER 100  -1.737   8.170   2.143
  773    HA   SER 100           HA       SER 100   0.007   7.147   4.292
  774   1HB   SER 100          1HB       SER 100  -1.381   5.338   4.252
  775   2HB   SER 100          1HB       SER 100  -2.163   5.881   2.774
  776    HG   SER 100           HG       SER 100  -0.620   3.862   2.950
  777    H    PHE 101           H        PHE 101   1.954   5.958   3.433
  778    HA   PHE 101           HA       PHE 101   2.973   7.305   1.112
  779   1HB   PHE 101          1HB       PHE 101   4.353   6.701   3.119
  780   2HB   PHE 101          1HB       PHE 101   4.273   5.022   2.600
  781    HD1  PHE 101          1HD       PHE 101   6.129   7.990   2.475
  782    HD2  PHE 101          2HD       PHE 101   5.050   4.613   0.121
  783    HE1  PHE 101          1HE       PHE 101   8.093   8.368   1.042
  784    HE2  PHE 101          2HE       PHE 101   7.014   4.983  -1.316
  785    HZ   PHE 101           HZ       PHE 101   8.538   6.861  -0.856
  786    H    VAL 102           H        VAL 102   2.178   6.651  -0.878
  787    HA   VAL 102           HA       VAL 102   2.447   3.800  -1.505
  788    HB   VAL 102           HB       VAL 102  -0.087   5.134  -2.368
  789   1HG1  VAL 102          1HG1      VAL 102  -0.174   3.143  -3.371
  790   2HG1  VAL 102          2HG1      VAL 102  -0.615   2.518  -1.783
  791   3HG1  VAL 102          3HG1      VAL 102   1.062   2.449  -2.326
  792   1HG2  VAL 102          1HG2      VAL 102  -1.272   4.588  -0.430
  793   2HG2  VAL 102          2HG2      VAL 102   0.203   5.333   0.177
  794   3HG2  VAL 102          3HG2      VAL 102   0.027   3.578   0.196
  795    H    ALA 103           H        ALA 103   3.918   3.957  -3.134
  796    HA   ALA 103           HA       ALA 103   3.021   5.079  -5.657
  797   1HB   ALA 103          1HB       ALA 103   5.668   6.147  -5.096
  798   2HB   ALA 103          2HB       ALA 103   4.424   6.772  -4.016
  799   3HB   ALA 103          3HB       ALA 103   4.240   6.939  -5.761
  800    HA   PRO 104           HA       PRO 104   5.506   2.099  -7.850
  801   1HB   PRO 104          1HB       PRO 104   7.167   4.322  -8.912
  802   2HB   PRO 104          1HB       PRO 104   6.399   2.987  -9.774
  803   1HG   PRO 104          1HG       PRO 104   5.341   5.409  -9.871
  804   2HG   PRO 104          1HG       PRO 104   4.284   3.998  -9.669
  805   1HD   PRO 104          1HD       PRO 104   5.166   6.015  -7.637
  806   2HD   PRO 104          1HD       PRO 104   3.602   5.205  -7.804
  807    H    TRP 105           H        TRP 105   7.061   0.815  -7.068
  808    HA   TRP 105           HA       TRP 105   9.143   1.543  -5.386
  809   1HB   TRP 105          1HB       TRP 105   8.413  -0.801  -6.084
  810   2HB   TRP 105          1HB       TRP 105   9.225  -0.532  -7.596
  811    HD1  TRP 105           HD       TRP 105  11.502  -1.607  -7.682
  812    HE1  TRP 105          1HE       TRP 105  13.319  -2.211  -5.976
  813    HE3  TRP 105          3HE       TRP 105   9.290   0.247  -3.478
  814    HZ2  TRP 105          2HZ       TRP 105  13.756  -1.943  -3.191
  815    HZ3  TRP 105          3HZ       TRP 105  10.469   0.036  -1.332
  816    HH2  TRP 105           HH       TRP 105  12.653  -1.034  -1.201
  817    H    ASN 106           H        ASN 106   8.977   0.982  -8.798
  818    HA   ASN 106           HA       ASN 106  11.425   1.598  -9.604
  819   1HB   ASN 106          1HB       ASN 106   8.827   1.845 -11.016
  820   2HB   ASN 106          1HB       ASN 106  10.340   2.222 -11.838
  821   1HD2  ASN 106          1HD2      ASN 106   8.322  -0.257 -10.575
  822   2HD2  ASN 106          2HD2      ASN 106   9.261  -1.594 -11.137
  823    H    SER 107           H        SER 107   9.443   3.825  -8.216
  824    HA   SER 107           HA       SER 107  10.785   6.085  -9.529
  825   1HB   SER 107          1HB       SER 107   8.234   6.029  -9.234
  826   2HB   SER 107          1HB       SER 107   8.558   6.402  -7.540
  827    HG   SER 107           HG       SER 107   9.711   7.949  -9.594
  828    H    LEU 108           H        LEU 108  10.907   4.221  -6.871
  829    HA   LEU 108           HA       LEU 108  11.856   6.043  -4.918
  830   1HB   LEU 108          1HB       LEU 108  11.431   3.178  -5.234
  831   2HB   LEU 108          1HB       LEU 108  12.678   3.603  -4.076
  832    HG   LEU 108           HG       LEU 108  10.964   5.056  -2.936
  833   1HD1  LEU 108          1HD1      LEU 108   9.383   4.119  -5.193
  834   2HD1  LEU 108          2HD1      LEU 108   9.126   5.491  -4.119
  835   3HD1  LEU 108          3HD1      LEU 108   8.593   3.881  -3.635
  836   1HD2  LEU 108          1HD2      LEU 108  11.130   3.244  -1.647
  837   2HD2  LEU 108          2HD2      LEU 108  11.141   2.148  -3.029
  838   3HD2  LEU 108          3HD2      LEU 108   9.609   2.739  -2.384
  839    H    SER 109           H        SER 109  13.808   6.225  -4.052
  840    HA   SER 109           HA       SER 109  16.071   6.292  -5.747
  841   1HB   SER 109          1HB       SER 109  16.291   6.189  -2.749
  842   2HB   SER 109          1HB       SER 109  17.242   7.126  -3.895
  843    HG   SER 109           HG       SER 109  15.369   8.408  -4.245
  844    H    LEU 110           H        LEU 110  17.745   5.058  -5.784
  845    HA   LEU 110           HA       LEU 110  17.427   2.284  -5.710
  846   1HB   LEU 110          1HB       LEU 110  20.023   2.440  -5.904
  847   2HB   LEU 110          1HB       LEU 110  18.980   2.904  -7.209
  848    HG   LEU 110           HG       LEU 110  21.032   4.413  -6.076
  849   1HD1  LEU 110          1HD1      LEU 110  20.794   4.832  -8.267
  850   2HD1  LEU 110          2HD1      LEU 110  19.759   6.145  -7.704
  851   3HD1  LEU 110          3HD1      LEU 110  19.045   4.612  -8.211
  852   1HD2  LEU 110          1HD2      LEU 110  19.989   5.558  -4.403
  853   2HD2  LEU 110          2HD2      LEU 110  18.406   5.413  -5.144
  854   3HD2  LEU 110          3HD2      LEU 110  19.557   6.574  -5.767
  855    H    ALA 111           H        ALA 111  18.624   4.560  -3.459
  856    HA   ALA 111           HA       ALA 111  19.597   2.558  -1.634
  857   1HB   ALA 111          1HB       ALA 111  20.660   4.249  -0.595
  858   2HB   ALA 111          2HB       ALA 111  19.312   5.372  -0.810
  859   3HB   ALA 111          3HB       ALA 111  20.407   5.030  -2.159
  860    H    GLN 112           H        GLN 112  16.853   4.676  -2.099
  861    HA   GLN 112           HA       GLN 112  15.686   3.958   0.431
  862   1HB   GLN 112          1HB       GLN 112  15.457   6.242  -0.438
  863   2HB   GLN 112          1HB       GLN 112  14.680   5.617  -1.887
  864   1HG   GLN 112          1HG       GLN 112  12.823   4.805  -0.557
  865   2HG   GLN 112          1HG       GLN 112  13.601   5.409   0.907
  866   1HE2  GLN 112          1HE2      GLN 112  13.993   7.744   1.008
  867   2HE2  GLN 112          2HE2      GLN 112  12.869   8.810   0.254
  868    H    ARG 113           H        ARG 113  16.155   2.591  -2.399
  869    HA   ARG 113           HA       ARG 113  13.679   1.093  -2.551
  870   1HB   ARG 113          1HB       ARG 113  16.117   1.459  -4.239
  871   2HB   ARG 113          1HB       ARG 113  15.192  -0.033  -4.410
  872   1HG   ARG 113          1HG       ARG 113  13.173   1.640  -4.613
  873   2HG   ARG 113          1HG       ARG 113  14.442   2.759  -5.106
  874   1HD   ARG 113          1HD       ARG 113  15.188   0.840  -6.643
  875   2HD   ARG 113          1HD       ARG 113  13.543   0.231  -6.395
  876    HE   ARG 113           HE       ARG 113  12.821   2.486  -7.249
  877   1HH1  ARG 113          1HH1      ARG 113  15.890   1.087  -8.178
  878   2HH1  ARG 113          2HH1      ARG 113  15.968   1.953  -9.672
  879   1HH2  ARG 113          1HH2      ARG 113  12.950   3.627  -9.216
  880   2HH2  ARG 113          2HH2      ARG 113  14.301   3.384 -10.266
  881    H    ARG 114           H        ARG 114  17.096   1.063  -1.775
  882    HA   ARG 114           HA       ARG 114  17.280  -1.650  -0.910
  883   1HB   ARG 114          1HB       ARG 114  19.234  -0.155  -1.495
  884   2HB   ARG 114          1HB       ARG 114  18.877   0.791  -0.059
  885   1HG   ARG 114          1HG       ARG 114  19.375  -2.118   0.230
  886   2HG   ARG 114          1HG       ARG 114  20.735  -1.023  -0.023
  887   1HD   ARG 114          1HD       ARG 114  18.733  -1.039   2.197
  888   2HD   ARG 114          1HD       ARG 114  20.478  -1.221   2.292
  889    HE   ARG 114           HE       ARG 114  18.983   1.262   1.990
  890   1HH1  ARG 114          1HH1      ARG 114  22.091  -0.292   2.067
  891   2HH1  ARG 114          2HH1      ARG 114  22.960   1.164   2.403
  892   1HH2  ARG 114          1HH2      ARG 114  20.125   3.191   2.387
  893   2HH2  ARG 114          2HH2      ARG 114  21.846   3.143   2.564
  894    H    GLY 115           H        GLY 115  17.205   1.450   0.733
  895   1HA   GLY 115          2HA       GLY 115  16.988   0.755   3.316
  896   2HA   GLY 115          1HA       GLY 115  16.204   2.160   2.654
  897    H    PHE 116           H        PHE 116  14.227   0.794   1.056
  898    HA   PHE 116           HA       PHE 116  12.483   0.219   3.241
  899   1HB   PHE 116          1HB       PHE 116  12.152   0.347   0.271
  900   2HB   PHE 116          1HB       PHE 116  10.967  -0.589   1.170
  901    HD1  PHE 116          1HD       PHE 116  12.401   2.769   0.735
  902    HD2  PHE 116          2HD       PHE 116   9.271   0.459   2.431
  903    HE1  PHE 116          1HE       PHE 116  11.156   4.829   1.198
  904    HE2  PHE 116          2HE       PHE 116   8.013   2.519   2.912
  905    HZ   PHE 116           HZ       PHE 116   8.955   4.705   2.291
  906    H    THR 117           H        THR 117  14.574  -1.548   1.336
  907    HA   THR 117           HA       THR 117  13.280  -4.110   1.790
  908    HB   THR 117           HB       THR 117  14.766  -3.225  -0.292
  909    HG1  THR 117          1HG       THR 117  13.535  -5.242   0.029
  910   1HG2  THR 117          1HG2      THR 117  16.845  -3.347   1.272
  911   2HG2  THR 117          2HG2      THR 117  16.929  -3.955  -0.377
  912   3HG2  THR 117          3HG2      THR 117  16.728  -5.078   0.966
  913    H    LYS 118           H        LYS 118  15.595  -2.002   3.235
  914    HA   LYS 118           HA       LYS 118  16.195  -4.078   5.220
  915   1HB   LYS 118          1HB       LYS 118  18.408  -4.090   4.833
  916   2HB   LYS 118          1HB       LYS 118  17.966  -3.415   3.279
  917   1HG   LYS 118          1HG       LYS 118  18.703  -1.316   3.818
  918   2HG   LYS 118          1HG       LYS 118  18.521  -1.554   5.545
  919   1HD   LYS 118          1HD       LYS 118  20.489  -2.774   5.717
  920   2HD   LYS 118          1HD       LYS 118  20.529  -3.140   3.992
  921   1HE   LYS 118          1HE       LYS 118  20.723  -0.489   3.840
  922   2HE   LYS 118          1HE       LYS 118  21.392  -0.696   5.450
  923   1HZ   LYS 118          1HZ       LYS 118  23.269  -1.553   4.636
  924   2HZ   LYS 118          2HZ       LYS 118  22.790  -0.948   3.144
  925   3HZ   LYS 118          3HZ       LYS 118  22.469  -2.554   3.537
  926    H    THR 119           H        THR 119  16.458  -0.689   4.460
  927    HA   THR 119           HA       THR 119  17.209   0.012   7.141
  928    HB   THR 119           HB       THR 119  16.805   2.141   5.206
  929    HG1  THR 119          1HG       THR 119  17.453   0.917   3.628
  930   1HG2  THR 119          1HG2      THR 119  19.221   1.010   6.614
  931   2HG2  THR 119          2HG2      THR 119  18.311   2.460   7.067
  932   3HG2  THR 119          3HG2      THR 119  19.230   2.421   5.557
  933    H    TYR 120           H        TYR 120  14.009   0.504   5.567
  934    HA   TYR 120           HA       TYR 120  13.760   2.760   7.373
  935   1HB   TYR 120          1HB       TYR 120  12.078   1.840   5.058
  936   2HB   TYR 120          1HB       TYR 120  11.653   3.162   6.113
  937    HD1  TYR 120          1HD       TYR 120  12.733   5.304   5.955
  938    HD2  TYR 120          2HD       TYR 120  13.947   2.079   3.505
  939    HE1  TYR 120          1HE       TYR 120  13.963   6.858   4.507
  940    HE2  TYR 120          2HE       TYR 120  15.201   3.619   2.066
  941    HH   TYR 120           HH       TYR 120  14.739   6.767   1.937
  942    H    THR 121           H        THR 121  13.578  -0.210   8.031
  943    HA   THR 121           HA       THR 121  10.900  -0.266   9.168
  944    HB   THR 121           HB       THR 121  10.781  -2.370   8.563
  945    HG1  THR 121          1HG       THR 121  13.227  -3.277   9.459
  946   1HG2  THR 121          1HG2      THR 121  11.998  -3.071   6.822
  947   2HG2  THR 121          2HG2      THR 121  13.534  -2.755   7.626
  948   3HG2  THR 121          3HG2      THR 121  12.645  -1.432   6.875
  949    H    VAL 122           H        VAL 122  14.052  -0.082   9.887
  950    HA   VAL 122           HA       VAL 122  13.676  -0.347  12.816
  951    HB   VAL 122           HB       VAL 122  16.336  -0.755  11.492
  952   1HG1  VAL 122          1HG1      VAL 122  15.447  -0.631  14.181
  953   2HG1  VAL 122          2HG1      VAL 122  17.075  -0.921  13.569
  954   3HG1  VAL 122          3HG1      VAL 122  15.989  -2.279  13.859
  955   1HG2  VAL 122          1HG2      VAL 122  16.035  -3.112  11.443
  956   2HG2  VAL 122          2HG2      VAL 122  14.660  -2.395  10.603
  957   3HG2  VAL 122          3HG2      VAL 122  14.473  -2.994  12.251
  958    H    GLY 123           H        GLY 123  14.977   1.477  10.167
  959   1HA   GLY 123          2HA       GLY 123  15.645   3.666  12.007
  960   2HA   GLY 123          1HA       GLY 123  16.742   3.208  10.705
  961    H    CYS 124           H        CYS 124  13.264   3.144  10.536
  962    HA   CYS 124           HA       CYS 124  12.950   4.202   8.083
  963   1HB   CYS 124          1HB       CYS 124  10.679   5.036   8.907
  964   2HB   CYS 124          1HB       CYS 124  11.054   3.338   9.017
  965    H    GLU 125           H        GLU 125  14.140   5.722   7.463
  966    HA   GLU 125           HA       GLU 125  13.936   8.381   8.703
  967   1HB   GLU 125          1HB       GLU 125  16.113   8.611   7.180
  968   2HB   GLU 125          1HB       GLU 125  16.176   7.961   8.815
  969   1HG   GLU 125          1HG       GLU 125  15.743   5.677   7.583
  970   2HG   GLU 125          1HG       GLU 125  16.400   6.550   6.203
  971    H    GLU 126           H        GLU 126  12.198   9.139   7.587
  972    HA   GLU 126           HA       GLU 126  11.663   8.943   4.889
  973   1HB   GLU 126          1HB       GLU 126  10.307  11.046   5.256
  974   2HB   GLU 126          1HB       GLU 126   9.931   9.701   6.312
  975   1HG   GLU 126          1HG       GLU 126   9.941  11.558   7.710
  976   2HG   GLU 126          1HG       GLU 126  11.498  10.790   7.989
  Start of MODEL   18
    1   1H    CYS   1          1HT       CYS   1  -7.323  13.205   4.620
    2   2H    CYS   1          2HT       CYS   1  -6.670  11.789   5.330
    3   3H    CYS   1          3HT       CYS   1  -8.353  12.097   5.424
    4    HA   CYS   1           HA       CYS   1  -7.151  10.530   3.634
    5   1HB   CYS   1          1HB       CYS   1  -9.759  11.956   3.832
    6   2HB   CYS   1          1HB       CYS   1  -9.399  11.104   2.335
    7    H    THR   2           H        THR   2  -7.996  13.940   3.066
    8    HA   THR   2           HA       THR   2  -7.022  13.757   0.352
    9    HB   THR   2           HB       THR   2  -7.723  16.103   0.143
   10    HG1  THR   2          1HG       THR   2  -8.132  15.857   2.926
   11   1HG2  THR   2          1HG2      THR   2  -9.643  14.136   1.274
   12   2HG2  THR   2          2HG2      THR   2  -9.570  14.851  -0.337
   13   3HG2  THR   2          3HG2      THR   2 -10.162  15.804   1.024
   14    H    CYS   3           H        CYS   3  -5.174  13.350   2.507
   15    HA   CYS   3           HA       CYS   3  -3.457  15.678   2.556
   16   1HB   CYS   3          1HB       CYS   3  -2.132  13.256   3.452
   17   2HB   CYS   3          1HB       CYS   3  -2.470  14.728   4.333
   18    H    VAL   4           H        VAL   4  -1.130  15.440   1.935
   19    HA   VAL   4           HA       VAL   4  -0.962  14.077  -0.664
   20    HB   VAL   4           HB       VAL   4   0.753  15.610  -1.273
   21   1HG1  VAL   4          1HG1      VAL   4  -0.660  17.286  -1.632
   22   2HG1  VAL   4          2HG1      VAL   4  -0.729  17.686   0.084
   23   3HG1  VAL   4          3HG1      VAL   4  -1.796  16.446  -0.576
   24   1HG2  VAL   4          1HG2      VAL   4   1.661  17.285   0.311
   25   2HG2  VAL   4          2HG2      VAL   4   2.065  15.621   0.740
   26   3HG2  VAL   4          3HG2      VAL   4   0.789  16.472   1.611
   27    HA   PRO   5           HA       PRO   5   2.037  10.962   0.204
   28   1HB   PRO   5          1HB       PRO   5   4.096  12.798  -0.976
   29   2HB   PRO   5          1HB       PRO   5   3.873  11.062  -1.221
   30   1HG   PRO   5          1HG       PRO   5   2.991  12.843  -3.019
   31   2HG   PRO   5          1HG       PRO   5   2.097  11.353  -2.669
   32   1HD   PRO   5          1HD       PRO   5   1.432  14.137  -1.990
   33   2HD   PRO   5          1HD       PRO   5   0.372  12.725  -2.095
   34    HA   PRO   6           HA       PRO   6   3.782  12.887   3.923
   35   1HB   PRO   6          1HB       PRO   6   3.012  11.007   5.647
   36   2HB   PRO   6          1HB       PRO   6   1.864  12.170   4.977
   37   1HG   PRO   6          1HG       PRO   6   2.212   9.296   4.368
   38   2HG   PRO   6          1HG       PRO   6   0.766  10.308   4.247
   39   1HD   PRO   6          1HD       PRO   6   2.546   9.542   2.146
   40   2HD   PRO   6          1HD       PRO   6   1.140  10.619   2.037
   41    H    HIS   7           H        HIS   7   5.798  12.722   4.686
   42    HA   HIS   7           HA       HIS   7   7.793  11.364   3.793
   43   1HB   HIS   7          1HB       HIS   7   7.148  12.320   6.495
   44   2HB   HIS   7          1HB       HIS   7   8.511  11.226   6.378
   45    HD1  HIS   7          1HD       HIS   7   8.172  14.567   6.718
   46    HD2  HIS   7          2HD       HIS   7   9.983  12.318   3.732
   47    HE1  HIS   7          1HE       HIS   7   9.804  16.121   5.605
   48    HE2  HIS   7          2HE       HIS   7  10.797  14.772   3.723
   49    HA   PRO   8           HA       PRO   8   7.135   6.958   4.166
   50   1HB   PRO   8          1HB       PRO   8   9.632   6.308   3.342
   51   2HB   PRO   8          1HB       PRO   8   8.372   6.797   2.218
   52   1HG   PRO   8          1HG       PRO   8  10.502   8.415   3.461
   53   2HG   PRO   8          1HG       PRO   8  10.032   8.364   1.759
   54   1HD   PRO   8          1HD       PRO   8   9.273  10.343   3.354
   55   2HD   PRO   8          1HD       PRO   8   8.134   9.657   2.169
   56    H    GLN   9           H        GLN   9   9.342   8.952   5.786
   57    HA   GLN   9           HA       GLN   9  10.694   6.942   7.311
   58   1HB   GLN   9          1HB       GLN   9  11.209   8.919   8.841
   59   2HB   GLN   9          1HB       GLN   9  11.776   9.085   7.195
   60   1HG   GLN   9          1HG       GLN   9  10.847  11.088   7.267
   61   2HG   GLN   9          1HG       GLN   9   9.337  10.215   7.017
   62   1HE2  GLN   9          1HE2      GLN   9  11.460  10.688   9.819
   63   2HE2  GLN   9          2HE2      GLN   9  10.223  11.296  10.861
   64    H    THR  10           H        THR  10   7.781   8.846   7.503
   65    HA   THR  10           HA       THR  10   7.107   7.801  10.110
   66    HB   THR  10           HB       THR  10   6.340  10.075   8.378
   67    HG1  THR  10          1HG       THR  10   7.491  10.416  10.250
   68   1HG2  THR  10          1HG2      THR  10   4.146   9.958   8.468
   69   2HG2  THR  10          2HG2      THR  10   4.243   9.991  10.231
   70   3HG2  THR  10          3HG2      THR  10   4.217   8.449   9.381
   71    H    ALA  11           H        ALA  11   6.099   7.837   6.696
   72    HA   ALA  11           HA       ALA  11   3.780   6.308   6.875
   73   1HB   ALA  11          1HB       ALA  11   3.889   6.009   4.605
   74   2HB   ALA  11          2HB       ALA  11   5.652   6.033   4.579
   75   3HB   ALA  11          3HB       ALA  11   4.750   7.524   4.866
   76    H    PHE  12           H        PHE  12   7.158   5.195   6.412
   77    HA   PHE  12           HA       PHE  12   6.475   2.474   6.180
   78   1HB   PHE  12          1HB       PHE  12   8.787   3.695   5.790
   79   2HB   PHE  12          1HB       PHE  12   9.064   3.254   7.470
   80    HD1  PHE  12          1HD       PHE  12  10.164   1.298   7.843
   81    HD2  PHE  12          2HD       PHE  12   7.766   1.625   4.359
   82    HE1  PHE  12          1HE       PHE  12  10.860  -0.961   7.169
   83    HE2  PHE  12          2HE       PHE  12   8.452  -0.639   3.674
   84    HZ   PHE  12           HZ       PHE  12  10.000  -1.935   5.079
   85    H    CYS  13           H        CYS  13   8.015   4.040   8.993
   86    HA   CYS  13           HA       CYS  13   7.576   1.949  10.715
   87   1HB   CYS  13          1HB       CYS  13   8.549   4.701  10.827
   88   2HB   CYS  13          1HB       CYS  13   7.873   4.113  12.339
   89    H    ASN  14           H        ASN  14   5.121   4.395   9.842
   90    HA   ASN  14           HA       ASN  14   3.892   4.002  12.420
   91   1HB   ASN  14          1HB       ASN  14   3.947   6.133  10.701
   92   2HB   ASN  14          1HB       ASN  14   2.440   5.362  10.230
   93   1HD2  ASN  14          1HD2      ASN  14   0.977   6.700  11.028
   94   2HD2  ASN  14          2HD2      ASN  14   0.838   7.151  12.691
   95    H    SER  15           H        SER  15   3.597   3.163   8.981
   96    HA   SER  15           HA       SER  15   1.164   1.816   9.209
   97   1HB   SER  15          1HB       SER  15   2.800   2.642   7.139
   98   2HB   SER  15          1HB       SER  15   2.785   0.894   7.026
   99    HG   SER  15           HG       SER  15   0.359   1.318   7.350
  100    H    ASP  16           H        ASP  16   0.780  -0.094   9.284
  101    HA   ASP  16           HA       ASP  16   2.568  -2.043  10.432
  102   1HB   ASP  16          1HB       ASP  16  -0.306  -1.538  10.398
  103   2HB   ASP  16          1HB       ASP  16   0.213  -3.197  10.672
  104    H    LEU  17           H        LEU  17   2.055  -1.392   7.482
  105    HA   LEU  17           HA       LEU  17   2.779  -3.927   6.614
  106   1HB   LEU  17          1HB       LEU  17  -0.079  -3.280   6.099
  107   2HB   LEU  17          1HB       LEU  17   0.830  -4.158   4.878
  108    HG   LEU  17           HG       LEU  17   1.485  -5.463   7.220
  109   1HD1  LEU  17          1HD1      LEU  17  -0.164  -4.391   8.538
  110   2HD1  LEU  17          2HD1      LEU  17  -0.773  -5.997   8.175
  111   3HD1  LEU  17          3HD1      LEU  17  -1.386  -4.596   7.296
  112   1HD2  LEU  17          1HD2      LEU  17  -0.122  -7.205   6.322
  113   2HD2  LEU  17          2HD2      LEU  17   1.137  -6.647   5.218
  114   3HD2  LEU  17          3HD2      LEU  17  -0.514  -6.041   5.057
  115    H    VAL  18           H        VAL  18   4.217  -3.625   5.166
  116    HA   VAL  18           HA       VAL  18   3.835  -1.559   3.133
  117    HB   VAL  18           HB       VAL  18   6.503  -1.979   4.467
  118   1HG1  VAL  18          1HG1      VAL  18   6.995  -1.022   2.474
  119   2HG1  VAL  18          2HG1      VAL  18   6.624   0.451   3.372
  120   3HG1  VAL  18          3HG1      VAL  18   5.411  -0.266   2.313
  121   1HG2  VAL  18          1HG2      VAL  18   5.834  -0.768   6.215
  122   2HG2  VAL  18          2HG2      VAL  18   4.240  -0.531   5.499
  123   3HG2  VAL  18          3HG2      VAL  18   5.550   0.585   5.119
  124    H    ILE  19           H        ILE  19   4.207  -2.353   1.166
  125    HA   ILE  19           HA       ILE  19   6.017  -4.613   0.819
  126    HB   ILE  19           HB       ILE  19   4.309  -5.916  -0.300
  127   1HG1  ILE  19          1HG1      ILE  19   1.998  -4.369   0.599
  128   2HG1  ILE  19          1HG1      ILE  19   2.974  -3.488  -0.572
  129   1HG2  ILE  19          1HG2      ILE  19   4.524  -5.530   2.394
  130   2HG2  ILE  19          2HG2      ILE  19   3.617  -6.808   1.620
  131   3HG2  ILE  19          3HG2      ILE  19   2.797  -5.335   2.128
  132   1HD1  ILE  19          1HD1      ILE  19   2.284  -4.760  -2.252
  133   2HD1  ILE  19          2HD1      ILE  19   1.022  -5.310  -1.152
  134   3HD1  ILE  19          3HD1      ILE  19   2.503  -6.251  -1.337
  135    H    ARG  20           H        ARG  20   5.318  -5.307  -1.746
  136    HA   ARG  20           HA       ARG  20   5.268  -2.917  -3.302
  137   1HB   ARG  20          1HB       ARG  20   7.060  -3.916  -4.835
  138   2HB   ARG  20          1HB       ARG  20   7.614  -3.159  -3.351
  139   1HG   ARG  20          1HG       ARG  20   8.769  -4.991  -2.984
  140   2HG   ARG  20          1HG       ARG  20   7.239  -5.794  -2.638
  141   1HD   ARG  20          1HD       ARG  20   8.689  -6.969  -4.306
  142   2HD   ARG  20          1HD       ARG  20   7.076  -6.585  -4.877
  143    HE   ARG  20           HE       ARG  20   7.986  -4.901  -6.264
  144   1HH1  ARG  20          1HH1      ARG  20  10.430  -6.757  -4.586
  145   2HH1  ARG  20          2HH1      ARG  20  11.700  -6.275  -5.656
  146   1HH2  ARG  20          1HH2      ARG  20   9.659  -4.270  -7.659
  147   2HH2  ARG  20          2HH2      ARG  20  11.266  -4.862  -7.397
  148    H    ALA  21           H        ALA  21   3.900  -3.198  -4.786
  149    HA   ALA  21           HA       ALA  21   3.346  -5.745  -6.065
  150   1HB   ALA  21          1HB       ALA  21   1.288  -6.315  -5.256
  151   2HB   ALA  21          2HB       ALA  21   0.942  -4.685  -4.682
  152   3HB   ALA  21          3HB       ALA  21   2.089  -5.701  -3.811
  153    H    LYS  22           H        LYS  22   1.364  -5.762  -7.285
  154    HA   LYS  22           HA       LYS  22   1.050  -3.347  -8.933
  155   1HB   LYS  22          1HB       LYS  22   1.418  -6.196  -9.475
  156   2HB   LYS  22          1HB       LYS  22   0.183  -5.451 -10.461
  157   1HG   LYS  22          1HG       LYS  22   1.793  -4.038 -11.456
  158   2HG   LYS  22          1HG       LYS  22   2.969  -4.356 -10.182
  159   1HD   LYS  22          1HD       LYS  22   2.078  -6.786 -11.519
  160   2HD   LYS  22          1HD       LYS  22   2.839  -5.644 -12.612
  161   1HE   LYS  22          1HE       LYS  22   4.558  -7.034 -11.799
  162   2HE   LYS  22          1HE       LYS  22   4.723  -5.473 -11.002
  163   1HZ   LYS  22          1HZ       LYS  22   3.050  -7.146  -9.473
  164   2HZ   LYS  22          2HZ       LYS  22   4.527  -6.447  -9.044
  165   3HZ   LYS  22          3HZ       LYS  22   4.497  -7.956  -9.803
  166    H    PHE  23           H        PHE  23  -1.086  -2.871  -9.700
  167    HA   PHE  23           HA       PHE  23  -3.232  -4.021  -8.043
  168   1HB   PHE  23          1HB       PHE  23  -2.880  -1.475  -9.540
  169   2HB   PHE  23          1HB       PHE  23  -4.513  -2.116  -9.397
  170    HD1  PHE  23          1HD       PHE  23  -5.308  -2.722  -7.024
  171    HD2  PHE  23          2HD       PHE  23  -1.987  -0.205  -7.863
  172    HE1  PHE  23          1HE       PHE  23  -5.460  -1.774  -4.759
  173    HE2  PHE  23          2HE       PHE  23  -2.130   0.742  -5.608
  174    HZ   PHE  23           HZ       PHE  23  -3.866  -0.036  -4.045
  175    H    VAL  24           H        VAL  24  -4.466  -5.478  -8.713
  176    HA   VAL  24           HA       VAL  24  -4.942  -5.739 -11.580
  177    HB   VAL  24           HB       VAL  24  -4.990  -8.273 -10.804
  178   1HG1  VAL  24          1HG1      VAL  24  -2.898  -6.563 -11.974
  179   2HG1  VAL  24          2HG1      VAL  24  -3.731  -7.954 -12.667
  180   3HG1  VAL  24          3HG1      VAL  24  -2.429  -8.198 -11.504
  181   1HG2  VAL  24          1HG2      VAL  24  -2.896  -7.041  -9.101
  182   2HG2  VAL  24          2HG2      VAL  24  -3.142  -8.775  -9.354
  183   3HG2  VAL  24          3HG2      VAL  24  -4.383  -7.814  -8.557
  184    H    GLY  25           H        GLY  25  -6.699  -4.475  -9.961
  185   1HA   GLY  25          2HA       GLY  25  -9.095  -5.912 -10.355
  186   2HA   GLY  25          1HA       GLY  25  -8.702  -5.899  -8.649
  187    H    THR  26           H        THR  26 -11.007  -4.725  -9.536
  188    HA   THR  26           HA       THR  26 -10.430  -1.844  -9.498
  189    HB   THR  26           HB       THR  26 -11.736  -3.002 -11.374
  190    HG1  THR  26          1HG       THR  26 -12.192  -1.007 -11.671
  191   1HG2  THR  26          1HG2      THR  26 -13.456  -3.689  -9.194
  192   2HG2  THR  26          2HG2      THR  26 -13.539  -4.167 -10.888
  193   3HG2  THR  26          3HG2      THR  26 -14.313  -2.675 -10.355
  194    HA   PRO  27           HA       PRO  27 -12.152  -1.129  -5.531
  195   1HB   PRO  27          1HB       PRO  27 -13.518   1.193  -5.893
  196   2HB   PRO  27          1HB       PRO  27 -11.766   1.087  -5.839
  197   1HG   PRO  27          1HG       PRO  27 -13.562   1.234  -8.211
  198   2HG   PRO  27          1HG       PRO  27 -12.038   2.088  -7.910
  199   1HD   PRO  27          1HD       PRO  27 -12.163  -0.080  -9.485
  200   2HD   PRO  27          1HD       PRO  27 -10.753   0.260  -8.470
  201    H    GLU  28           H        GLU  28 -13.645  -2.388  -4.664
  202    HA   GLU  28           HA       GLU  28 -16.372  -2.354  -5.732
  203   1HB   GLU  28          1HB       GLU  28 -14.755  -4.295  -4.305
  204   2HB   GLU  28          1HB       GLU  28 -16.324  -4.078  -3.534
  205   1HG   GLU  28          1HG       GLU  28 -17.483  -4.704  -5.477
  206   2HG   GLU  28          1HG       GLU  28 -16.042  -4.543  -6.479
  207    H    VAL  29           H        VAL  29 -17.692  -0.844  -4.977
  208    HA   VAL  29           HA       VAL  29 -17.151   0.221  -2.308
  209    HB   VAL  29           HB       VAL  29 -18.958   1.561  -4.255
  210   1HG1  VAL  29          1HG1      VAL  29 -17.562   2.227  -1.747
  211   2HG1  VAL  29          2HG1      VAL  29 -19.100   2.813  -2.382
  212   3HG1  VAL  29          3HG1      VAL  29 -17.585   3.490  -2.978
  213   1HG2  VAL  29          1HG2      VAL  29 -16.387   0.900  -4.948
  214   2HG2  VAL  29          2HG2      VAL  29 -16.196   2.504  -4.251
  215   3HG2  VAL  29          3HG2      VAL  29 -17.303   2.258  -5.597
  216    H    ASN  30           H        ASN  30 -18.392  -0.932  -0.737
  217    HA   ASN  30           HA       ASN  30 -21.162  -1.484  -1.229
  218   1HB   ASN  30          1HB       ASN  30 -19.501  -2.419   0.671
  219   2HB   ASN  30          1HB       ASN  30 -20.264  -1.120   1.581
  220   1HD2  ASN  30          1HD2      ASN  30 -22.064  -1.583   2.610
  221   2HD2  ASN  30          2HD2      ASN  30 -23.143  -2.876   2.227
  222    H    GLN  31           H        GLN  31 -22.921  -0.433  -0.282
  223    HA   GLN  31           HA       GLN  31 -22.694   2.469  -0.237
  224   1HB   GLN  31          1HB       GLN  31 -25.151   0.793   0.247
  225   2HB   GLN  31          1HB       GLN  31 -25.109   2.478  -0.277
  226   1HG   GLN  31          1HG       GLN  31 -23.913   0.320  -1.956
  227   2HG   GLN  31          1HG       GLN  31 -25.651   0.607  -1.978
  228   1HE2  GLN  31          1HE2      GLN  31 -22.598   2.416  -2.183
  229   2HE2  GLN  31          2HE2      GLN  31 -23.124   3.496  -3.424
  230    H    THR  32           H        THR  32 -22.526  -0.074   1.935
  231    HA   THR  32           HA       THR  32 -23.028   1.725   4.183
  232    HB   THR  32           HB       THR  32 -24.316  -0.889   3.487
  233    HG1  THR  32          1HG       THR  32 -26.081   0.363   4.556
  234   1HG2  THR  32          1HG2      THR  32 -24.516   0.068   6.311
  235   2HG2  THR  32          2HG2      THR  32 -23.258  -1.071   5.851
  236   3HG2  THR  32          3HG2      THR  32 -24.948  -1.493   5.622
  237    H    THR  33           H        THR  33 -20.532   1.347   3.349
  238    HA   THR  33           HA       THR  33 -19.456  -0.624   5.223
  239    HB   THR  33           HB       THR  33 -18.562  -1.377   3.266
  240    HG1  THR  33          1HG       THR  33 -16.502  -0.543   2.988
  241   1HG2  THR  33          1HG2      THR  33 -18.054   1.218   1.937
  242   2HG2  THR  33          2HG2      THR  33 -19.705   0.609   1.946
  243   3HG2  THR  33          3HG2      THR  33 -18.425  -0.347   1.217
  244    H    LEU  34           H        LEU  34 -18.761   2.271   3.320
  245    HA   LEU  34           HA       LEU  34 -18.017   4.341   4.161
  246   1HB   LEU  34          1HB       LEU  34 -17.693   2.719   6.604
  247   2HB   LEU  34          1HB       LEU  34 -16.470   3.898   6.321
  248    HG   LEU  34           HG       LEU  34 -19.420   4.502   6.423
  249   1HD1  LEU  34          1HD1      LEU  34 -17.741   5.510   8.586
  250   2HD1  LEU  34          2HD1      LEU  34 -17.824   3.749   8.537
  251   3HD1  LEU  34          3HD1      LEU  34 -19.306   4.698   8.654
  252   1HD2  LEU  34          1HD2      LEU  34 -17.535   5.955   5.201
  253   2HD2  LEU  34          2HD2      LEU  34 -17.298   6.533   6.855
  254   3HD2  LEU  34          3HD2      LEU  34 -18.876   6.695   6.084
  255    H    TYR  35           H        TYR  35 -16.792   1.384   3.488
  256    HA   TYR  35           HA       TYR  35 -14.294   2.456   2.476
  257   1HB   TYR  35          1HB       TYR  35 -13.245   0.165   3.178
  258   2HB   TYR  35          1HB       TYR  35 -13.252   1.547   4.252
  259    HD1  TYR  35          1HD       TYR  35 -15.057   1.719   5.970
  260    HD2  TYR  35          2HD       TYR  35 -14.218  -1.850   3.831
  261    HE1  TYR  35          1HE       TYR  35 -16.150   0.440   7.722
  262    HE2  TYR  35          2HE       TYR  35 -15.329  -3.169   5.587
  263    HH   TYR  35           HH       TYR  35 -15.882  -2.952   7.973
  264    H    GLN  36           H        GLN  36 -13.133   0.980   1.016
  265    HA   GLN  36           HA       GLN  36 -15.006  -0.653  -0.566
  266   1HB   GLN  36          1HB       GLN  36 -13.003   1.428  -1.413
  267   2HB   GLN  36          1HB       GLN  36 -13.759   0.311  -2.548
  268   1HG   GLN  36          1HG       GLN  36 -15.781   1.341  -2.404
  269   2HG   GLN  36          1HG       GLN  36 -15.486   1.917  -0.764
  270   1HE2  GLN  36          1HE2      GLN  36 -14.127   2.293  -4.023
  271   2HE2  GLN  36          2HE2      GLN  36 -13.939   4.007  -3.931
  272    H    ARG  37           H        ARG  37 -13.466  -1.882  -2.382
  273    HA   ARG  37           HA       ARG  37 -10.946  -2.603  -1.156
  274   1HB   ARG  37          1HB       ARG  37 -11.366  -4.933  -0.880
  275   2HB   ARG  37          1HB       ARG  37 -12.559  -4.007   0.020
  276   1HG   ARG  37          1HG       ARG  37 -14.232  -4.968  -1.067
  277   2HG   ARG  37          1HG       ARG  37 -13.510  -4.614  -2.637
  278   1HD   ARG  37          1HD       ARG  37 -12.122  -6.585  -2.489
  279   2HD   ARG  37          1HD       ARG  37 -12.701  -6.904  -0.854
  280    HE   ARG  37           HE       ARG  37 -14.955  -6.865  -2.406
  281   1HH1  ARG  37          1HH1      ARG  37 -11.967  -8.664  -2.406
  282   2HH1  ARG  37          2HH1      ARG  37 -12.674 -10.082  -3.105
  283   1HH2  ARG  37          1HH2      ARG  37 -15.889  -8.727  -3.323
  284   2HH2  ARG  37          2HH2      ARG  37 -14.902 -10.118  -3.626
  285    H    TYR  38           H        TYR  38  -9.641  -2.356  -2.681
  286    HA   TYR  38           HA       TYR  38 -10.131  -3.148  -5.450
  287   1HB   TYR  38          1HB       TYR  38  -7.584  -1.996  -4.258
  288   2HB   TYR  38          1HB       TYR  38  -7.913  -2.202  -5.964
  289    HD1  TYR  38          1HD       TYR  38 -10.208  -0.745  -3.387
  290    HD2  TYR  38          2HD       TYR  38  -7.718  -0.019  -6.767
  291    HE1  TYR  38          1HE       TYR  38 -11.017   1.571  -3.494
  292    HE2  TYR  38          2HE       TYR  38  -8.531   2.289  -6.882
  293    HH   TYR  38           HH       TYR  38 -11.231   3.372  -5.145
  294    H    GLU  39           H        GLU  39  -8.838  -4.712  -6.618
  295    HA   GLU  39           HA       GLU  39  -7.649  -6.780  -4.917
  296   1HB   GLU  39          1HB       GLU  39  -9.365  -7.319  -6.752
  297   2HB   GLU  39          1HB       GLU  39  -8.092  -6.950  -7.889
  298   1HG   GLU  39          1HG       GLU  39  -6.824  -8.780  -7.312
  299   2HG   GLU  39          1HG       GLU  39  -7.624  -8.969  -5.754
  300    H    ILE  40           H        ILE  40  -5.510  -7.526  -5.286
  301    HA   ILE  40           HA       ILE  40  -3.923  -5.753  -7.018
  302    HB   ILE  40           HB       ILE  40  -2.145  -6.032  -5.114
  303   1HG1  ILE  40          1HG1      ILE  40  -4.747  -6.639  -3.720
  304   2HG1  ILE  40          1HG1      ILE  40  -3.239  -7.543  -3.662
  305   1HG2  ILE  40          1HG2      ILE  40  -3.989  -4.070  -5.847
  306   2HG2  ILE  40          2HG2      ILE  40  -2.524  -3.842  -4.896
  307   3HG2  ILE  40          3HG2      ILE  40  -4.064  -4.135  -4.088
  308   1HD1  ILE  40          1HD1      ILE  40  -3.027  -6.528  -1.685
  309   2HD1  ILE  40          2HD1      ILE  40  -4.116  -5.214  -2.119
  310   3HD1  ILE  40          3HD1      ILE  40  -2.435  -5.178  -2.654
  311    H    LYS  41           H        LYS  41  -1.630  -6.502  -7.201
  312    HA   LYS  41           HA       LYS  41  -1.480  -9.414  -7.435
  313   1HB   LYS  41          1HB       LYS  41  -1.357  -8.163  -9.653
  314   2HB   LYS  41          1HB       LYS  41   0.125  -7.440  -9.063
  315   1HG   LYS  41          1HG       LYS  41   1.048  -9.166 -10.175
  316   2HG   LYS  41          1HG       LYS  41   0.719 -10.017  -8.666
  317   1HD   LYS  41          1HD       LYS  41  -1.652 -10.243 -10.070
  318   2HD   LYS  41          1HD       LYS  41  -0.416 -10.409 -11.318
  319   1HE   LYS  41          1HE       LYS  41  -0.571 -12.584 -10.650
  320   2HE   LYS  41          1HE       LYS  41   0.667 -12.024  -9.528
  321   1HZ   LYS  41          1HZ       LYS  41  -1.503 -11.469  -8.125
  322   2HZ   LYS  41          2HZ       LYS  41  -0.728 -12.972  -8.048
  323   3HZ   LYS  41          3HZ       LYS  41  -2.100 -12.777  -9.019
  324    H    MET  42           H        MET  42  -0.820  -9.320  -5.176
  325    HA   MET  42           HA       MET  42   1.188  -7.829  -4.117
  326   1HB   MET  42          1HB       MET  42  -0.086  -9.051  -2.631
  327   2HB   MET  42          1HB       MET  42   0.038 -10.522  -3.573
  328   1HG   MET  42          1HG       MET  42   1.209 -10.447  -1.337
  329   2HG   MET  42          1HG       MET  42   2.129 -11.043  -2.714
  330   1HE   MET  42          1HE       MET  42   3.558 -10.787  -0.546
  331   2HE   MET  42          2HE       MET  42   4.665  -9.437  -0.367
  332   3HE   MET  42          3HE       MET  42   4.771 -10.474  -1.784
  333    H    THR  43           H        THR  43   3.264  -7.563  -4.698
  334    HA   THR  43           HA       THR  43   4.520  -9.640  -6.252
  335    HB   THR  43           HB       THR  43   5.700  -6.976  -5.498
  336    HG1  THR  43          1HG       THR  43   3.919  -7.710  -7.532
  337   1HG2  THR  43          1HG2      THR  43   6.913  -7.310  -7.672
  338   2HG2  THR  43          2HG2      THR  43   6.373  -8.987  -7.616
  339   3HG2  THR  43          3HG2      THR  43   7.416  -8.354  -6.342
  340    H    LYS  44           H        LYS  44   5.611  -7.683  -3.446
  341    HA   LYS  44           HA       LYS  44   6.617 -10.035  -2.094
  342   1HB   LYS  44          1HB       LYS  44   8.399  -8.826  -3.702
  343   2HB   LYS  44          1HB       LYS  44   8.567  -7.801  -2.285
  344   1HG   LYS  44          1HG       LYS  44   8.613 -10.445  -1.346
  345   2HG   LYS  44          1HG       LYS  44   9.641 -10.405  -2.779
  346   1HD   LYS  44          1HD       LYS  44   9.905  -8.274  -0.696
  347   2HD   LYS  44          1HD       LYS  44  10.647  -9.853  -0.437
  348   1HE   LYS  44          1HE       LYS  44  11.652  -9.524  -2.785
  349   2HE   LYS  44          1HE       LYS  44  11.224  -7.827  -2.570
  350   1HZ   LYS  44          1HZ       LYS  44  13.530  -8.401  -1.898
  351   2HZ   LYS  44          2HZ       LYS  44  12.897  -9.359  -0.656
  352   3HZ   LYS  44          3HZ       LYS  44  12.618  -7.691  -0.662
  353    H    MET  45           H        MET  45   6.733  -9.700   0.181
  354    HA   MET  45           HA       MET  45   5.368  -7.309   1.130
  355   1HB   MET  45          1HB       MET  45   6.136  -9.927   2.378
  356   2HB   MET  45          1HB       MET  45   5.662  -8.581   3.386
  357   1HG   MET  45          1HG       MET  45   3.482  -8.653   2.714
  358   2HG   MET  45          1HG       MET  45   3.855  -9.424   1.183
  359   1HE   MET  45          1HE       MET  45   4.987 -12.997   2.875
  360   2HE   MET  45          2HE       MET  45   5.960 -11.565   2.559
  361   3HE   MET  45          3HE       MET  45   4.909 -12.210   1.300
  362    H    TYR  46           H        TYR  46   6.340  -5.684   2.319
  363    HA   TYR  46           HA       TYR  46   9.189  -5.989   2.933
  364   1HB   TYR  46          1HB       TYR  46   7.607  -3.754   1.742
  365   2HB   TYR  46          1HB       TYR  46   9.010  -3.368   2.717
  366    HD1  TYR  46          1HD       TYR  46   8.327  -6.003   0.163
  367    HD2  TYR  46          2HD       TYR  46  10.760  -2.726   1.348
  368    HE1  TYR  46          1HE       TYR  46   9.757  -6.353  -1.803
  369    HE2  TYR  46          2HE       TYR  46  12.197  -3.069  -0.609
  370    HH   TYR  46           HH       TYR  46  12.769  -5.064  -2.149
  371    H    LYS  47           H        LYS  47   6.411  -6.190   4.448
  372    HA   LYS  47           HA       LYS  47   7.224  -5.788   6.987
  373   1HB   LYS  47          1HB       LYS  47   7.233  -3.289   6.087
  374   2HB   LYS  47          1HB       LYS  47   5.526  -3.398   6.492
  375   1HG   LYS  47          1HG       LYS  47   6.936  -4.492   8.662
  376   2HG   LYS  47          1HG       LYS  47   7.758  -2.995   8.218
  377   1HD   LYS  47          1HD       LYS  47   4.811  -2.885   8.299
  378   2HD   LYS  47          1HD       LYS  47   5.622  -3.102   9.852
  379   1HE   LYS  47          1HE       LYS  47   6.952  -1.103   8.254
  380   2HE   LYS  47          1HE       LYS  47   5.248  -0.716   8.459
  381   1HZ   LYS  47          1HZ       LYS  47   5.478  -0.794  10.808
  382   2HZ   LYS  47          2HZ       LYS  47   6.737   0.174  10.223
  383   3HZ   LYS  47          3HZ       LYS  47   7.048  -1.417  10.706
  384    H    GLY  48           H        GLY  48   5.808  -7.093   8.061
  385   1HA   GLY  48          2HA       GLY  48   3.321  -7.023   8.757
  386   2HA   GLY  48          1HA       GLY  48   3.050  -7.239   7.032
  387    H    PHE  49           H        PHE  49   5.774  -8.874   7.513
  388    HA   PHE  49           HA       PHE  49   4.876 -11.359   7.010
  389   1HB   PHE  49          1HB       PHE  49   7.266 -10.557   8.667
  390   2HB   PHE  49          1HB       PHE  49   6.997 -12.192   8.073
  391    HD1  PHE  49          1HD       PHE  49   6.635 -12.414   5.500
  392    HD2  PHE  49          2HD       PHE  49   8.477  -9.066   7.377
  393    HE1  PHE  49          1HE       PHE  49   7.720 -11.820   3.373
  394    HE2  PHE  49          2HE       PHE  49   9.562  -8.467   5.251
  395    HZ   PHE  49           HZ       PHE  49   9.182  -9.843   3.245
  396    H    GLN  50           H        GLN  50   5.133  -9.966  10.306
  397    HA   GLN  50           HA       GLN  50   4.424 -12.434  11.552
  398   1HB   GLN  50          1HB       GLN  50   4.620 -11.346  13.568
  399   2HB   GLN  50          1HB       GLN  50   5.640 -10.356  12.543
  400   1HG   GLN  50          1HG       GLN  50   4.470  -8.559  13.037
  401   2HG   GLN  50          1HG       GLN  50   2.974  -9.325  12.501
  402   1HE2  GLN  50          1HE2      GLN  50   2.567 -11.296  14.239
  403   2HE2  GLN  50          2HE2      GLN  50   2.395 -10.694  15.849
  404    H    ALA  51           H        ALA  51   2.672  -9.918  10.083
  405    HA   ALA  51           HA       ALA  51   0.018 -10.784  10.985
  406   1HB   ALA  51          1HB       ALA  51  -0.101  -8.697   9.048
  407   2HB   ALA  51          2HB       ALA  51   1.119  -8.267  10.245
  408   3HB   ALA  51          3HB       ALA  51  -0.531  -8.627  10.755
  409    H    LEU  52           H        LEU  52   2.318 -11.623   8.617
  410    HA   LEU  52           HA       LEU  52   0.886 -11.551   6.298
  411   1HB   LEU  52          1HB       LEU  52   2.468 -12.866   5.398
  412   2HB   LEU  52          1HB       LEU  52   3.257 -12.621   6.941
  413    HG   LEU  52           HG       LEU  52   1.455 -14.988   6.508
  414   1HD1  LEU  52          1HD1      LEU  52   3.247 -16.288   5.689
  415   2HD1  LEU  52          2HD1      LEU  52   4.395 -14.969   5.917
  416   3HD1  LEU  52          3HD1      LEU  52   3.149 -14.850   4.675
  417   1HD2  LEU  52          1HD2      LEU  52   3.925 -15.159   8.091
  418   2HD2  LEU  52          2HD2      LEU  52   2.304 -15.759   8.442
  419   3HD2  LEU  52          3HD2      LEU  52   2.696 -14.067   8.728
  420    H    GLY  53           H        GLY  53   0.755 -14.344   8.498
  421   1HA   GLY  53          2HA       GLY  53  -1.509 -15.107   9.095
  422   2HA   GLY  53          1HA       GLY  53  -1.907 -14.860   7.394
  423    H    ASP  54           H        ASP  54  -0.847 -16.121   5.822
  424    HA   ASP  54           HA       ASP  54   0.238 -18.649   6.850
  425   1HB   ASP  54          1HB       ASP  54  -1.655 -18.369   4.498
  426   2HB   ASP  54          1HB       ASP  54  -0.923 -19.868   5.064
  427    H    ALA  55           H        ALA  55  -0.355 -16.853   3.963
  428    HA   ALA  55           HA       ALA  55   2.465 -16.696   3.323
  429   1HB   ALA  55          1HB       ALA  55   1.266 -17.472   0.886
  430   2HB   ALA  55          2HB       ALA  55   0.788 -18.652   2.105
  431   3HB   ALA  55          3HB       ALA  55   2.496 -18.325   1.819
  432    H    ALA  56           H        ALA  56  -0.843 -15.737   2.774
  433    HA   ALA  56           HA       ALA  56   0.046 -13.508   1.069
  434   1HB   ALA  56          1HB       ALA  56  -1.599 -14.999   0.069
  435   2HB   ALA  56          2HB       ALA  56  -2.238 -13.369   0.276
  436   3HB   ALA  56          3HB       ALA  56  -2.719 -14.652   1.386
  437    H    ASP  57           H        ASP  57   0.753 -12.257   2.794
  438    HA   ASP  57           HA       ASP  57  -0.978 -11.285   4.845
  439   1HB   ASP  57          1HB       ASP  57   1.596 -11.269   4.766
  440   2HB   ASP  57          1HB       ASP  57   1.433  -9.863   3.726
  441    H    ILE  58           H        ILE  58  -0.896 -10.767   1.525
  442    HA   ILE  58           HA       ILE  58  -2.558  -8.375   1.755
  443    HB   ILE  58           HB       ILE  58  -0.400  -8.385  -0.322
  444   1HG1  ILE  58          1HG1      ILE  58   0.297  -6.715   1.933
  445   2HG1  ILE  58          1HG1      ILE  58   0.194  -8.399   2.418
  446   1HG2  ILE  58          1HG2      ILE  58  -1.248  -6.400  -0.818
  447   2HG2  ILE  58          2HG2      ILE  58  -1.042  -5.843   0.840
  448   3HG2  ILE  58          3HG2      ILE  58  -2.518  -6.685   0.373
  449   1HD1  ILE  58          1HD1      ILE  58   1.776  -9.052   0.772
  450   2HD1  ILE  58          2HD1      ILE  58   2.427  -7.714   1.707
  451   3HD1  ILE  58          3HD1      ILE  58   1.798  -7.425   0.093
  452    H    ARG  59           H        ARG  59  -4.162  -8.387   0.269
  453    HA   ARG  59           HA       ARG  59  -3.812  -9.898  -2.159
  454   1HB   ARG  59          1HB       ARG  59  -5.812 -10.770  -0.097
  455   2HB   ARG  59          1HB       ARG  59  -5.967 -11.198  -1.797
  456   1HG   ARG  59          1HG       ARG  59  -3.515 -12.018  -1.538
  457   2HG   ARG  59          1HG       ARG  59  -3.901 -12.039   0.183
  458   1HD   ARG  59          1HD       ARG  59  -4.822 -14.035  -0.107
  459   2HD   ARG  59          1HD       ARG  59  -6.064 -13.275  -1.101
  460    HE   ARG  59           HE       ARG  59  -3.915 -13.681  -2.775
  461   1HH1  ARG  59          1HH1      ARG  59  -5.977 -15.677  -0.791
  462   2HH1  ARG  59          2HH1      ARG  59  -5.837 -17.064  -1.817
  463   1HH2  ARG  59          1HH2      ARG  59  -3.730 -15.512  -4.131
  464   2HH2  ARG  59          2HH2      ARG  59  -4.563 -16.972  -3.711
  465    H    PHE  60           H        PHE  60  -5.812  -7.827  -0.259
  466    HA   PHE  60           HA       PHE  60  -6.681  -6.343  -2.568
  467   1HB   PHE  60          1HB       PHE  60  -8.631  -7.438  -0.524
  468   2HB   PHE  60          1HB       PHE  60  -9.024  -6.372  -1.865
  469    HD1  PHE  60          1HD       PHE  60  -7.898  -9.788  -0.989
  470    HD2  PHE  60          2HD       PHE  60  -9.516  -7.236  -3.986
  471    HE1  PHE  60          1HE       PHE  60  -8.396 -11.751  -2.389
  472    HE2  PHE  60          2HE       PHE  60 -10.016  -9.192  -5.389
  473    HZ   PHE  60           HZ       PHE  60  -9.455 -11.454  -4.592
  474    H    VAL  61           H        VAL  61  -7.306  -4.321  -2.039
  475    HA   VAL  61           HA       VAL  61  -6.173  -3.432   0.502
  476    HB   VAL  61           HB       VAL  61  -5.454  -1.577  -0.576
  477   1HG1  VAL  61          1HG1      VAL  61  -5.540  -3.649  -2.692
  478   2HG1  VAL  61          2HG1      VAL  61  -4.273  -3.364  -1.498
  479   3HG1  VAL  61          3HG1      VAL  61  -4.562  -2.185  -2.776
  480   1HG2  VAL  61          1HG2      VAL  61  -7.246  -0.438  -1.417
  481   2HG2  VAL  61          2HG2      VAL  61  -7.830  -1.841  -2.310
  482   3HG2  VAL  61          3HG2      VAL  61  -6.445  -0.932  -2.910
  483    H    TYR  62           H        TYR  62  -7.525  -2.715   2.060
  484    HA   TYR  62           HA       TYR  62 -10.205  -1.864   1.283
  485   1HB   TYR  62          1HB       TYR  62  -9.247  -2.891   3.952
  486   2HB   TYR  62          1HB       TYR  62 -10.903  -2.460   3.550
  487    HD1  TYR  62          1HD       TYR  62 -12.283  -4.268   3.237
  488    HD2  TYR  62          2HD       TYR  62  -8.224  -4.583   1.982
  489    HE1  TYR  62          1HE       TYR  62 -12.701  -6.566   2.469
  490    HE2  TYR  62          2HE       TYR  62  -8.630  -6.874   1.226
  491    HH   TYR  62           HH       TYR  62 -11.721  -8.487   1.764
  492    H    THR  63           H        THR  63 -10.315   0.179   1.064
  493    HA   THR  63           HA       THR  63  -9.372   1.959   3.215
  494    HB   THR  63           HB       THR  63  -8.009   2.197   1.237
  495    HG1  THR  63          1HG       THR  63  -8.649   4.095   2.424
  496   1HG2  THR  63          1HG2      THR  63 -10.321   3.160  -0.375
  497   2HG2  THR  63          2HG2      THR  63  -9.947   1.443  -0.310
  498   3HG2  THR  63          3HG2      THR  63  -8.742   2.586  -0.901
  499    HA   PRO  64           HA       PRO  64 -13.513   3.321   3.965
  500   1HB   PRO  64          1HB       PRO  64 -12.288   6.043   4.053
  501   2HB   PRO  64          1HB       PRO  64 -13.366   5.260   5.211
  502   1HG   PRO  64          1HG       PRO  64 -10.772   5.435   5.714
  503   2HG   PRO  64          1HG       PRO  64 -11.662   3.949   6.097
  504   1HD   PRO  64          1HD       PRO  64  -9.779   4.507   3.851
  505   2HD   PRO  64          1HD       PRO  64 -10.021   3.012   4.778
  506    H    ALA  65           H        ALA  65 -15.190   3.915   2.894
  507    HA   ALA  65           HA       ALA  65 -15.027   5.228   0.348
  508   1HB   ALA  65          1HB       ALA  65 -17.052   3.961  -0.201
  509   2HB   ALA  65          2HB       ALA  65 -16.938   3.188   1.380
  510   3HB   ALA  65          3HB       ALA  65 -15.665   2.956   0.191
  511    H    MET  66           H        MET  66 -15.542   7.346   0.693
  512    HA   MET  66           HA       MET  66 -18.325   7.820   1.322
  513   1HB   MET  66          1HB       MET  66 -18.029   9.502   2.942
  514   2HB   MET  66          1HB       MET  66 -17.061   8.143   3.474
  515   1HG   MET  66          1HG       MET  66 -15.127   9.256   3.246
  516   2HG   MET  66          1HG       MET  66 -15.688  10.189   1.859
  517   1HE   MET  66          1HE       MET  66 -18.082  12.752   3.748
  518   2HE   MET  66          2HE       MET  66 -18.275  11.365   2.677
  519   3HE   MET  66          3HE       MET  66 -17.169  12.663   2.246
  520    H    GLU  67           H        GLU  67 -18.962  10.126   0.779
  521    HA   GLU  67           HA       GLU  67 -18.411  10.648  -1.876
  522   1HB   GLU  67          1HB       GLU  67 -20.286  11.537  -0.292
  523   2HB   GLU  67          1HB       GLU  67 -19.188  12.889  -0.051
  524   1HG   GLU  67          1HG       GLU  67 -20.699  13.502  -1.766
  525   2HG   GLU  67          1HG       GLU  67 -19.140  13.190  -2.527
  526    H    SER  68           H        SER  68 -16.626  11.679   0.912
  527    HA   SER  68           HA       SER  68 -14.690  12.986  -0.845
  528   1HB   SER  68          1HB       SER  68 -14.410  14.871   0.690
  529   2HB   SER  68          1HB       SER  68 -16.079  14.787   0.131
  530    HG   SER  68           HG       SER  68 -15.181  13.678   2.580
  531    H    VAL  69           H        VAL  69 -14.314  10.517  -0.068
  532    HA   VAL  69           HA       VAL  69 -12.700  10.484   2.372
  533    HB   VAL  69           HB       VAL  69 -14.408   8.643   1.613
  534   1HG1  VAL  69          1HG1      VAL  69 -13.199   8.471  -0.625
  535   2HG1  VAL  69          2HG1      VAL  69 -13.718   6.990   0.175
  536   3HG1  VAL  69          3HG1      VAL  69 -12.029   7.489   0.256
  537   1HG2  VAL  69          1HG2      VAL  69 -12.277   8.679   3.348
  538   2HG2  VAL  69          2HG2      VAL  69 -12.024   7.209   2.405
  539   3HG2  VAL  69          3HG2      VAL  69 -13.541   7.452   3.273
  540    H    CYS  70           H        CYS  70 -10.819   8.740   1.936
  541    HA   CYS  70           HA       CYS  70  -9.122   9.925  -0.125
  542   1HB   CYS  70          1HB       CYS  70  -7.427   8.264   1.129
  543   2HB   CYS  70          1HB       CYS  70  -7.765   9.866   1.765
  544    H    GLY  71           H        GLY  71  -9.667   6.739   1.280
  545   1HA   GLY  71          2HA       GLY  71 -10.130   4.740   0.267
  546   2HA   GLY  71          1HA       GLY  71 -10.576   5.637  -1.173
  547    H    TYR  72           H        TYR  72  -9.314   5.532  -2.853
  548    HA   TYR  72           HA       TYR  72  -6.495   5.472  -2.699
  549   1HB   TYR  72          1HB       TYR  72  -7.134   3.069  -2.109
  550   2HB   TYR  72          1HB       TYR  72  -7.643   2.911  -3.788
  551    HD1  TYR  72          1HD       TYR  72  -4.998   2.378  -1.595
  552    HD2  TYR  72          2HD       TYR  72  -5.798   3.812  -5.515
  553    HE1  TYR  72          1HE       TYR  72  -2.676   1.880  -2.248
  554    HE2  TYR  72          2HE       TYR  72  -3.492   3.320  -6.182
  555    HH   TYR  72           HH       TYR  72  -1.224   1.755  -3.965
  556    H    PHE  73           H        PHE  73  -7.000   7.270  -4.058
  557    HA   PHE  73           HA       PHE  73  -8.268   6.865  -6.538
  558   1HB   PHE  73          1HB       PHE  73  -6.812   9.111  -5.282
  559   2HB   PHE  73          1HB       PHE  73  -6.929   9.125  -7.040
  560    HD1  PHE  73          1HD       PHE  73  -9.070   8.621  -4.027
  561    HD2  PHE  73          2HD       PHE  73  -8.796  10.068  -8.021
  562    HE1  PHE  73          1HE       PHE  73 -11.368   9.485  -3.868
  563    HE2  PHE  73          2HE       PHE  73 -11.094  10.938  -7.866
  564    HZ   PHE  73           HZ       PHE  73 -12.382  10.646  -5.787
  565    H    HIS  74           H        HIS  74  -7.364   5.097  -7.375
  566    HA   HIS  74           HA       HIS  74  -4.569   5.181  -8.129
  567   1HB   HIS  74          1HB       HIS  74  -5.242   3.098  -7.283
  568   2HB   HIS  74          1HB       HIS  74  -6.670   3.039  -8.303
  569    HD1  HIS  74          1HD       HIS  74  -6.335   1.230  -9.979
  570    HD2  HIS  74          2HD       HIS  74  -2.834   3.352  -9.267
  571    HE1  HIS  74          1HE       HIS  74  -4.618   0.240 -11.530
  572    HE2  HIS  74          2HE       HIS  74  -2.520   1.573 -11.117
  573    H    ARG  75           H        ARG  75  -4.061   6.386  -9.787
  574    HA   ARG  75           HA       ARG  75  -5.671   6.192 -12.246
  575   1HB   ARG  75          1HB       ARG  75  -3.833   8.450 -11.430
  576   2HB   ARG  75          1HB       ARG  75  -4.891   8.410 -12.833
  577   1HG   ARG  75          1HG       ARG  75  -6.316   9.543 -11.546
  578   2HG   ARG  75          1HG       ARG  75  -6.652   7.980 -10.799
  579   1HD   ARG  75          1HD       ARG  75  -6.212   9.403  -8.995
  580   2HD   ARG  75          1HD       ARG  75  -4.712   8.512  -9.228
  581    HE   ARG  75           HE       ARG  75  -3.693  10.455 -10.030
  582   1HH1  ARG  75          1HH1      ARG  75  -7.057  11.027  -9.262
  583   2HH1  ARG  75          2HH1      ARG  75  -6.885  12.748  -9.251
  584   1HH2  ARG  75          1HH2      ARG  75  -3.479  12.718 -10.016
  585   2HH2  ARG  75          2HH2      ARG  75  -4.859  13.708  -9.681
  586    H    SER  76           H        SER  76  -3.450   4.445 -11.321
  587    HA   SER  76           HA       SER  76  -1.307   5.083 -13.185
  588   1HB   SER  76          1HB       SER  76  -1.592   3.403 -10.790
  589   2HB   SER  76          1HB       SER  76  -0.577   2.701 -12.046
  590    HG   SER  76           HG       SER  76  -0.274   5.354 -11.093
  591    H    HIS  77           H        HIS  77  -1.534   4.492 -15.206
  592    HA   HIS  77           HA       HIS  77  -3.346   2.590 -16.222
  593   1HB   HIS  77          1HB       HIS  77  -1.129   4.248 -17.252
  594   2HB   HIS  77          1HB       HIS  77  -1.465   2.794 -18.184
  595    HD1  HIS  77          1HD       HIS  77  -2.672   3.632 -20.167
  596    HD2  HIS  77          2HD       HIS  77  -4.124   5.280 -16.642
  597    HE1  HIS  77          1HE       HIS  77  -4.682   4.984 -20.838
  598    HE2  HIS  77          2HE       HIS  77  -5.459   6.082 -18.708
  599    H    ASN  78           H        ASN  78   0.129   2.517 -15.940
  600    HA   ASN  78           HA       ASN  78   0.578  -0.047 -16.887
  601   1HB   ASN  78          1HB       ASN  78   2.197   1.913 -16.269
  602   2HB   ASN  78          1HB       ASN  78   2.281   1.110 -14.709
  603   1HD2  ASN  78          1HD2      ASN  78   4.195   1.553 -17.001
  604   2HD2  ASN  78          2HD2      ASN  78   4.859  -0.014 -17.304
  605    H    ARG  79           H        ARG  79  -0.708  -1.673 -16.107
  606    HA   ARG  79           HA       ARG  79  -1.254  -2.130 -13.342
  607   1HB   ARG  79          1HB       ARG  79  -2.538  -2.679 -15.630
  608   2HB   ARG  79          1HB       ARG  79  -1.694  -4.207 -15.444
  609   1HG   ARG  79          1HG       ARG  79  -3.783  -4.547 -14.481
  610   2HG   ARG  79          1HG       ARG  79  -2.705  -4.288 -13.114
  611   1HD   ARG  79          1HD       ARG  79  -4.607  -3.004 -12.618
  612   2HD   ARG  79          1HD       ARG  79  -3.431  -1.841 -13.221
  613    HE   ARG  79           HE       ARG  79  -4.924  -1.329 -14.855
  614   1HH1  ARG  79          1HH1      ARG  79  -5.567  -4.607 -13.832
  615   2HH1  ARG  79          2HH1      ARG  79  -6.950  -4.785 -14.859
  616   1HH2  ARG  79          1HH2      ARG  79  -6.764  -1.554 -16.176
  617   2HH2  ARG  79          2HH2      ARG  79  -7.635  -3.054 -16.182
  618    H    SER  80           H        SER  80   0.963  -3.339 -15.744
  619    HA   SER  80           HA       SER  80   1.984  -5.507 -14.123
  620   1HB   SER  80          1HB       SER  80   3.276  -4.238 -16.553
  621   2HB   SER  80          1HB       SER  80   3.545  -5.866 -15.933
  622    HG   SER  80           HG       SER  80   1.406  -6.376 -16.524
  623    H    GLU  81           H        GLU  81   2.180  -2.231 -13.860
  624    HA   GLU  81           HA       GLU  81   5.007  -2.047 -13.281
  625   1HB   GLU  81          1HB       GLU  81   3.371  -0.139 -14.001
  626   2HB   GLU  81          1HB       GLU  81   3.117   0.020 -12.273
  627   1HG   GLU  81          1HG       GLU  81   4.826   1.512 -12.639
  628   2HG   GLU  81          1HG       GLU  81   5.706   0.059 -12.163
  629    H    GLU  82           H        GLU  82   6.024  -2.433 -11.403
  630    HA   GLU  82           HA       GLU  82   4.643  -3.481  -9.137
  631   1HB   GLU  82          1HB       GLU  82   7.552  -2.715  -9.479
  632   2HB   GLU  82          1HB       GLU  82   6.896  -3.642  -8.137
  633   1HG   GLU  82          1HG       GLU  82   6.812  -5.545  -9.325
  634   2HG   GLU  82          1HG       GLU  82   6.313  -4.718 -10.799
  635    H    PHE  83           H        PHE  83   4.061  -2.463  -7.319
  636    HA   PHE  83           HA       PHE  83   4.723   0.385  -7.072
  637   1HB   PHE  83          1HB       PHE  83   2.211  -1.110  -6.448
  638   2HB   PHE  83          1HB       PHE  83   2.549   0.420  -5.665
  639    HD1  PHE  83          1HD       PHE  83   0.206   0.638  -6.965
  640    HD2  PHE  83          2HD       PHE  83   4.048   0.641  -8.783
  641    HE1  PHE  83          1HE       PHE  83  -0.708   1.841  -8.890
  642    HE2  PHE  83          2HE       PHE  83   3.144   1.838 -10.712
  643    HZ   PHE  83           HZ       PHE  83   0.769   2.438 -10.769
  644    H    LEU  84           H        LEU  84   4.151   1.213  -4.903
  645    HA   LEU  84           HA       LEU  84   5.471  -0.354  -2.760
  646   1HB   LEU  84          1HB       LEU  84   6.854   1.579  -3.599
  647   2HB   LEU  84          1HB       LEU  84   5.576   2.660  -3.088
  648    HG   LEU  84           HG       LEU  84   7.560   2.478  -1.549
  649   1HD1  LEU  84          1HD1      LEU  84   6.124   3.409  -0.164
  650   2HD1  LEU  84          2HD1      LEU  84   5.625   1.802   0.365
  651   3HD1  LEU  84          3HD1      LEU  84   4.777   2.599  -0.959
  652   1HD2  LEU  84          1HD2      LEU  84   6.341  -0.125  -0.690
  653   2HD2  LEU  84          2HD2      LEU  84   7.856   0.607  -0.161
  654   3HD2  LEU  84          3HD2      LEU  84   7.709  -0.033  -1.798
  655    H    ILE  85           H        ILE  85   4.074  -0.790  -1.130
  656    HA   ILE  85           HA       ILE  85   1.840   1.103  -0.779
  657    HB   ILE  85           HB       ILE  85   1.717  -1.910  -0.563
  658   1HG1  ILE  85          1HG1      ILE  85   1.871  -1.061  -2.870
  659   2HG1  ILE  85          1HG1      ILE  85   0.288  -1.761  -2.547
  660   1HG2  ILE  85          1HG2      ILE  85  -0.431   0.184  -0.182
  661   2HG2  ILE  85          2HG2      ILE  85   0.213  -0.904   1.048
  662   3HG2  ILE  85          3HG2      ILE  85  -0.725  -1.551  -0.300
  663   1HD1  ILE  85          1HD1      ILE  85   0.242   0.344  -3.859
  664   2HD1  ILE  85          2HD1      ILE  85   0.870   1.186  -2.445
  665   3HD1  ILE  85          3HD1      ILE  85  -0.706   0.397  -2.374
  666    H    ALA  86           H        ALA  86   2.050   2.095   0.990
  667    HA   ALA  86           HA       ALA  86   3.005   0.799   3.492
  668   1HB   ALA  86          1HB       ALA  86   2.625   3.750   2.918
  669   2HB   ALA  86          2HB       ALA  86   4.166   2.905   3.054
  670   3HB   ALA  86          3HB       ALA  86   3.125   3.077   4.466
  671    H    GLY  87           H        GLY  87   1.395  -0.035   4.645
  672   1HA   GLY  87          2HA       GLY  87  -0.885   1.442   5.504
  673   2HA   GLY  87          1HA       GLY  87  -1.342   0.285   4.264
  674    H    LYS  88           H        LYS  88  -2.088   0.364   7.133
  675    HA   LYS  88           HA       LYS  88  -0.773  -1.893   8.397
  676   1HB   LYS  88          1HB       LYS  88  -3.260  -0.461   9.323
  677   2HB   LYS  88          1HB       LYS  88  -2.185  -1.438  10.290
  678   1HG   LYS  88          1HG       LYS  88  -0.420   0.345   9.708
  679   2HG   LYS  88          1HG       LYS  88  -1.798   1.336   9.244
  680   1HD   LYS  88          1HD       LYS  88  -2.273   0.085  11.793
  681   2HD   LYS  88          1HD       LYS  88  -0.741   0.964  11.818
  682   1HE   LYS  88          1HE       LYS  88  -3.105   2.296  10.606
  683   2HE   LYS  88          1HE       LYS  88  -3.044   2.153  12.363
  684   1HZ   LYS  88          1HZ       LYS  88  -1.450   3.789  10.581
  685   2HZ   LYS  88          2HZ       LYS  88  -0.583   3.039  11.824
  686   3HZ   LYS  88          3HZ       LYS  88  -1.886   4.053  12.194
  687    H    LEU  89           H        LEU  89  -2.419  -3.570   9.498
  688    HA   LEU  89           HA       LEU  89  -4.310  -4.448   7.379
  689   1HB   LEU  89          1HB       LEU  89  -2.410  -5.996   9.050
  690   2HB   LEU  89          1HB       LEU  89  -3.978  -6.718   8.796
  691    HG   LEU  89           HG       LEU  89  -1.977  -6.005   6.654
  692   1HD1  LEU  89          1HD1      LEU  89  -3.113  -8.680   7.364
  693   2HD1  LEU  89          2HD1      LEU  89  -1.627  -8.061   8.081
  694   3HD1  LEU  89          3HD1      LEU  89  -1.729  -8.315   6.340
  695   1HD2  LEU  89          1HD2      LEU  89  -3.603  -5.965   5.181
  696   2HD2  LEU  89          2HD2      LEU  89  -4.780  -6.172   6.473
  697   3HD2  LEU  89          3HD2      LEU  89  -4.090  -7.578   5.676
  698    H    GLN  90           H        GLN  90  -6.359  -4.724   7.899
  699    HA   GLN  90           HA       GLN  90  -7.183  -4.480  10.715
  700   1HB   GLN  90          1HB       GLN  90  -8.289  -3.406   8.265
  701   2HB   GLN  90          1HB       GLN  90  -9.504  -4.228   9.225
  702   1HG   GLN  90          1HG       GLN  90  -7.684  -2.084  10.290
  703   2HG   GLN  90          1HG       GLN  90  -9.305  -1.787   9.666
  704   1HE2  GLN  90          1HE2      GLN  90 -11.001  -3.278  10.683
  705   2HE2  GLN  90          2HE2      GLN  90 -10.922  -3.441  12.400
  706    H    ASP  91           H        ASP  91  -7.659  -6.288  11.723
  707    HA   ASP  91           HA       ASP  91  -8.050  -8.553  11.989
  708   1HB   ASP  91          1HB       ASP  91 -10.451  -7.214  10.877
  709   2HB   ASP  91          1HB       ASP  91 -10.490  -8.974  10.955
  710    H    GLY  92           H        GLY  92  -6.556  -7.984   9.549
  711   1HA   GLY  92          2HA       GLY  92  -5.850 -10.047   8.303
  712   2HA   GLY  92          1HA       GLY  92  -7.543 -10.196   7.869
  713    H    LEU  93           H        LEU  93  -8.393  -7.928   7.043
  714    HA   LEU  93           HA       LEU  93  -7.265  -7.645   4.505
  715   1HB   LEU  93          1HB       LEU  93  -9.303  -5.927   5.909
  716   2HB   LEU  93          1HB       LEU  93  -8.999  -5.936   4.191
  717    HG   LEU  93           HG       LEU  93 -10.943  -7.185   4.424
  718   1HD1  LEU  93          1HD1      LEU  93  -8.913  -8.307   3.238
  719   2HD1  LEU  93          2HD1      LEU  93 -10.413  -9.201   3.484
  720   3HD1  LEU  93          3HD1      LEU  93  -9.041  -9.468   4.560
  721   1HD2  LEU  93          1HD2      LEU  93 -10.138  -7.577   7.036
  722   2HD2  LEU  93          2HD2      LEU  93 -10.137  -9.201   6.349
  723   3HD2  LEU  93          3HD2      LEU  93 -11.597  -8.216   6.284
  724    H    LEU  94           H        LEU  94  -6.193  -6.093   3.507
  725    HA   LEU  94           HA       LEU  94  -4.477  -4.383   5.009
  726   1HB   LEU  94          1HB       LEU  94  -3.820  -5.425   2.871
  727   2HB   LEU  94          1HB       LEU  94  -5.029  -4.473   2.035
  728    HG   LEU  94           HG       LEU  94  -3.808  -2.420   2.579
  729   1HD1  LEU  94          1HD1      LEU  94  -2.436  -4.176   4.421
  730   2HD1  LEU  94          2HD1      LEU  94  -2.488  -2.414   4.367
  731   3HD1  LEU  94          3HD1      LEU  94  -1.302  -3.290   3.399
  732   1HD2  LEU  94          1HD2      LEU  94  -1.513  -3.696   1.492
  733   2HD2  LEU  94          2HD2      LEU  94  -2.750  -2.759   0.654
  734   3HD2  LEU  94          3HD2      LEU  94  -2.943  -4.501   0.844
  735    H    HIS  95           H        HIS  95  -4.345  -2.108   4.867
  736    HA   HIS  95           HA       HIS  95  -6.760  -0.738   3.995
  737   1HB   HIS  95          1HB       HIS  95  -5.738  -0.735   6.806
  738   2HB   HIS  95          1HB       HIS  95  -6.590   0.668   6.170
  739    HD1  HIS  95          1HD       HIS  95  -8.929   0.602   6.961
  740    HD2  HIS  95          2HD       HIS  95  -7.514  -3.183   5.997
  741    HE1  HIS  95          1HE       HIS  95 -10.877  -0.952   7.299
  742    HE2  HIS  95          2HE       HIS  95  -9.944  -3.250   6.868
  743    H    ILE  96           H        ILE  96  -6.451   1.212   3.185
  744    HA   ILE  96           HA       ILE  96  -3.950   2.616   3.583
  745    HB   ILE  96           HB       ILE  96  -3.514   2.697   1.065
  746   1HG1  ILE  96          1HG1      ILE  96  -5.708   1.536   0.546
  747   2HG1  ILE  96          1HG1      ILE  96  -4.290   0.901  -0.280
  748   1HG2  ILE  96          1HG2      ILE  96  -2.110   0.697   1.155
  749   2HG2  ILE  96          2HG2      ILE  96  -2.980   0.151   2.585
  750   3HG2  ILE  96          3HG2      ILE  96  -2.012   1.624   2.652
  751   1HD1  ILE  96          1HD1      ILE  96  -5.597  -0.293   2.147
  752   2HD1  ILE  96          2HD1      ILE  96  -4.174  -0.923   1.336
  753   3HD1  ILE  96          3HD1      ILE  96  -5.721  -0.877   0.508
  754    H    THR  97           H        THR  97  -3.802   4.520   2.003
  755    HA   THR  97           HA       THR  97  -6.321   5.570   1.083
  756    HB   THR  97           HB       THR  97  -6.247   7.556   2.480
  757    HG1  THR  97          1HG       THR  97  -4.284   7.991   3.122
  758   1HG2  THR  97          1HG2      THR  97  -5.901   5.297   4.405
  759   2HG2  THR  97          2HG2      THR  97  -7.318   5.412   3.362
  760   3HG2  THR  97          3HG2      THR  97  -6.965   6.697   4.516
  761    H    THR  98           H        THR  98  -6.018   7.578  -0.162
  762    HA   THR  98           HA       THR  98  -3.504   7.550  -1.569
  763    HB   THR  98           HB       THR  98  -5.248   7.961  -3.023
  764    HG1  THR  98          1HG       THR  98  -4.679  10.656  -2.515
  765   1HG2  THR  98          1HG2      THR  98  -6.742  10.114  -2.407
  766   2HG2  THR  98          2HG2      THR  98  -6.461   9.435  -0.803
  767   3HG2  THR  98          3HG2      THR  98  -7.201   8.447  -2.065
  768    H    CYS  99           H        CYS  99  -3.979   8.511   1.265
  769    HA   CYS  99           HA       CYS  99  -2.298  10.906   1.095
  770   1HB   CYS  99          1HB       CYS  99  -3.836  12.077   2.192
  771   2HB   CYS  99          1HB       CYS  99  -4.851  10.663   2.348
  772    H    SER 100           H        SER 100  -2.017   7.904   1.450
  773    HA   SER 100           HA       SER 100  -0.203   7.947   3.757
  774   1HB   SER 100          1HB       SER 100  -2.274   6.143   3.217
  775   2HB   SER 100          1HB       SER 100  -0.821   5.297   2.698
  776    HG   SER 100           HG       SER 100  -1.066   6.546   5.224
  777    H    PHE 101           H        PHE 101   1.880   6.774   3.343
  778    HA   PHE 101           HA       PHE 101   2.963   7.534   0.881
  779   1HB   PHE 101          1HB       PHE 101   4.379   7.103   2.850
  780   2HB   PHE 101          1HB       PHE 101   4.081   5.374   2.666
  781    HD1  PHE 101          1HD       PHE 101   6.569   5.092   2.512
  782    HD2  PHE 101          2HD       PHE 101   4.371   7.342  -0.360
  783    HE1  PHE 101          1HE       PHE 101   8.445   4.933   0.939
  784    HE2  PHE 101          2HE       PHE 101   6.256   7.195  -1.921
  785    HZ   PHE 101           HZ       PHE 101   8.299   5.987  -1.275
  786    H    VAL 102           H        VAL 102   2.124   6.784  -1.011
  787    HA   VAL 102           HA       VAL 102   2.267   3.906  -1.497
  788    HB   VAL 102           HB       VAL 102  -0.273   5.468  -1.981
  789   1HG1  VAL 102          1HG1      VAL 102  -0.913   3.821  -3.309
  790   2HG1  VAL 102          2HG1      VAL 102  -0.598   2.632  -2.044
  791   3HG1  VAL 102          3HG1      VAL 102   0.688   3.100  -3.158
  792   1HG2  VAL 102          1HG2      VAL 102   0.047   5.085   0.402
  793   2HG2  VAL 102          2HG2      VAL 102   0.312   3.366   0.106
  794   3HG2  VAL 102          3HG2      VAL 102  -1.265   4.084  -0.219
  795    H    ALA 103           H        ALA 103   3.689   3.985  -3.175
  796    HA   ALA 103           HA       ALA 103   2.735   5.003  -5.702
  797   1HB   ALA 103          1HB       ALA 103   3.808   6.936  -5.880
  798   2HB   ALA 103          2HB       ALA 103   5.326   6.228  -5.324
  799   3HB   ALA 103          3HB       ALA 103   4.143   6.810  -4.153
  800    HA   PRO 104           HA       PRO 104   5.401   2.168  -7.845
  801   1HB   PRO 104          1HB       PRO 104   7.109   4.358  -8.863
  802   2HB   PRO 104          1HB       PRO 104   6.310   3.056  -9.744
  803   1HG   PRO 104          1HG       PRO 104   5.330   5.541  -9.808
  804   2HG   PRO 104          1HG       PRO 104   4.227   4.155  -9.696
  805   1HD   PRO 104          1HD       PRO 104   5.078   6.083  -7.570
  806   2HD   PRO 104          1HD       PRO 104   3.502   5.304  -7.822
  807    H    TRP 105           H        TRP 105   6.832   0.917  -6.861
  808    HA   TRP 105           HA       TRP 105   8.901   1.653  -5.167
  809   1HB   TRP 105          1HB       TRP 105   8.107  -0.653  -5.632
  810   2HB   TRP 105          1HB       TRP 105   8.833  -0.577  -7.206
  811    HD1  TRP 105           HD       TRP 105  11.012  -1.826  -7.320
  812    HE1  TRP 105          1HE       TRP 105  12.873  -2.460  -5.669
  813    HE3  TRP 105          3HE       TRP 105   9.196   0.488  -3.148
  814    HZ2  TRP 105          2HZ       TRP 105  13.479  -2.032  -2.951
  815    HZ3  TRP 105          3HZ       TRP 105  10.486   0.327  -1.059
  816    HH2  TRP 105           HH       TRP 105  12.592  -0.899  -0.979
  817    H    ASN 106           H        ASN 106   8.796   0.960  -8.539
  818    HA   ASN 106           HA       ASN 106  11.321   1.454  -9.200
  819   1HB   ASN 106          1HB       ASN 106   8.904   1.778 -10.926
  820   2HB   ASN 106          1HB       ASN 106  10.555   1.829 -11.549
  821   1HD2  ASN 106          1HD2      ASN 106  11.153  -0.020 -12.411
  822   2HD2  ASN 106          2HD2      ASN 106  10.704  -1.597 -11.862
  823    H    SER 107           H        SER 107   9.157   3.860  -8.275
  824    HA   SER 107           HA       SER 107  10.710   5.953  -9.571
  825   1HB   SER 107          1HB       SER 107   8.151   5.988  -9.440
  826   2HB   SER 107          1HB       SER 107   8.371   6.398  -7.738
  827    HG   SER 107           HG       SER 107   9.607   7.858  -9.825
  828    H    LEU 108           H        LEU 108  10.647   4.281  -6.811
  829    HA   LEU 108           HA       LEU 108  11.469   6.235  -4.900
  830   1HB   LEU 108          1HB       LEU 108  11.301   3.298  -5.055
  831   2HB   LEU 108          1HB       LEU 108  12.232   3.991  -3.763
  832    HG   LEU 108           HG       LEU 108  10.345   4.834  -2.701
  833   1HD1  LEU 108          1HD1      LEU 108   9.093   4.903  -5.405
  834   2HD1  LEU 108          2HD1      LEU 108   9.551   6.263  -4.383
  835   3HD1  LEU 108          3HD1      LEU 108   8.202   5.223  -3.920
  836   1HD2  LEU 108          1HD2      LEU 108  10.211   2.271  -3.191
  837   2HD2  LEU 108          2HD2      LEU 108   8.826   2.756  -4.166
  838   3HD2  LEU 108          3HD2      LEU 108   8.860   3.123  -2.448
  839    H    SER 109           H        SER 109  13.499   6.200  -3.756
  840    HA   SER 109           HA       SER 109  15.766   6.438  -5.472
  841   1HB   SER 109          1HB       SER 109  16.096   6.096  -2.518
  842   2HB   SER 109          1HB       SER 109  16.923   7.186  -3.619
  843    HG   SER 109           HG       SER 109  15.184   8.530  -3.605
  844    H    LEU 110           H        LEU 110  17.568   5.311  -5.512
  845    HA   LEU 110           HA       LEU 110  17.199   2.512  -5.703
  846   1HB   LEU 110          1HB       LEU 110  19.753   2.658  -6.093
  847   2HB   LEU 110          1HB       LEU 110  18.651   3.355  -7.240
  848    HG   LEU 110           HG       LEU 110  20.712   4.662  -6.646
  849   1HD1  LEU 110          1HD1      LEU 110  18.696   6.636  -6.222
  850   2HD1  LEU 110          2HD1      LEU 110  18.197   5.462  -7.443
  851   3HD1  LEU 110          3HD1      LEU 110  19.710   6.342  -7.634
  852   1HD2  LEU 110          1HD2      LEU 110  19.258   5.823  -4.388
  853   2HD2  LEU 110          2HD2      LEU 110  20.984   5.781  -4.735
  854   3HD2  LEU 110          3HD2      LEU 110  20.181   4.338  -4.138
  855    H    ALA 111           H        ALA 111  18.340   4.706  -3.399
  856    HA   ALA 111           HA       ALA 111  19.666   2.752  -1.818
  857   1HB   ALA 111          1HB       ALA 111  19.046   5.430  -0.729
  858   2HB   ALA 111          2HB       ALA 111  20.093   5.361  -2.152
  859   3HB   ALA 111          3HB       ALA 111  20.558   4.518  -0.669
  860    H    GLN 112           H        GLN 112  16.721   4.539  -1.974
  861    HA   GLN 112           HA       GLN 112  15.713   3.504   0.520
  862   1HB   GLN 112          1HB       GLN 112  15.068   5.727   0.068
  863   2HB   GLN 112          1HB       GLN 112  14.724   5.374  -1.618
  864   1HG   GLN 112          1HG       GLN 112  13.110   3.937   0.350
  865   2HG   GLN 112          1HG       GLN 112  12.840   5.667   0.232
  866   1HE2  GLN 112          1HE2      GLN 112  12.473   2.622  -1.184
  867   2HE2  GLN 112          2HE2      GLN 112  11.569   3.103  -2.546
  868    H    ARG 113           H        ARG 113  16.146   2.380  -2.501
  869    HA   ARG 113           HA       ARG 113  13.744   0.807  -2.573
  870   1HB   ARG 113          1HB       ARG 113  15.706   1.529  -4.496
  871   2HB   ARG 113          1HB       ARG 113  15.744  -0.225  -4.321
  872   1HG   ARG 113          1HG       ARG 113  14.015  -0.290  -5.725
  873   2HG   ARG 113          1HG       ARG 113  13.050   0.383  -4.415
  874   1HD   ARG 113          1HD       ARG 113  12.629   2.108  -5.668
  875   2HD   ARG 113          1HD       ARG 113  14.333   2.563  -5.544
  876    HE   ARG 113           HE       ARG 113  13.180   0.936  -7.722
  877   1HH1  ARG 113          1HH1      ARG 113  15.556   3.220  -6.561
  878   2HH1  ARG 113          2HH1      ARG 113  16.302   3.413  -8.108
  879   1HH2  ARG 113          1HH2      ARG 113  14.159   1.199  -9.751
  880   2HH2  ARG 113          2HH2      ARG 113  15.510   2.269  -9.918
  881    H    ARG 114           H        ARG 114  17.173   0.689  -1.678
  882    HA   ARG 114           HA       ARG 114  16.903  -2.062  -0.855
  883   1HB   ARG 114          1HB       ARG 114  19.127  -2.027  -0.093
  884   2HB   ARG 114          1HB       ARG 114  19.148  -1.041  -1.547
  885   1HG   ARG 114          1HG       ARG 114  20.468   0.153  -0.112
  886   2HG   ARG 114          1HG       ARG 114  18.910   0.913   0.165
  887   1HD   ARG 114          1HD       ARG 114  18.569  -0.356   2.172
  888   2HD   ARG 114          1HD       ARG 114  19.945  -1.381   1.804
  889    HE   ARG 114           HE       ARG 114  21.271   0.141   2.850
  890   1HH1  ARG 114          1HH1      ARG 114  18.473   1.879   1.693
  891   2HH1  ARG 114          2HH1      ARG 114  18.901   3.346   2.496
  892   1HH2  ARG 114          1HH2      ARG 114  21.812   2.061   3.926
  893   2HH2  ARG 114          2HH2      ARG 114  20.792   3.452   3.762
  894    H    GLY 115           H        GLY 115  17.270   1.073   0.730
  895   1HA   GLY 115          2HA       GLY 115  17.127   0.360   3.333
  896   2HA   GLY 115          1HA       GLY 115  16.420   1.845   2.725
  897    H    PHE 116           H        PHE 116  14.337   0.575   1.150
  898    HA   PHE 116           HA       PHE 116  12.655   0.062   3.400
  899   1HB   PHE 116          1HB       PHE 116  12.177   0.260   0.455
  900   2HB   PHE 116          1HB       PHE 116  10.968  -0.560   1.431
  901    HD1  PHE 116          1HD       PHE 116  10.587   0.931   3.750
  902    HD2  PHE 116          2HD       PHE 116  11.597   2.324  -0.115
  903    HE1  PHE 116          1HE       PHE 116   9.565   3.109   4.278
  904    HE2  PHE 116          2HE       PHE 116  10.592   4.508   0.393
  905    HZ   PHE 116           HZ       PHE 116   9.570   4.883   2.589
  906    H    THR 117           H        THR 117  14.602  -1.805   1.461
  907    HA   THR 117           HA       THR 117  13.060  -4.204   1.954
  908    HB   THR 117           HB       THR 117  14.225  -3.656  -0.313
  909    HG1  THR 117          1HG       THR 117  13.385  -5.819   0.694
  910   1HG2  THR 117          1HG2      THR 117  16.534  -4.668   1.306
  911   2HG2  THR 117          2HG2      THR 117  16.456  -3.273   0.242
  912   3HG2  THR 117          3HG2      THR 117  16.434  -4.891  -0.437
  913    H    LYS 118           H        LYS 118  15.643  -2.390   3.213
  914    HA   LYS 118           HA       LYS 118  16.204  -4.581   5.068
  915   1HB   LYS 118          1HB       LYS 118  18.432  -4.671   4.572
  916   2HB   LYS 118          1HB       LYS 118  17.834  -4.102   3.026
  917   1HG   LYS 118          1HG       LYS 118  19.073  -2.311   3.133
  918   2HG   LYS 118          1HG       LYS 118  18.368  -1.851   4.664
  919   1HD   LYS 118          1HD       LYS 118  19.972  -3.301   5.826
  920   2HD   LYS 118          1HD       LYS 118  20.718  -3.676   4.268
  921   1HE   LYS 118          1HE       LYS 118  20.709  -0.991   4.155
  922   2HE   LYS 118          1HE       LYS 118  20.846  -1.215   5.896
  923   1HZ   LYS 118          1HZ       LYS 118  22.893  -2.168   5.711
  924   2HZ   LYS 118          2HZ       LYS 118  22.960  -1.127   4.379
  925   3HZ   LYS 118          3HZ       LYS 118  22.617  -2.768   4.154
  926    H    THR 119           H        THR 119  16.649  -1.168   4.408
  927    HA   THR 119           HA       THR 119  17.651  -0.670   7.049
  928    HB   THR 119           HB       THR 119  17.293   1.599   5.273
  929    HG1  THR 119          1HG       THR 119  18.174   0.797   3.527
  930   1HG2  THR 119          1HG2      THR 119  19.955   0.657   5.358
  931   2HG2  THR 119          2HG2      THR 119  19.298   0.530   6.994
  932   3HG2  THR 119          3HG2      THR 119  19.287   2.088   6.157
  933    H    TYR 120           H        TYR 120  14.448   0.044   5.701
  934    HA   TYR 120           HA       TYR 120  14.347   2.290   7.529
  935   1HB   TYR 120          1HB       TYR 120  12.379   1.435   5.434
  936   2HB   TYR 120          1HB       TYR 120  12.333   2.911   6.377
  937    HD1  TYR 120          1HD       TYR 120  12.450   2.621   3.352
  938    HD2  TYR 120          2HD       TYR 120  15.441   3.308   6.270
  939    HE1  TYR 120          1HE       TYR 120  13.790   3.783   1.682
  940    HE2  TYR 120          2HE       TYR 120  16.812   4.477   4.594
  941    HH   TYR 120           HH       TYR 120  15.986   5.797   2.150
  942    H    THR 121           H        THR 121  14.052  -0.605   8.457
  943    HA   THR 121           HA       THR 121  11.383  -0.381   9.633
  944    HB   THR 121           HB       THR 121  11.261  -2.583   9.534
  945    HG1  THR 121          1HG       THR 121  13.076  -3.853  10.545
  946   1HG2  THR 121          1HG2      THR 121  12.487  -3.653   7.993
  947   2HG2  THR 121          2HG2      THR 121  14.023  -3.125   8.682
  948   3HG2  THR 121          3HG2      THR 121  13.086  -2.026   7.665
  949    H    VAL 122           H        VAL 122  14.449   0.141  10.220
  950    HA   VAL 122           HA       VAL 122  14.156   0.518  13.120
  951    HB   VAL 122           HB       VAL 122  16.866  -0.103  12.051
  952   1HG1  VAL 122          1HG1      VAL 122  15.599  -0.607  14.739
  953   2HG1  VAL 122          2HG1      VAL 122  16.533   0.832  14.333
  954   3HG1  VAL 122          3HG1      VAL 122  17.308  -0.753  14.326
  955   1HG2  VAL 122          1HG2      VAL 122  15.832  -2.444  13.244
  956   2HG2  VAL 122          2HG2      VAL 122  16.333  -2.214  11.569
  957   3HG2  VAL 122          3HG2      VAL 122  14.659  -1.926  12.036
  958    H    GLY 123           H        GLY 123  15.318   1.723  10.113
  959   1HA   GLY 123          2HA       GLY 123  16.058   4.264  11.425
  960   2HA   GLY 123          1HA       GLY 123  16.983   3.604  10.078
  961    H    CYS 124           H        CYS 124  13.590   3.399  10.425
  962    HA   CYS 124           HA       CYS 124  12.862   4.159   7.880
  963   1HB   CYS 124          1HB       CYS 124  10.601   4.594   8.928
  964   2HB   CYS 124          1HB       CYS 124  11.337   3.029   9.254
  965    H    GLU 125           H        GLU 125  14.451   6.061   7.741
  966    HA   GLU 125           HA       GLU 125  12.952   8.507   8.327
  967   1HB   GLU 125          1HB       GLU 125  15.650   9.251   8.225
  968   2HB   GLU 125          1HB       GLU 125  14.593   9.262   9.633
  969   1HG   GLU 125          1HG       GLU 125  15.199   6.768   9.828
  970   2HG   GLU 125          1HG       GLU 125  16.534   7.175   8.741
  971    H    GLU 126           H        GLU 126  12.187   7.851   6.126
  972    HA   GLU 126           HA       GLU 126  14.064   8.729   4.091
  973   1HB   GLU 126          1HB       GLU 126  11.864   6.814   4.147
  974   2HB   GLU 126          1HB       GLU 126  11.856   7.859   2.735
  975   1HG   GLU 126          1HG       GLU 126  14.343   6.474   3.573
  976   2HG   GLU 126          1HG       GLU 126  13.109   5.656   2.608
  Start of MODEL   19
    1   1H    CYS   1          1HT       CYS   1  -8.446  13.495   6.078
    2   2H    CYS   1          2HT       CYS   1  -7.916  14.308   4.662
    3   3H    CYS   1          3HT       CYS   1  -6.778  13.816   5.848
    4    HA   CYS   1           HA       CYS   1  -6.915  11.646   5.311
    5   1HB   CYS   1          1HB       CYS   1  -9.657  12.410   4.654
    6   2HB   CYS   1          1HB       CYS   1  -8.979  11.261   3.510
    7    H    THR   2           H        THR   2  -8.402  13.480   2.614
    8    HA   THR   2           HA       THR   2  -6.626  12.383   0.701
    9    HB   THR   2           HB       THR   2  -8.789  13.184  -0.005
   10    HG1  THR   2          1HG       THR   2  -6.787  14.899  -1.045
   11   1HG2  THR   2          1HG2      THR   2  -8.173  16.039   0.180
   12   2HG2  THR   2          2HG2      THR   2  -8.518  15.246   1.716
   13   3HG2  THR   2          3HG2      THR   2  -9.697  15.181   0.407
   14    H    CYS   3           H        CYS   3  -4.660  12.802   1.999
   15    HA   CYS   3           HA       CYS   3  -3.666  15.543   1.681
   16   1HB   CYS   3          1HB       CYS   3  -2.639  15.329   3.659
   17   2HB   CYS   3          1HB       CYS   3  -3.721  13.989   3.914
   18    H    VAL   4           H        VAL   4  -1.047  15.369   1.668
   19    HA   VAL   4           HA       VAL   4  -0.503  13.953  -0.815
   20    HB   VAL   4           HB       VAL   4   1.249  15.494  -1.229
   21   1HG1  VAL   4          1HG1      VAL   4  -1.370  16.371  -0.715
   22   2HG1  VAL   4          2HG1      VAL   4  -0.169  17.095  -1.785
   23   3HG1  VAL   4          3HG1      VAL   4  -0.287  17.624  -0.108
   24   1HG2  VAL   4          1HG2      VAL   4   1.989  17.161   0.442
   25   2HG2  VAL   4          2HG2      VAL   4   2.333  15.499   0.923
   26   3HG2  VAL   4          3HG2      VAL   4   0.975  16.363   1.645
   27    HA   PRO   5           HA       PRO   5   2.394  10.863   0.369
   28   1HB   PRO   5          1HB       PRO   5   4.536  12.750  -0.563
   29   2HB   PRO   5          1HB       PRO   5   4.392  11.005  -0.816
   30   1HG   PRO   5          1HG       PRO   5   3.665  12.719  -2.724
   31   2HG   PRO   5          1HG       PRO   5   2.749  11.231  -2.424
   32   1HD   PRO   5          1HD       PRO   5   2.015  14.031  -1.853
   33   2HD   PRO   5          1HD       PRO   5   0.970  12.620  -2.075
   34    HA   PRO   6           HA       PRO   6   3.764  12.674   4.323
   35   1HB   PRO   6          1HB       PRO   6   2.799  10.714   5.873
   36   2HB   PRO   6          1HB       PRO   6   1.719  11.915   5.149
   37   1HG   PRO   6          1HG       PRO   6   2.129   9.075   4.445
   38   2HG   PRO   6          1HG       PRO   6   0.711  10.100   4.195
   39   1HD   PRO   6          1HD       PRO   6   2.738   9.402   2.304
   40   2HD   PRO   6          1HD       PRO   6   1.337  10.461   2.055
   41    H    HIS   7           H        HIS   7   5.598  12.508   5.260
   42    HA   HIS   7           HA       HIS   7   7.729  11.209   4.627
   43   1HB   HIS   7          1HB       HIS   7   7.941  10.988   7.358
   44   2HB   HIS   7          1HB       HIS   7   8.265  12.446   6.431
   45    HD1  HIS   7          1HD       HIS   7   5.133  10.816   7.854
   46    HD2  HIS   7          2HD       HIS   7   6.981  14.525   7.575
   47    HE1  HIS   7          1HE       HIS   7   3.610  12.410   9.055
   48    HE2  HIS   7          2HE       HIS   7   4.691  14.670   8.774
   49    HA   PRO   8           HA       PRO   8   7.077   6.870   4.924
   50   1HB   PRO   8          1HB       PRO   8   9.593   6.042   4.643
   51   2HB   PRO   8          1HB       PRO   8   8.741   6.853   3.316
   52   1HG   PRO   8          1HG       PRO   8  10.502   8.116   5.409
   53   2HG   PRO   8          1HG       PRO   8  10.721   8.174   3.642
   54   1HD   PRO   8          1HD       PRO   8   9.496  10.169   4.867
   55   2HD   PRO   8          1HD       PRO   8   8.809   9.512   3.365
   56    H    GLN   9           H        GLN   9   9.333   8.452   7.227
   57    HA   GLN   9           HA       GLN   9   9.853   6.280   8.793
   58   1HB   GLN   9          1HB       GLN   9  10.797   8.533   9.189
   59   2HB   GLN   9          1HB       GLN   9   9.202   9.124   9.610
   60   1HG   GLN   9          1HG       GLN   9   9.991   6.887  11.263
   61   2HG   GLN   9          1HG       GLN   9  11.141   8.210  11.345
   62   1HE2  GLN   9          1HE2      GLN   9   7.991   7.114  12.166
   63   2HE2  GLN   9          2HE2      GLN   9   7.512   8.496  13.084
   64    H    THR  10           H        THR  10   7.403   8.697   9.333
   65    HA   THR  10           HA       THR  10   5.781   7.246  10.937
   66    HB   THR  10           HB       THR  10   5.464   9.611   9.230
   67    HG1  THR  10          1HG       THR  10   4.674   9.017  11.872
   68   1HG2  THR  10          1HG2      THR  10   3.364   9.332   8.584
   69   2HG2  THR  10          2HG2      THR  10   2.931   9.462  10.293
   70   3HG2  THR  10          3HG2      THR  10   3.175   7.876   9.568
   71    H    ALA  11           H        ALA  11   5.323   7.560   7.346
   72    HA   ALA  11           HA       ALA  11   3.226   5.688   7.277
   73   1HB   ALA  11          1HB       ALA  11   4.992   5.955   4.953
   74   2HB   ALA  11          2HB       ALA  11   4.212   7.426   5.539
   75   3HB   ALA  11          3HB       ALA  11   3.235   6.036   5.064
   76    H    PHE  12           H        PHE  12   6.593   5.130   7.709
   77    HA   PHE  12           HA       PHE  12   6.192   2.395   6.753
   78   1HB   PHE  12          1HB       PHE  12   8.347   3.840   6.271
   79   2HB   PHE  12          1HB       PHE  12   8.823   3.262   7.871
   80    HD1  PHE  12          1HD       PHE  12   9.771   1.159   8.100
   81    HD2  PHE  12          2HD       PHE  12   7.563   2.033   4.574
   82    HE1  PHE  12          1HE       PHE  12  10.479  -0.979   7.133
   83    HE2  PHE  12          2HE       PHE  12   8.259  -0.114   3.603
   84    HZ   PHE  12           HZ       PHE  12   9.723  -1.625   4.880
   85    H    CYS  13           H        CYS  13   7.748   3.946   9.612
   86    HA   CYS  13           HA       CYS  13   7.700   1.677  11.157
   87   1HB   CYS  13          1HB       CYS  13   7.459   4.028  12.774
   88   2HB   CYS  13          1HB       CYS  13   8.750   2.894  12.639
   89    H    ASN  14           H        ASN  14   5.003   3.965  10.716
   90    HA   ASN  14           HA       ASN  14   3.860   2.969  13.159
   91   1HB   ASN  14          1HB       ASN  14   3.354   5.184  11.235
   92   2HB   ASN  14          1HB       ASN  14   1.925   4.463  11.970
   93   1HD2  ASN  14          1HD2      ASN  14   3.697   7.026  12.209
   94   2HD2  ASN  14          2HD2      ASN  14   3.749   7.277  13.918
   95    H    SER  15           H        SER  15   3.586   2.681   9.629
   96    HA   SER  15           HA       SER  15   1.229   1.449   9.361
   97   1HB   SER  15          1HB       SER  15   2.679   0.493   7.308
   98   2HB   SER  15          1HB       SER  15   2.035   2.097   7.386
   99    HG   SER  15           HG       SER  15   4.052   2.777   8.212
  100    H    ASP  16           H        ASP  16   0.608  -0.365   9.304
  101    HA   ASP  16           HA       ASP  16   2.160  -2.535  10.431
  102   1HB   ASP  16          1HB       ASP  16  -0.795  -2.181  10.279
  103   2HB   ASP  16          1HB       ASP  16  -0.025  -3.611  10.957
  104    H    LEU  17           H        LEU  17   1.558  -1.642   7.514
  105    HA   LEU  17           HA       LEU  17   2.221  -4.217   6.516
  106   1HB   LEU  17          1HB       LEU  17  -0.607  -3.570   6.418
  107   2HB   LEU  17          1HB       LEU  17   0.043  -3.841   4.810
  108    HG   LEU  17           HG       LEU  17   0.032  -5.742   7.140
  109   1HD1  LEU  17          1HD1      LEU  17  -1.932  -5.405   5.470
  110   2HD1  LEU  17          2HD1      LEU  17  -1.411  -7.037   5.889
  111   3HD1  LEU  17          3HD1      LEU  17  -0.905  -6.315   4.360
  112   1HD2  LEU  17          1HD2      LEU  17   2.037  -5.528   5.134
  113   2HD2  LEU  17          2HD2      LEU  17   1.088  -6.979   4.812
  114   3HD2  LEU  17          3HD2      LEU  17   1.853  -6.757   6.387
  115    H    VAL  18           H        VAL  18   3.728  -3.815   5.155
  116    HA   VAL  18           HA       VAL  18   3.299  -1.698   3.198
  117    HB   VAL  18           HB       VAL  18   5.957  -2.091   4.551
  118   1HG1  VAL  18          1HG1      VAL  18   5.783   0.499   3.606
  119   2HG1  VAL  18          2HG1      VAL  18   4.967  -0.451   2.367
  120   3HG1  VAL  18          3HG1      VAL  18   6.619  -0.846   2.828
  121   1HG2  VAL  18          1HG2      VAL  18   5.557  -0.321   6.035
  122   2HG2  VAL  18          2HG2      VAL  18   4.103  -1.314   6.129
  123   3HG2  VAL  18          3HG2      VAL  18   4.094   0.179   5.191
  124    H    ILE  19           H        ILE  19   3.562  -2.540   1.240
  125    HA   ILE  19           HA       ILE  19   5.684  -4.461   0.730
  126    HB   ILE  19           HB       ILE  19   4.285  -6.214  -0.044
  127   1HG1  ILE  19          1HG1      ILE  19   2.485  -4.620  -0.947
  128   2HG1  ILE  19          1HG1      ILE  19   1.958  -6.170  -0.312
  129   1HG2  ILE  19          1HG2      ILE  19   4.627  -5.961   2.458
  130   2HG2  ILE  19          2HG2      ILE  19   3.338  -7.036   1.920
  131   3HG2  ILE  19          3HG2      ILE  19   2.947  -5.422   2.522
  132   1HD1  ILE  19          1HD1      ILE  19   1.229  -5.148   1.718
  133   2HD1  ILE  19          2HD1      ILE  19   0.519  -4.306   0.341
  134   3HD1  ILE  19          3HD1      ILE  19   1.876  -3.587   1.211
  135    H    ARG  20           H        ARG  20   5.953  -4.975  -1.450
  136    HA   ARG  20           HA       ARG  20   5.032  -2.854  -3.221
  137   1HB   ARG  20          1HB       ARG  20   6.803  -3.604  -4.741
  138   2HB   ARG  20          1HB       ARG  20   7.423  -3.194  -3.158
  139   1HG   ARG  20          1HG       ARG  20   8.235  -5.234  -2.844
  140   2HG   ARG  20          1HG       ARG  20   6.730  -5.993  -3.359
  141   1HD   ARG  20          1HD       ARG  20   8.026  -6.712  -5.068
  142   2HD   ARG  20          1HD       ARG  20   7.619  -5.145  -5.726
  143    HE   ARG  20           HE       ARG  20  10.011  -5.193  -4.119
  144   1HH1  ARG  20          1HH1      ARG  20   8.680  -5.538  -7.324
  145   2HH1  ARG  20          2HH1      ARG  20  10.167  -5.143  -8.118
  146   1HH2  ARG  20          1HH2      ARG  20  11.963  -4.668  -5.160
  147   2HH2  ARG  20          2HH2      ARG  20  12.031  -4.649  -6.892
  148    H    ALA  21           H        ALA  21   3.737  -3.166  -4.747
  149    HA   ALA  21           HA       ALA  21   3.099  -5.829  -5.794
  150   1HB   ALA  21          1HB       ALA  21   1.681  -5.820  -3.899
  151   2HB   ALA  21          2HB       ALA  21   0.660  -5.580  -5.319
  152   3HB   ALA  21          3HB       ALA  21   1.071  -4.210  -4.287
  153    H    LYS  22           H        LYS  22   1.182  -5.792  -7.188
  154    HA   LYS  22           HA       LYS  22   1.149  -3.499  -9.034
  155   1HB   LYS  22          1HB       LYS  22   1.607  -6.366  -9.455
  156   2HB   LYS  22          1HB       LYS  22   0.460  -5.673 -10.578
  157   1HG   LYS  22          1HG       LYS  22   2.113  -4.383 -11.566
  158   2HG   LYS  22          1HG       LYS  22   3.086  -4.337 -10.095
  159   1HD   LYS  22          1HD       LYS  22   2.832  -7.048 -10.985
  160   2HD   LYS  22          1HD       LYS  22   3.387  -6.041 -12.321
  161   1HE   LYS  22          1HE       LYS  22   5.123  -5.108 -10.762
  162   2HE   LYS  22          1HE       LYS  22   4.653  -6.358  -9.610
  163   1HZ   LYS  22          1HZ       LYS  22   6.151  -6.589 -12.092
  164   2HZ   LYS  22          2HZ       LYS  22   5.053  -7.835 -11.772
  165   3HZ   LYS  22          3HZ       LYS  22   6.280  -7.485 -10.662
  166    H    PHE  23           H        PHE  23  -0.905  -2.900  -9.804
  167    HA   PHE  23           HA       PHE  23  -3.160  -4.093  -8.333
  168   1HB   PHE  23          1HB       PHE  23  -2.667  -1.442  -9.597
  169   2HB   PHE  23          1HB       PHE  23  -4.326  -2.039  -9.594
  170    HD1  PHE  23          1HD       PHE  23  -1.442  -1.308  -7.380
  171    HD2  PHE  23          2HD       PHE  23  -5.650  -1.910  -7.664
  172    HE1  PHE  23          1HE       PHE  23  -1.705  -0.566  -5.050
  173    HE2  PHE  23          2HE       PHE  23  -5.912  -1.159  -5.332
  174    HZ   PHE  23           HZ       PHE  23  -3.940  -0.484  -4.028
  175    H    VAL  24           H        VAL  24  -4.199  -5.567  -9.109
  176    HA   VAL  24           HA       VAL  24  -4.642  -5.709 -11.994
  177    HB   VAL  24           HB       VAL  24  -4.245  -8.117 -11.741
  178   1HG1  VAL  24          1HG1      VAL  24  -1.926  -8.006 -11.807
  179   2HG1  VAL  24          2HG1      VAL  24  -1.905  -6.699 -10.619
  180   3HG1  VAL  24          3HG1      VAL  24  -2.454  -6.385 -12.261
  181   1HG2  VAL  24          1HG2      VAL  24  -3.007  -7.811  -9.147
  182   2HG2  VAL  24          2HG2      VAL  24  -3.854  -9.199  -9.816
  183   3HG2  VAL  24          3HG2      VAL  24  -4.763  -7.834  -9.160
  184    H    GLY  25           H        GLY  25  -6.608  -4.599 -10.436
  185   1HA   GLY  25          2HA       GLY  25  -8.821  -6.231 -11.032
  186   2HA   GLY  25          1HA       GLY  25  -8.549  -6.265  -9.305
  187    H    THR  26           H        THR  26 -10.936  -5.239 -10.183
  188    HA   THR  26           HA       THR  26 -10.650  -2.337 -10.285
  189    HB   THR  26           HB       THR  26 -13.290  -2.700 -10.531
  190    HG1  THR  26          1HG       THR  26 -12.579  -4.926 -11.970
  191   1HG2  THR  26          1HG2      THR  26 -12.669  -3.245 -13.065
  192   2HG2  THR  26          2HG2      THR  26 -11.080  -2.741 -12.488
  193   3HG2  THR  26          3HG2      THR  26 -12.456  -1.647 -12.348
  194    HA   PRO  27           HA       PRO  27 -12.149  -1.452  -6.261
  195   1HB   PRO  27          1HB       PRO  27 -13.382   0.893  -6.641
  196   2HB   PRO  27          1HB       PRO  27 -11.641   0.703  -6.862
  197   1HG   PRO  27          1HG       PRO  27 -13.813   0.847  -8.907
  198   2HG   PRO  27          1HG       PRO  27 -12.177   1.526  -8.962
  199   1HD   PRO  27          1HD       PRO  27 -12.975  -0.831 -10.194
  200   2HD   PRO  27          1HD       PRO  27 -11.305  -0.396  -9.816
  201    H    GLU  28           H        GLU  28 -13.618  -2.595  -5.237
  202    HA   GLU  28           HA       GLU  28 -16.400  -2.579  -6.167
  203   1HB   GLU  28          1HB       GLU  28 -14.760  -4.439  -4.680
  204   2HB   GLU  28          1HB       GLU  28 -16.262  -4.106  -3.826
  205   1HG   GLU  28          1HG       GLU  28 -17.404  -4.542  -6.086
  206   2HG   GLU  28          1HG       GLU  28 -15.873  -5.283  -6.550
  207    H    VAL  29           H        VAL  29 -17.590  -0.915  -5.518
  208    HA   VAL  29           HA       VAL  29 -17.020   0.250  -2.888
  209    HB   VAL  29           HB       VAL  29 -18.730   1.545  -4.970
  210   1HG1  VAL  29          1HG1      VAL  29 -17.544   3.561  -3.733
  211   2HG1  VAL  29          2HG1      VAL  29 -17.421   2.366  -2.442
  212   3HG1  VAL  29          3HG1      VAL  29 -19.001   2.798  -3.094
  213   1HG2  VAL  29          1HG2      VAL  29 -15.971   2.487  -4.824
  214   2HG2  VAL  29          2HG2      VAL  29 -16.991   2.187  -6.228
  215   3HG2  VAL  29          3HG2      VAL  29 -16.124   0.855  -5.468
  216    H    ASN  30           H        ASN  30 -18.346  -0.862  -1.344
  217    HA   ASN  30           HA       ASN  30 -21.101  -1.359  -1.942
  218   1HB   ASN  30          1HB       ASN  30 -19.555  -2.365  -0.017
  219   2HB   ASN  30          1HB       ASN  30 -20.292  -1.054   0.893
  220   1HD2  ASN  30          1HD2      ASN  30 -21.980  -1.639   2.017
  221   2HD2  ASN  30          2HD2      ASN  30 -23.153  -2.821   1.554
  222    H    GLN  31           H        GLN  31 -22.892  -0.367  -0.972
  223    HA   GLN  31           HA       GLN  31 -22.697   2.529  -0.931
  224   1HB   GLN  31          1HB       GLN  31 -25.144   0.814  -0.484
  225   2HB   GLN  31          1HB       GLN  31 -25.124   2.526  -0.902
  226   1HG   GLN  31          1HG       GLN  31 -23.947   0.463  -2.719
  227   2HG   GLN  31          1HG       GLN  31 -25.675   0.808  -2.722
  228   1HE2  GLN  31          1HE2      GLN  31 -22.491   2.205  -3.211
  229   2HE2  GLN  31          2HE2      GLN  31 -23.005   3.504  -4.227
  230    H    THR  32           H        THR  32 -22.339   0.104   1.285
  231    HA   THR  32           HA       THR  32 -22.940   1.954   3.465
  232    HB   THR  32           HB       THR  32 -24.288  -0.602   2.765
  233    HG1  THR  32          1HG       THR  32 -25.391   1.421   4.350
  234   1HG2  THR  32          1HG2      THR  32 -24.079   0.209   5.664
  235   2HG2  THR  32          2HG2      THR  32 -23.311  -1.217   4.942
  236   3HG2  THR  32          3HG2      THR  32 -25.072  -1.085   4.979
  237    H    THR  33           H        THR  33 -20.469   1.142   2.393
  238    HA   THR  33           HA       THR  33 -19.420  -0.635   4.478
  239    HB   THR  33           HB       THR  33 -18.429  -1.435   2.584
  240    HG1  THR  33          1HG       THR  33 -16.400  -0.763   2.461
  241   1HG2  THR  33          1HG2      THR  33 -18.182  -0.465   0.523
  242   2HG2  THR  33          2HG2      THR  33 -17.956   1.135   1.224
  243   3HG2  THR  33          3HG2      THR  33 -19.566   0.436   1.137
  244    H    LEU  34           H        LEU  34 -18.736   2.306   2.608
  245    HA   LEU  34           HA       LEU  34 -17.966   4.339   3.511
  246   1HB   LEU  34          1HB       LEU  34 -17.678   2.667   5.924
  247   2HB   LEU  34          1HB       LEU  34 -16.454   3.857   5.686
  248    HG   LEU  34           HG       LEU  34 -19.405   4.332   5.894
  249   1HD1  LEU  34          1HD1      LEU  34 -17.365   4.038   7.821
  250   2HD1  LEU  34          2HD1      LEU  34 -19.050   4.496   8.075
  251   3HD1  LEU  34          3HD1      LEU  34 -17.830   5.740   7.795
  252   1HD2  LEU  34          1HD2      LEU  34 -17.675   6.655   6.042
  253   2HD2  LEU  34          2HD2      LEU  34 -19.132   6.394   5.085
  254   3HD2  LEU  34          3HD2      LEU  34 -17.565   5.842   4.476
  255    H    TYR  35           H        TYR  35 -16.703   1.384   2.869
  256    HA   TYR  35           HA       TYR  35 -14.210   2.472   1.892
  257   1HB   TYR  35          1HB       TYR  35 -13.188   0.168   2.635
  258   2HB   TYR  35          1HB       TYR  35 -13.205   1.562   3.693
  259    HD1  TYR  35          1HD       TYR  35 -14.320  -1.822   3.229
  260    HD2  TYR  35          2HD       TYR  35 -14.882   1.751   5.441
  261    HE1  TYR  35          1HE       TYR  35 -15.484  -3.098   4.989
  262    HE2  TYR  35          2HE       TYR  35 -16.035   0.524   7.181
  263    HH   TYR  35           HH       TYR  35 -15.977  -2.037   7.989
  264    H    GLN  36           H        GLN  36 -13.100   1.033   0.414
  265    HA   GLN  36           HA       GLN  36 -15.052  -0.503  -1.166
  266   1HB   GLN  36          1HB       GLN  36 -12.833   1.317  -2.058
  267   2HB   GLN  36          1HB       GLN  36 -13.759   0.292  -3.149
  268   1HG   GLN  36          1HG       GLN  36 -15.702   1.551  -2.830
  269   2HG   GLN  36          1HG       GLN  36 -15.059   2.309  -1.374
  270   1HE2  GLN  36          1HE2      GLN  36 -15.175   4.414  -1.956
  271   2HE2  GLN  36          2HE2      GLN  36 -14.302   5.109  -3.275
  272    H    ARG  37           H        ARG  37 -13.512  -1.640  -3.040
  273    HA   ARG  37           HA       ARG  37 -11.237  -2.884  -1.712
  274   1HB   ARG  37          1HB       ARG  37 -13.727  -4.323  -2.541
  275   2HB   ARG  37          1HB       ARG  37 -12.177  -5.157  -2.531
  276   1HG   ARG  37          1HG       ARG  37 -11.990  -4.240  -0.109
  277   2HG   ARG  37          1HG       ARG  37 -13.737  -4.033  -0.247
  278   1HD   ARG  37          1HD       ARG  37 -12.475  -6.641  -0.974
  279   2HD   ARG  37          1HD       ARG  37 -12.765  -6.243   0.713
  280    HE   ARG  37           HE       ARG  37 -15.076  -6.289   0.320
  281   1HH1  ARG  37          1HH1      ARG  37 -13.247  -7.054  -2.553
  282   2HH1  ARG  37          2HH1      ARG  37 -14.600  -7.755  -3.371
  283   1HH2  ARG  37          1HH2      ARG  37 -16.846  -7.201  -0.757
  284   2HH2  ARG  37          2HH2      ARG  37 -16.642  -7.838  -2.355
  285    H    TYR  38           H        TYR  38  -9.648  -2.901  -2.957
  286    HA   TYR  38           HA       TYR  38  -9.973  -3.013  -5.906
  287   1HB   TYR  38          1HB       TYR  38  -8.026  -1.606  -4.141
  288   2HB   TYR  38          1HB       TYR  38  -7.361  -2.327  -5.597
  289    HD1  TYR  38          1HD       TYR  38  -9.322  -1.774  -7.646
  290    HD2  TYR  38          2HD       TYR  38  -8.081   0.684  -4.392
  291    HE1  TYR  38          1HE       TYR  38  -9.896   0.241  -8.933
  292    HE2  TYR  38          2HE       TYR  38  -8.666   2.692  -5.669
  293    HH   TYR  38           HH       TYR  38  -8.858   3.121  -8.427
  294    H    GLU  39           H        GLU  39  -8.788  -4.649  -7.044
  295    HA   GLU  39           HA       GLU  39  -7.609  -6.679  -5.308
  296   1HB   GLU  39          1HB       GLU  39  -9.365  -7.193  -7.135
  297   2HB   GLU  39          1HB       GLU  39  -8.042  -6.963  -8.260
  298   1HG   GLU  39          1HG       GLU  39  -6.780  -8.729  -7.187
  299   2HG   GLU  39          1HG       GLU  39  -8.103  -9.003  -6.056
  300    H    ILE  40           H        ILE  40  -5.537  -7.480  -5.647
  301    HA   ILE  40           HA       ILE  40  -3.888  -5.813  -7.401
  302    HB   ILE  40           HB       ILE  40  -2.145  -6.104  -5.467
  303   1HG1  ILE  40          1HG1      ILE  40  -4.684  -6.062  -3.855
  304   2HG1  ILE  40          1HG1      ILE  40  -3.752  -7.528  -4.145
  305   1HG2  ILE  40          1HG2      ILE  40  -2.449  -3.906  -5.800
  306   2HG2  ILE  40          2HG2      ILE  40  -3.516  -3.995  -4.398
  307   3HG2  ILE  40          3HG2      ILE  40  -4.188  -4.088  -6.026
  308   1HD1  ILE  40          1HD1      ILE  40  -3.374  -5.538  -2.159
  309   2HD1  ILE  40          2HD1      ILE  40  -1.959  -5.554  -3.212
  310   3HD1  ILE  40          3HD1      ILE  40  -2.478  -7.036  -2.409
  311    H    LYS  41           H        LYS  41  -1.629  -6.601  -7.488
  312    HA   LYS  41           HA       LYS  41  -1.493  -9.510  -7.611
  313   1HB   LYS  41          1HB       LYS  41  -1.393  -8.261  -9.846
  314   2HB   LYS  41          1HB       LYS  41   0.184  -7.708  -9.318
  315   1HG   LYS  41          1HG       LYS  41   0.731  -9.555 -10.558
  316   2HG   LYS  41          1HG       LYS  41   0.617 -10.256  -8.941
  317   1HD   LYS  41          1HD       LYS  41  -1.975 -10.276 -10.151
  318   2HD   LYS  41          1HD       LYS  41  -0.813 -10.985 -11.274
  319   1HE   LYS  41          1HE       LYS  41  -1.416 -12.831 -10.048
  320   2HE   LYS  41          1HE       LYS  41  -0.006 -12.277  -9.148
  321   1HZ   LYS  41          1HZ       LYS  41  -2.183 -12.857  -7.899
  322   2HZ   LYS  41          2HZ       LYS  41  -2.678 -11.313  -8.384
  323   3HZ   LYS  41          3HZ       LYS  41  -1.291 -11.497  -7.432
  324    H    MET  42           H        MET  42  -0.817  -9.337  -5.393
  325    HA   MET  42           HA       MET  42   1.147  -7.686  -4.397
  326   1HB   MET  42          1HB       MET  42  -0.405  -9.369  -3.185
  327   2HB   MET  42          1HB       MET  42   0.910 -10.510  -3.422
  328   1HG   MET  42          1HG       MET  42   1.481  -7.850  -2.198
  329   2HG   MET  42          1HG       MET  42   0.744  -9.117  -1.223
  330   1HE   MET  42          1HE       MET  42   1.810 -11.602  -1.123
  331   2HE   MET  42          2HE       MET  42   3.473 -11.974  -1.579
  332   3HE   MET  42          3HE       MET  42   2.259 -11.686  -2.827
  333    H    THR  43           H        THR  43   3.255  -7.483  -4.643
  334    HA   THR  43           HA       THR  43   4.620  -9.487  -6.222
  335    HB   THR  43           HB       THR  43   5.839  -6.908  -5.261
  336    HG1  THR  43          1HG       THR  43   4.172  -7.390  -7.494
  337   1HG2  THR  43          1HG2      THR  43   7.472  -7.219  -6.773
  338   2HG2  THR  43          2HG2      THR  43   6.405  -8.030  -7.919
  339   3HG2  THR  43          3HG2      THR  43   7.052  -8.918  -6.538
  340    H    LYS  44           H        LYS  44   5.537  -7.618  -3.298
  341    HA   LYS  44           HA       LYS  44   6.225  -9.952  -1.852
  342   1HB   LYS  44          1HB       LYS  44   8.642  -8.817  -1.437
  343   2HB   LYS  44          1HB       LYS  44   8.366 -10.126  -2.575
  344   1HG   LYS  44          1HG       LYS  44   7.890  -8.104  -4.205
  345   2HG   LYS  44          1HG       LYS  44   8.952  -7.271  -3.065
  346   1HD   LYS  44          1HD       LYS  44  10.772  -8.528  -3.643
  347   2HD   LYS  44          1HD       LYS  44   9.798  -9.951  -4.020
  348   1HE   LYS  44          1HE       LYS  44   9.462  -9.325  -6.171
  349   2HE   LYS  44          1HE       LYS  44   9.433  -7.607  -5.782
  350   1HZ   LYS  44          1HZ       LYS  44  11.675  -7.425  -5.984
  351   2HZ   LYS  44          2HZ       LYS  44  11.425  -8.690  -7.079
  352   3HZ   LYS  44          3HZ       LYS  44  11.975  -9.023  -5.516
  353    H    MET  45           H        MET  45   6.962  -9.340   0.355
  354    HA   MET  45           HA       MET  45   5.574  -6.917   1.193
  355   1HB   MET  45          1HB       MET  45   5.507  -7.939   3.408
  356   2HB   MET  45          1HB       MET  45   4.858  -9.030   2.185
  357   1HG   MET  45          1HG       MET  45   7.704  -9.159   3.101
  358   2HG   MET  45          1HG       MET  45   6.410  -9.994   3.935
  359   1HE   MET  45          1HE       MET  45   8.869 -12.233   1.430
  360   2HE   MET  45          2HE       MET  45   8.960 -11.321   2.937
  361   3HE   MET  45          3HE       MET  45   9.160 -10.494   1.393
  362    H    TYR  46           H        TYR  46   6.470  -5.311   2.491
  363    HA   TYR  46           HA       TYR  46   9.379  -5.462   2.943
  364   1HB   TYR  46          1HB       TYR  46   7.631  -3.227   1.978
  365   2HB   TYR  46          1HB       TYR  46   9.124  -2.861   2.834
  366    HD1  TYR  46          1HD       TYR  46   7.741  -3.244  -0.329
  367    HD2  TYR  46          2HD       TYR  46  11.232  -4.249   1.884
  368    HE1  TYR  46          1HE       TYR  46   9.012  -3.464  -2.420
  369    HE2  TYR  46          2HE       TYR  46  12.493  -4.472  -0.202
  370    HH   TYR  46           HH       TYR  46  11.098  -3.612  -3.296
  371    H    LYS  47           H        LYS  47   6.749  -5.865   4.700
  372    HA   LYS  47           HA       LYS  47   7.845  -5.294   7.137
  373   1HB   LYS  47          1HB       LYS  47   7.313  -2.866   6.081
  374   2HB   LYS  47          1HB       LYS  47   5.775  -3.202   6.869
  375   1HG   LYS  47          1HG       LYS  47   7.029  -3.679   8.964
  376   2HG   LYS  47          1HG       LYS  47   8.496  -3.119   8.159
  377   1HD   LYS  47          1HD       LYS  47   7.930  -1.103   8.984
  378   2HD   LYS  47          1HD       LYS  47   6.755  -1.069   7.667
  379   1HE   LYS  47          1HE       LYS  47   5.675  -0.515   9.769
  380   2HE   LYS  47          1HE       LYS  47   5.072  -2.052   9.158
  381   1HZ   LYS  47          1HZ       LYS  47   6.610  -3.173  10.694
  382   2HZ   LYS  47          2HZ       LYS  47   5.473  -2.216  11.501
  383   3HZ   LYS  47          3HZ       LYS  47   7.065  -1.671  11.325
  384    H    GLY  48           H        GLY  48   6.779  -6.751   8.336
  385   1HA   GLY  48          2HA       GLY  48   4.403  -6.895   9.393
  386   2HA   GLY  48          1HA       GLY  48   3.964  -7.313   7.744
  387    H    PHE  49           H        PHE  49   7.046  -8.478   8.480
  388    HA   PHE  49           HA       PHE  49   6.765 -11.051   7.921
  389   1HB   PHE  49          1HB       PHE  49   8.426  -9.889  10.159
  390   2HB   PHE  49          1HB       PHE  49   8.586 -11.554   9.640
  391    HD1  PHE  49          1HD       PHE  49   8.101  -8.732   7.280
  392    HD2  PHE  49          2HD       PHE  49  10.853 -11.416   9.105
  393    HE1  PHE  49          1HE       PHE  49   9.838  -8.031   5.690
  394    HE2  PHE  49          2HE       PHE  49  12.588 -10.730   7.511
  395    HZ   PHE  49           HZ       PHE  49  12.085  -9.036   5.801
  396    H    GLN  50           H        GLN  50   6.304  -9.829  11.204
  397    HA   GLN  50           HA       GLN  50   5.594 -12.415  12.233
  398   1HB   GLN  50          1HB       GLN  50   4.990 -11.299  14.303
  399   2HB   GLN  50          1HB       GLN  50   6.532 -10.695  13.712
  400   1HG   GLN  50          1HG       GLN  50   5.725  -8.660  13.960
  401   2HG   GLN  50          1HG       GLN  50   4.647  -8.994  12.605
  402   1HE2  GLN  50          1HE2      GLN  50   2.668  -8.361  13.058
  403   2HE2  GLN  50          2HE2      GLN  50   1.854  -8.549  14.571
  404    H    ALA  51           H        ALA  51   3.865  -9.892  10.683
  405    HA   ALA  51           HA       ALA  51   1.212 -11.047  11.144
  406   1HB   ALA  51          1HB       ALA  51   0.486  -8.959  11.329
  407   2HB   ALA  51          2HB       ALA  51   1.096  -8.613   9.710
  408   3HB   ALA  51          3HB       ALA  51   2.134  -8.367  11.114
  409    H    LEU  52           H        LEU  52   3.741 -11.063   9.025
  410    HA   LEU  52           HA       LEU  52   3.008 -10.260   6.636
  411   1HB   LEU  52          1HB       LEU  52   5.008 -11.727   7.672
  412   2HB   LEU  52          1HB       LEU  52   4.297 -12.883   6.569
  413    HG   LEU  52           HG       LEU  52   4.506 -11.052   4.790
  414   1HD1  LEU  52          1HD1      LEU  52   6.736  -9.932   6.376
  415   2HD1  LEU  52          2HD1      LEU  52   5.105  -9.442   6.827
  416   3HD1  LEU  52          3HD1      LEU  52   5.679  -9.157   5.194
  417   1HD2  LEU  52          1HD2      LEU  52   5.946 -13.142   5.150
  418   2HD2  LEU  52          2HD2      LEU  52   7.130 -12.050   5.867
  419   3HD2  LEU  52          3HD2      LEU  52   6.637 -11.838   4.192
  420    H    GLY  53           H        GLY  53   2.671 -13.781   7.187
  421   1HA   GLY  53          2HA       GLY  53   1.395 -15.275   5.908
  422   2HA   GLY  53          1HA       GLY  53   0.100 -14.096   6.150
  423    H    ASP  54           H        ASP  54   3.073 -13.216   4.610
  424    HA   ASP  54           HA       ASP  54   2.101 -11.854   2.510
  425   1HB   ASP  54          1HB       ASP  54   4.287 -12.233   1.375
  426   2HB   ASP  54          1HB       ASP  54   4.442 -11.745   3.057
  427    H    ALA  55           H        ALA  55   2.433 -15.291   2.736
  428    HA   ALA  55           HA       ALA  55   2.248 -15.901   0.021
  429   1HB   ALA  55          1HB       ALA  55   1.749 -17.339   2.555
  430   2HB   ALA  55          2HB       ALA  55   2.735 -17.795   1.166
  431   3HB   ALA  55          3HB       ALA  55   0.983 -17.997   1.110
  432    H    ALA  56           H        ALA  56  -0.396 -16.243   2.404
  433    HA   ALA  56           HA       ALA  56  -2.181 -15.238   0.277
  434   1HB   ALA  56          1HB       ALA  56  -3.563 -16.988   0.386
  435   2HB   ALA  56          2HB       ALA  56  -3.412 -17.134   2.137
  436   3HB   ALA  56          3HB       ALA  56  -2.164 -17.802   1.087
  437    H    ASP  57           H        ASP  57  -1.313 -13.371   2.122
  438    HA   ASP  57           HA       ASP  57  -3.857 -12.952   3.549
  439   1HB   ASP  57          1HB       ASP  57  -1.102 -12.788   4.584
  440   2HB   ASP  57          1HB       ASP  57  -2.150 -11.447   5.029
  441    H    ILE  58           H        ILE  58  -2.757 -12.078   0.864
  442    HA   ILE  58           HA       ILE  58  -3.514  -9.272   1.166
  443    HB   ILE  58           HB       ILE  58  -1.136  -9.827  -0.555
  444   1HG1  ILE  58          1HG1      ILE  58  -0.212  -8.830   1.959
  445   2HG1  ILE  58          1HG1      ILE  58  -1.137 -10.296   2.263
  446   1HG2  ILE  58          1HG2      ILE  58  -1.906  -7.431   1.116
  447   2HG2  ILE  58          2HG2      ILE  58  -2.418  -7.681  -0.557
  448   3HG2  ILE  58          3HG2      ILE  58  -0.702  -7.498  -0.177
  449   1HD1  ILE  58          1HD1      ILE  58   0.335 -11.633   1.258
  450   2HD1  ILE  58          2HD1      ILE  58   1.438 -10.325   1.709
  451   3HD1  ILE  58          3HD1      ILE  58   0.802 -10.415   0.067
  452    H    ARG  59           H        ARG  59  -5.089  -9.029  -0.308
  453    HA   ARG  59           HA       ARG  59  -4.571  -9.987  -2.987
  454   1HB   ARG  59          1HB       ARG  59  -6.884 -11.055  -1.391
  455   2HB   ARG  59          1HB       ARG  59  -6.791 -11.161  -3.144
  456   1HG   ARG  59          1HG       ARG  59  -4.345 -12.138  -2.245
  457   2HG   ARG  59          1HG       ARG  59  -5.536 -12.800  -1.130
  458   1HD   ARG  59          1HD       ARG  59  -6.328 -14.194  -2.666
  459   2HD   ARG  59          1HD       ARG  59  -6.405 -12.931  -3.888
  460    HE   ARG  59           HE       ARG  59  -4.150 -13.418  -4.486
  461   1HH1  ARG  59          1HH1      ARG  59  -5.521 -15.692  -2.208
  462   2HH1  ARG  59          2HH1      ARG  59  -4.350 -16.919  -2.549
  463   1HH2  ARG  59          1HH2      ARG  59  -2.615 -15.035  -4.922
  464   2HH2  ARG  59          2HH2      ARG  59  -2.702 -16.548  -4.084
  465    H    PHE  60           H        PHE  60  -6.360  -7.994  -0.913
  466    HA   PHE  60           HA       PHE  60  -7.041  -6.217  -3.026
  467   1HB   PHE  60          1HB       PHE  60  -9.162  -7.237  -1.123
  468   2HB   PHE  60          1HB       PHE  60  -9.376  -5.969  -2.320
  469    HD1  PHE  60          1HD       PHE  60  -8.692  -9.585  -1.919
  470    HD2  PHE  60          2HD       PHE  60 -10.028  -6.477  -4.502
  471    HE1  PHE  60          1HE       PHE  60  -9.450 -11.268  -3.545
  472    HE2  PHE  60          2HE       PHE  60 -10.789  -8.154  -6.133
  473    HZ   PHE  60           HZ       PHE  60 -10.501 -10.554  -5.656
  474    H    VAL  61           H        VAL  61  -7.592  -4.205  -2.288
  475    HA   VAL  61           HA       VAL  61  -6.442  -3.637   0.347
  476    HB   VAL  61           HB       VAL  61  -5.446  -1.799  -0.518
  477   1HG1  VAL  61          1HG1      VAL  61  -4.026  -2.615  -1.980
  478   2HG1  VAL  61          2HG1      VAL  61  -5.288  -2.944  -3.167
  479   3HG1  VAL  61          3HG1      VAL  61  -4.993  -4.082  -1.849
  480   1HG2  VAL  61          1HG2      VAL  61  -6.828  -0.340  -1.487
  481   2HG2  VAL  61          2HG2      VAL  61  -7.737  -1.607  -2.306
  482   3HG2  VAL  61          3HG2      VAL  61  -6.208  -1.042  -2.979
  483    H    TYR  62           H        TYR  62  -7.735  -2.649   1.829
  484    HA   TYR  62           HA       TYR  62 -10.376  -1.845   0.891
  485   1HB   TYR  62          1HB       TYR  62  -9.415  -2.474   3.679
  486   2HB   TYR  62          1HB       TYR  62 -11.077  -2.127   3.228
  487    HD1  TYR  62          1HD       TYR  62 -12.238  -4.057   3.683
  488    HD2  TYR  62          2HD       TYR  62  -8.572  -4.360   1.524
  489    HE1  TYR  62          1HE       TYR  62 -12.663  -6.445   3.287
  490    HE2  TYR  62          2HE       TYR  62  -8.983  -6.725   1.145
  491    HH   TYR  62           HH       TYR  62 -11.993  -8.205   1.739
  492    H    THR  63           H        THR  63 -10.443   0.200   0.380
  493    HA   THR  63           HA       THR  63  -9.332   2.297   2.142
  494    HB   THR  63           HB       THR  63  -8.536   3.084   0.150
  495    HG1  THR  63          1HG       THR  63 -10.749   4.212   0.548
  496   1HG2  THR  63          1HG2      THR  63 -10.645   1.732  -1.511
  497   2HG2  THR  63          2HG2      THR  63  -9.213   0.861  -0.941
  498   3HG2  THR  63          3HG2      THR  63  -9.029   2.268  -1.988
  499    HA   PRO  64           HA       PRO  64 -13.456   3.413   3.413
  500   1HB   PRO  64          1HB       PRO  64 -12.512   6.205   3.549
  501   2HB   PRO  64          1HB       PRO  64 -13.133   5.164   4.835
  502   1HG   PRO  64          1HG       PRO  64 -10.525   5.868   4.621
  503   2HG   PRO  64          1HG       PRO  64 -11.053   4.330   5.328
  504   1HD   PRO  64          1HD       PRO  64  -9.850   4.889   2.673
  505   2HD   PRO  64          1HD       PRO  64  -9.708   3.452   3.698
  506    H    ALA  65           H        ALA  65 -15.153   3.859   2.176
  507    HA   ALA  65           HA       ALA  65 -14.919   5.074  -0.354
  508   1HB   ALA  65          1HB       ALA  65 -16.265   3.359  -0.778
  509   2HB   ALA  65          2HB       ALA  65 -17.550   4.353  -0.106
  510   3HB   ALA  65          3HB       ALA  65 -16.707   3.193   0.918
  511    H    MET  66           H        MET  66 -14.716   7.010   1.755
  512    HA   MET  66           HA       MET  66 -17.307   8.350   1.784
  513   1HB   MET  66          1HB       MET  66 -14.747   8.701   3.256
  514   2HB   MET  66          1HB       MET  66 -15.773  10.110   3.066
  515   1HG   MET  66          1HG       MET  66 -17.296   9.358   4.523
  516   2HG   MET  66          1HG       MET  66 -17.127   7.683   3.999
  517   1HE   MET  66          1HE       MET  66 -16.011   9.174   7.872
  518   2HE   MET  66          2HE       MET  66 -17.317   8.106   7.359
  519   3HE   MET  66          3HE       MET  66 -17.178   9.723   6.669
  520    H    GLU  67           H        GLU  67 -17.290  10.786   1.352
  521    HA   GLU  67           HA       GLU  67 -16.206  11.206  -1.290
  522   1HB   GLU  67          1HB       GLU  67 -18.455  12.086  -0.037
  523   2HB   GLU  67          1HB       GLU  67 -17.419  13.499   0.114
  524   1HG   GLU  67          1HG       GLU  67 -17.176  13.677  -2.240
  525   2HG   GLU  67          1HG       GLU  67 -17.926  12.103  -2.500
  526    H    SER  68           H        SER  68 -14.318  12.147  -1.756
  527    HA   SER  68           HA       SER  68 -12.338  13.251  -1.522
  528   1HB   SER  68          1HB       SER  68 -13.823  14.891   0.548
  529   2HB   SER  68          1HB       SER  68 -12.330  15.344  -0.271
  530    HG   SER  68           HG       SER  68 -14.446  14.691  -1.933
  531    H    VAL  69           H        VAL  69 -12.982  10.934   0.057
  532    HA   VAL  69           HA       VAL  69 -11.740  11.263   2.652
  533    HB   VAL  69           HB       VAL  69 -13.675   9.707   2.134
  534   1HG1  VAL  69          1HG1      VAL  69 -11.917   7.522   1.391
  535   2HG1  VAL  69          2HG1      VAL  69 -12.018   8.778   0.159
  536   3HG1  VAL  69          3HG1      VAL  69 -13.483   7.987   0.732
  537   1HG2  VAL  69          1HG2      VAL  69 -11.484   8.104   3.349
  538   2HG2  VAL  69          2HG2      VAL  69 -13.134   8.338   3.908
  539   3HG2  VAL  69          3HG2      VAL  69 -11.947   9.621   4.121
  540    H    CYS  70           H        CYS  70 -10.142   9.492   3.262
  541    HA   CYS  70           HA       CYS  70  -7.999   9.520   1.294
  542   1HB   CYS  70          1HB       CYS  70  -6.611   8.672   3.223
  543   2HB   CYS  70          1HB       CYS  70  -7.271  10.269   3.472
  544    H    GLY  71           H        GLY  71  -9.276   8.109   0.075
  545   1HA   GLY  71          2HA       GLY  71  -9.483   5.365   0.988
  546   2HA   GLY  71          1HA       GLY  71 -10.074   5.996  -0.546
  547    H    TYR  72           H        TYR  72  -8.810   5.862  -2.301
  548    HA   TYR  72           HA       TYR  72  -5.991   5.613  -2.136
  549   1HB   TYR  72          1HB       TYR  72  -6.843   3.360  -1.393
  550   2HB   TYR  72          1HB       TYR  72  -7.400   3.127  -3.050
  551    HD1  TYR  72          1HD       TYR  72  -4.405   3.816  -1.008
  552    HD2  TYR  72          2HD       TYR  72  -5.908   2.387  -4.714
  553    HE1  TYR  72          1HE       TYR  72  -2.175   3.021  -1.585
  554    HE2  TYR  72          2HE       TYR  72  -3.666   1.584  -5.321
  555    HH   TYR  72           HH       TYR  72  -1.237   2.228  -4.646
  556    H    PHE  73           H        PHE  73  -6.412   7.380  -3.642
  557    HA   PHE  73           HA       PHE  73  -7.579   6.899  -6.147
  558   1HB   PHE  73          1HB       PHE  73  -6.057   9.085  -4.932
  559   2HB   PHE  73          1HB       PHE  73  -5.900   8.976  -6.683
  560    HD1  PHE  73          1HD       PHE  73  -8.382   9.239  -3.935
  561    HD2  PHE  73          2HD       PHE  73  -7.608   9.681  -8.096
  562    HE1  PHE  73          1HE       PHE  73 -10.569  10.336  -4.225
  563    HE2  PHE  73          2HE       PHE  73  -9.785  10.779  -8.392
  564    HZ   PHE  73           HZ       PHE  73 -11.271  11.110  -6.457
  565    H    HIS  74           H        HIS  74  -6.801   5.030  -6.928
  566    HA   HIS  74           HA       HIS  74  -3.987   4.995  -7.756
  567   1HB   HIS  74          1HB       HIS  74  -4.590   3.026  -6.567
  568   2HB   HIS  74          1HB       HIS  74  -6.042   2.802  -7.533
  569    HD1  HIS  74          1HD       HIS  74  -5.740   0.906  -9.092
  570    HD2  HIS  74          2HD       HIS  74  -2.217   3.028  -8.538
  571    HE1  HIS  74          1HE       HIS  74  -4.039  -0.223 -10.556
  572    HE2  HIS  74          2HE       HIS  74  -1.874   0.962 -10.052
  573    H    ARG  75           H        ARG  75  -3.474   5.618  -9.687
  574    HA   ARG  75           HA       ARG  75  -5.319   5.082 -11.918
  575   1HB   ARG  75          1HB       ARG  75  -4.399   7.260 -12.914
  576   2HB   ARG  75          1HB       ARG  75  -5.558   7.400 -11.600
  577   1HG   ARG  75          1HG       ARG  75  -2.647   7.389 -10.960
  578   2HG   ARG  75          1HG       ARG  75  -3.379   8.851 -11.627
  579   1HD   ARG  75          1HD       ARG  75  -5.114   8.673  -9.810
  580   2HD   ARG  75          1HD       ARG  75  -4.128   7.398  -9.098
  581    HE   ARG  75           HE       ARG  75  -3.590  10.234  -9.082
  582   1HH1  ARG  75          1HH1      ARG  75  -2.235   7.038  -8.715
  583   2HH1  ARG  75          2HH1      ARG  75  -0.898   7.581  -7.758
  584   1HH2  ARG  75          1HH2      ARG  75  -1.832  10.946  -7.824
  585   2HH2  ARG  75          2HH2      ARG  75  -0.670   9.796  -7.252
  586    H    SER  76           H        SER  76  -4.093   3.219 -12.467
  587    HA   SER  76           HA       SER  76  -1.683   3.874 -13.972
  588   1HB   SER  76          1HB       SER  76  -1.743   2.240 -11.527
  589   2HB   SER  76          1HB       SER  76  -0.879   1.509 -12.876
  590    HG   SER  76           HG       SER  76   0.653   2.729 -12.023
  591    H    HIS  77           H        HIS  77  -2.382   3.330 -15.949
  592    HA   HIS  77           HA       HIS  77  -4.228   1.432 -16.717
  593   1HB   HIS  77          1HB       HIS  77  -3.099   1.464 -18.940
  594   2HB   HIS  77          1HB       HIS  77  -3.400   3.073 -18.289
  595    HD1  HIS  77          1HD       HIS  77  -0.861   1.264 -19.963
  596    HD2  HIS  77          2HD       HIS  77  -0.851   3.975 -16.809
  597    HE1  HIS  77          1HE       HIS  77   1.492   2.147 -19.838
  598    HE2  HIS  77          2HE       HIS  77   1.502   3.684 -17.842
  599    H    ASN  78           H        ASN  78  -0.726   1.054 -16.566
  600    HA   ASN  78           HA       ASN  78  -0.753  -1.694 -17.250
  601   1HB   ASN  78          1HB       ASN  78   1.159   0.147 -17.276
  602   2HB   ASN  78          1HB       ASN  78   1.545  -0.599 -15.735
  603   1HD2  ASN  78          1HD2      ASN  78   3.019  -2.114 -15.873
  604   2HD2  ASN  78          2HD2      ASN  78   3.268  -3.178 -17.211
  605    H    ARG  79           H        ARG  79  -1.440  -3.306 -16.112
  606    HA   ARG  79           HA       ARG  79  -1.706  -3.210 -13.257
  607   1HB   ARG  79          1HB       ARG  79  -2.716  -5.452 -13.521
  608   2HB   ARG  79          1HB       ARG  79  -3.478  -4.248 -14.543
  609   1HG   ARG  79          1HG       ARG  79  -1.283  -5.920 -15.655
  610   2HG   ARG  79          1HG       ARG  79  -2.892  -6.621 -15.460
  611   1HD   ARG  79          1HD       ARG  79  -3.561  -5.622 -17.339
  612   2HD   ARG  79          1HD       ARG  79  -3.184  -4.047 -16.644
  613    HE   ARG  79           HE       ARG  79  -1.224  -4.003 -17.848
  614   1HH1  ARG  79          1HH1      ARG  79  -2.656  -7.167 -18.074
  615   2HH1  ARG  79          2HH1      ARG  79  -1.539  -7.719 -19.274
  616   1HH2  ARG  79          1HH2      ARG  79   0.253  -4.726 -19.405
  617   2HH2  ARG  79          2HH2      ARG  79   0.116  -6.335 -20.029
  618    H    SER  80           H        SER  80   0.662  -4.148 -15.452
  619    HA   SER  80           HA       SER  80   1.999  -6.009 -13.611
  620   1HB   SER  80          1HB       SER  80   2.703  -5.143 -16.429
  621   2HB   SER  80          1HB       SER  80   3.567  -6.371 -15.504
  622    HG   SER  80           HG       SER  80   1.625  -7.591 -15.473
  623    H    GLU  81           H        GLU  81   1.747  -2.770 -13.832
  624    HA   GLU  81           HA       GLU  81   4.570  -2.146 -13.571
  625   1HB   GLU  81          1HB       GLU  81   2.617  -0.550 -14.361
  626   2HB   GLU  81          1HB       GLU  81   2.452  -0.250 -12.641
  627   1HG   GLU  81          1HG       GLU  81   3.866   1.436 -13.467
  628   2HG   GLU  81          1HG       GLU  81   4.912   0.291 -12.627
  629    H    GLU  82           H        GLU  82   5.668  -2.200 -11.683
  630    HA   GLU  82           HA       GLU  82   4.574  -3.375  -9.376
  631   1HB   GLU  82          1HB       GLU  82   7.087  -3.003 -10.445
  632   2HB   GLU  82          1HB       GLU  82   7.104  -1.945  -9.040
  633   1HG   GLU  82          1HG       GLU  82   6.132  -4.750  -8.780
  634   2HG   GLU  82          1HG       GLU  82   7.864  -4.411  -8.825
  635    H    PHE  83           H        PHE  83   4.991  -2.267  -7.137
  636    HA   PHE  83           HA       PHE  83   4.673   0.560  -7.123
  637   1HB   PHE  83          1HB       PHE  83   2.299  -1.166  -6.817
  638   2HB   PHE  83          1HB       PHE  83   2.468   0.126  -5.638
  639    HD1  PHE  83          1HD       PHE  83   2.545   2.455  -6.362
  640    HD2  PHE  83          2HD       PHE  83   1.739  -0.703  -9.098
  641    HE1  PHE  83          1HE       PHE  83   1.650   4.085  -7.969
  642    HE2  PHE  83          2HE       PHE  83   0.845   0.921 -10.713
  643    HZ   PHE  83           HZ       PHE  83   0.799   3.318 -10.150
  644    H    LEU  84           H        LEU  84   4.046   1.290  -4.886
  645    HA   LEU  84           HA       LEU  84   5.481  -0.302  -2.845
  646   1HB   LEU  84          1HB       LEU  84   6.856   1.628  -3.610
  647   2HB   LEU  84          1HB       LEU  84   5.577   2.714  -3.111
  648    HG   LEU  84           HG       LEU  84   7.562   2.480  -1.552
  649   1HD1  LEU  84          1HD1      LEU  84   6.256   2.900   0.319
  650   2HD1  LEU  84          2HD1      LEU  84   4.969   1.818  -0.212
  651   3HD1  LEU  84          3HD1      LEU  84   5.220   3.360  -1.031
  652   1HD2  LEU  84          1HD2      LEU  84   7.669  -0.011  -1.737
  653   2HD2  LEU  84          2HD2      LEU  84   6.199  -0.087  -0.765
  654   3HD2  LEU  84          3HD2      LEU  84   7.671   0.612  -0.087
  655    H    ILE  85           H        ILE  85   4.256  -0.759  -1.123
  656    HA   ILE  85           HA       ILE  85   1.935   1.011  -0.646
  657    HB   ILE  85           HB       ILE  85   2.032  -1.988  -0.273
  658   1HG1  ILE  85          1HG1      ILE  85   2.067  -1.182  -2.654
  659   2HG1  ILE  85          1HG1      ILE  85   0.669  -2.167  -2.236
  660   1HG2  ILE  85          1HG2      ILE  85  -0.590  -0.710  -0.364
  661   2HG2  ILE  85          2HG2      ILE  85   0.389  -0.186   1.005
  662   3HG2  ILE  85          3HG2      ILE  85   0.055  -1.900   0.764
  663   1HD1  ILE  85          1HD1      ILE  85   0.807   0.563  -3.186
  664   2HD1  ILE  85          2HD1      ILE  85  -0.189   0.397  -1.742
  665   3HD1  ILE  85          3HD1      ILE  85  -0.544  -0.570  -3.172
  666    H    ALA  86           H        ALA  86   2.242   2.073   1.111
  667    HA   ALA  86           HA       ALA  86   3.260   0.773   3.585
  668   1HB   ALA  86          1HB       ALA  86   3.917   2.841   4.459
  669   2HB   ALA  86          2HB       ALA  86   2.833   3.746   3.402
  670   3HB   ALA  86          3HB       ALA  86   4.311   3.033   2.751
  671    H    GLY  87           H        GLY  87   1.637   0.031   4.728
  672   1HA   GLY  87          2HA       GLY  87  -0.754   1.619   5.227
  673   2HA   GLY  87          1HA       GLY  87  -1.008   0.057   4.466
  674    H    LYS  88           H        LYS  88  -2.303  -0.266   6.450
  675    HA   LYS  88           HA       LYS  88  -0.844  -1.604   8.564
  676   1HB   LYS  88          1HB       LYS  88  -3.002   0.469   8.999
  677   2HB   LYS  88          1HB       LYS  88  -2.473  -0.639  10.238
  678   1HG   LYS  88          1HG       LYS  88  -0.172   0.396   9.931
  679   2HG   LYS  88          1HG       LYS  88  -0.985   1.669   9.028
  680   1HD   LYS  88          1HD       LYS  88  -2.021   0.894  11.704
  681   2HD   LYS  88          1HD       LYS  88  -0.545   1.855  11.614
  682   1HE   LYS  88          1HE       LYS  88  -2.944   2.671  10.042
  683   2HE   LYS  88          1HE       LYS  88  -2.867   3.013  11.769
  684   1HZ   LYS  88          1HZ       LYS  88  -0.733   4.143  11.371
  685   2HZ   LYS  88          2HZ       LYS  88  -2.022   4.879  10.564
  686   3HZ   LYS  88          3HZ       LYS  88  -0.930   3.914   9.706
  687    H    LEU  89           H        LEU  89  -2.033  -3.433   9.338
  688    HA   LEU  89           HA       LEU  89  -4.185  -4.338   7.683
  689   1HB   LEU  89          1HB       LEU  89  -2.508  -5.438   9.867
  690   2HB   LEU  89          1HB       LEU  89  -4.078  -6.181   9.631
  691    HG   LEU  89           HG       LEU  89  -1.932  -5.936   7.535
  692   1HD1  LEU  89          1HD1      LEU  89  -2.899  -8.493   8.740
  693   2HD1  LEU  89          2HD1      LEU  89  -1.658  -7.542   9.556
  694   3HD1  LEU  89          3HD1      LEU  89  -1.374  -8.146   7.924
  695   1HD2  LEU  89          1HD2      LEU  89  -3.329  -7.292   6.140
  696   2HD2  LEU  89          2HD2      LEU  89  -4.286  -5.913   6.680
  697   3HD2  LEU  89          3HD2      LEU  89  -4.512  -7.491   7.432
  698    H    GLN  90           H        GLN  90  -6.304  -4.816   8.266
  699    HA   GLN  90           HA       GLN  90  -7.269  -3.850  10.870
  700   1HB   GLN  90          1HB       GLN  90  -8.283  -3.209   8.140
  701   2HB   GLN  90          1HB       GLN  90  -9.453  -3.392   9.434
  702   1HG   GLN  90          1HG       GLN  90  -7.137  -1.466   9.410
  703   2HG   GLN  90          1HG       GLN  90  -8.827  -1.062   9.113
  704   1HE2  GLN  90          1HE2      GLN  90  -9.971  -0.387  10.781
  705   2HE2  GLN  90          2HE2      GLN  90  -9.573  -0.615  12.447
  706    H    ASP  91           H        ASP  91  -7.923  -5.613  11.947
  707    HA   ASP  91           HA       ASP  91  -8.576  -7.781  12.304
  708   1HB   ASP  91          1HB       ASP  91 -10.707  -6.260  10.932
  709   2HB   ASP  91          1HB       ASP  91 -10.968  -7.993  11.103
  710    H    GLY  92           H        GLY  92  -6.866  -7.609   9.848
  711   1HA   GLY  92          2HA       GLY  92  -6.248  -9.763   8.854
  712   2HA   GLY  92          1HA       GLY  92  -7.951 -10.081   8.637
  713    H    LEU  93           H        LEU  93  -7.882  -7.024   7.652
  714    HA   LEU  93           HA       LEU  93  -7.135  -7.786   4.898
  715   1HB   LEU  93          1HB       LEU  93  -9.267  -5.780   5.553
  716   2HB   LEU  93          1HB       LEU  93  -8.974  -6.612   4.037
  717    HG   LEU  93           HG       LEU  93  -9.705  -8.247   6.417
  718   1HD1  LEU  93          1HD1      LEU  93 -11.612  -7.159   6.751
  719   2HD1  LEU  93          2HD1      LEU  93 -12.114  -7.707   5.153
  720   3HD1  LEU  93          3HD1      LEU  93 -11.352  -6.128   5.345
  721   1HD2  LEU  93          1HD2      LEU  93 -11.099  -9.105   4.210
  722   2HD2  LEU  93          2HD2      LEU  93  -9.556  -9.750   4.770
  723   3HD2  LEU  93          3HD2      LEU  93  -9.590  -8.510   3.517
  724    H    LEU  94           H        LEU  94  -6.224  -6.184   3.491
  725    HA   LEU  94           HA       LEU  94  -4.562  -4.337   4.788
  726   1HB   LEU  94          1HB       LEU  94  -4.126  -5.550   2.627
  727   2HB   LEU  94          1HB       LEU  94  -5.248  -4.441   1.866
  728    HG   LEU  94           HG       LEU  94  -3.794  -2.555   2.489
  729   1HD1  LEU  94          1HD1      LEU  94  -1.607  -4.433   3.207
  730   2HD1  LEU  94          2HD1      LEU  94  -2.789  -3.990   4.438
  731   3HD1  LEU  94          3HD1      LEU  94  -1.836  -2.740   3.642
  732   1HD2  LEU  94          1HD2      LEU  94  -1.739  -3.979   1.147
  733   2HD2  LEU  94          2HD2      LEU  94  -2.908  -2.842   0.480
  734   3HD2  LEU  94          3HD2      LEU  94  -3.293  -4.561   0.546
  735    H    HIS  95           H        HIS  95  -4.525  -2.088   4.558
  736    HA   HIS  95           HA       HIS  95  -6.981  -0.804   3.660
  737   1HB   HIS  95          1HB       HIS  95  -5.887  -0.639   6.450
  738   2HB   HIS  95          1HB       HIS  95  -6.752   0.726   5.752
  739    HD1  HIS  95          1HD       HIS  95  -9.021   0.712   6.719
  740    HD2  HIS  95          2HD       HIS  95  -7.746  -3.118   5.743
  741    HE1  HIS  95          1HE       HIS  95 -10.979  -0.791   7.195
  742    HE2  HIS  95          2HE       HIS  95 -10.143  -3.116   6.702
  743    H    ILE  96           H        ILE  96  -6.659   1.137   2.735
  744    HA   ILE  96           HA       ILE  96  -3.952   2.263   2.886
  745    HB   ILE  96           HB       ILE  96  -4.981   2.637   0.241
  746   1HG1  ILE  96          1HG1      ILE  96  -6.134   0.484   0.732
  747   2HG1  ILE  96          1HG1      ILE  96  -4.983   0.401  -0.599
  748   1HG2  ILE  96          1HG2      ILE  96  -2.520   1.521   1.514
  749   2HG2  ILE  96          2HG2      ILE  96  -2.716   2.949   0.498
  750   3HG2  ILE  96          3HG2      ILE  96  -2.770   1.343  -0.224
  751   1HD1  ILE  96          1HD1      ILE  96  -5.109  -1.218   1.702
  752   2HD1  ILE  96          2HD1      ILE  96  -3.637  -0.239   1.834
  753   3HD1  ILE  96          3HD1      ILE  96  -3.904  -1.249   0.403
  754    H    THR  97           H        THR  97  -3.779   4.480   2.442
  755    HA   THR  97           HA       THR  97  -6.277   5.919   2.047
  756    HB   THR  97           HB       THR  97  -5.582   7.446   3.996
  757    HG1  THR  97          1HG       THR  97  -3.797   6.914   4.930
  758   1HG2  THR  97          1HG2      THR  97  -7.276   5.350   3.983
  759   2HG2  THR  97          2HG2      THR  97  -6.995   6.394   5.377
  760   3HG2  THR  97          3HG2      THR  97  -6.144   4.857   5.241
  761    H    THR  98           H        THR  98  -6.094   7.930   1.161
  762    HA   THR  98           HA       THR  98  -3.883   8.424  -0.490
  763    HB   THR  98           HB       THR  98  -4.971  10.577  -0.974
  764    HG1  THR  98          1HG       THR  98  -6.111  10.107   1.454
  765   1HG2  THR  98          1HG2      THR  98  -6.222   8.000  -1.185
  766   2HG2  THR  98          2HG2      THR  98  -6.216   9.345  -2.328
  767   3HG2  THR  98          3HG2      THR  98  -7.429   9.278  -1.049
  768    H    CYS  99           H        CYS  99  -4.043   8.800   2.746
  769    HA   CYS  99           HA       CYS  99  -1.923  10.835   2.687
  770   1HB   CYS  99          1HB       CYS  99  -3.997  11.586   3.944
  771   2HB   CYS  99          1HB       CYS  99  -3.588  10.397   5.157
  772    H    SER 100           H        SER 100  -1.847   8.002   2.313
  773    HA   SER 100           HA       SER 100  -0.013   7.287   4.505
  774   1HB   SER 100          1HB       SER 100  -2.189   5.866   4.158
  775   2HB   SER 100          1HB       SER 100  -1.340   5.221   2.759
  776    HG   SER 100           HG       SER 100   0.195   4.366   4.083
  777    H    PHE 101           H        PHE 101   1.976   6.359   3.815
  778    HA   PHE 101           HA       PHE 101   2.888   7.355   1.344
  779   1HB   PHE 101          1HB       PHE 101   4.325   6.868   3.366
  780   2HB   PHE 101          1HB       PHE 101   4.300   5.179   2.873
  781    HD1  PHE 101          1HD       PHE 101   6.207   7.997   2.847
  782    HD2  PHE 101          2HD       PHE 101   4.808   5.002   0.169
  783    HE1  PHE 101          1HE       PHE 101   8.093   8.468   1.343
  784    HE2  PHE 101          2HE       PHE 101   6.689   5.468  -1.342
  785    HZ   PHE 101           HZ       PHE 101   8.336   7.204  -0.756
  786    H    VAL 102           H        VAL 102   2.007   6.623  -0.511
  787    HA   VAL 102           HA       VAL 102   2.386   3.807  -1.145
  788    HB   VAL 102           HB       VAL 102  -0.309   4.955  -1.744
  789   1HG1  VAL 102          1HG1      VAL 102  -0.416   3.032  -2.816
  790   2HG1  VAL 102          2HG1      VAL 102  -0.461   2.237  -1.243
  791   3HG1  VAL 102          3HG1      VAL 102   1.073   2.445  -2.085
  792   1HG2  VAL 102          1HG2      VAL 102  -0.564   5.154   0.515
  793   2HG2  VAL 102          2HG2      VAL 102   0.633   3.910   0.877
  794   3HG2  VAL 102          3HG2      VAL 102  -0.970   3.450   0.319
  795    H    ALA 103           H        ALA 103   3.637   4.031  -2.903
  796    HA   ALA 103           HA       ALA 103   2.451   5.160  -5.290
  797   1HB   ALA 103          1HB       ALA 103   3.596   7.062  -3.927
  798   2HB   ALA 103          2HB       ALA 103   3.831   6.966  -5.672
  799   3HB   ALA 103          3HB       ALA 103   5.084   6.375  -4.581
  800    HA   PRO 104           HA       PRO 104   4.951   2.436  -7.702
  801   1HB   PRO 104          1HB       PRO 104   6.536   4.706  -8.783
  802   2HB   PRO 104          1HB       PRO 104   5.749   3.380  -9.642
  803   1HG   PRO 104          1HG       PRO 104   4.619   5.795  -9.622
  804   2HG   PRO 104          1HG       PRO 104   3.602   4.354  -9.404
  805   1HD   PRO 104          1HD       PRO 104   4.580   6.317  -7.358
  806   2HD   PRO 104          1HD       PRO 104   3.003   5.510  -7.475
  807    H    TRP 105           H        TRP 105   6.385   1.202  -6.789
  808    HA   TRP 105           HA       TRP 105   8.522   1.836  -5.158
  809   1HB   TRP 105          1HB       TRP 105   7.631  -0.425  -5.896
  810   2HB   TRP 105          1HB       TRP 105   8.502  -0.217  -7.378
  811    HD1  TRP 105           HD       TRP 105  10.349  -1.905  -7.298
  812    HE1  TRP 105          1HE       TRP 105  12.145  -2.573  -5.617
  813    HE3  TRP 105          3HE       TRP 105   8.936   1.059  -3.390
  814    HZ2  TRP 105          2HZ       TRP 105  12.878  -1.957  -2.958
  815    HZ3  TRP 105          3HZ       TRP 105  10.251   0.964  -1.312
  816    HH2  TRP 105           HH       TRP 105  12.189  -0.509  -1.126
  817    H    ASN 106           H        ASN 106   8.327   1.286  -8.553
  818    HA   ASN 106           HA       ASN 106  10.792   1.911  -9.342
  819   1HB   ASN 106          1HB       ASN 106   8.241   2.239 -10.853
  820   2HB   ASN 106          1HB       ASN 106   9.827   2.368 -11.609
  821   1HD2  ASN 106          1HD2      ASN 106  11.066   0.544 -11.899
  822   2HD2  ASN 106          2HD2      ASN 106  10.443  -1.055 -11.701
  823    H    SER 107           H        SER 107   8.426   4.197  -8.358
  824    HA   SER 107           HA       SER 107   9.739   6.406  -9.661
  825   1HB   SER 107          1HB       SER 107   7.287   6.432  -9.376
  826   2HB   SER 107          1HB       SER 107   7.511   6.427  -7.625
  827    HG   SER 107           HG       SER 107   8.121   8.459  -9.487
  828    H    LEU 108           H        LEU 108  10.146   4.690  -7.004
  829    HA   LEU 108           HA       LEU 108  11.157   6.695  -5.206
  830   1HB   LEU 108          1HB       LEU 108  11.013   3.767  -5.219
  831   2HB   LEU 108          1HB       LEU 108  12.194   4.482  -4.163
  832    HG   LEU 108           HG       LEU 108  10.220   5.880  -3.258
  833   1HD1  LEU 108          1HD1      LEU 108   8.051   5.019  -3.523
  834   2HD1  LEU 108          2HD1      LEU 108   8.644   3.538  -4.276
  835   3HD1  LEU 108          3HD1      LEU 108   8.723   5.065  -5.153
  836   1HD2  LEU 108          1HD2      LEU 108  11.242   4.351  -1.824
  837   2HD2  LEU 108          2HD2      LEU 108  10.722   2.965  -2.785
  838   3HD2  LEU 108          3HD2      LEU 108   9.546   3.865  -1.824
  839    H    SER 109           H        SER 109  13.272   6.091  -4.200
  840    HA   SER 109           HA       SER 109  15.395   6.439  -6.192
  841   1HB   SER 109          1HB       SER 109  15.864   6.261  -3.242
  842   2HB   SER 109          1HB       SER 109  16.848   7.051  -4.461
  843    HG   SER 109           HG       SER 109  15.292   8.643  -4.654
  844    H    LEU 110           H        LEU 110  17.227   5.318  -6.146
  845    HA   LEU 110           HA       LEU 110  16.761   2.538  -6.333
  846   1HB   LEU 110          1HB       LEU 110  18.950   2.458  -7.193
  847   2HB   LEU 110          1HB       LEU 110  18.255   3.963  -7.756
  848    HG   LEU 110           HG       LEU 110  20.420   4.466  -7.144
  849   1HD1  LEU 110          1HD1      LEU 110  19.965   6.347  -6.160
  850   2HD1  LEU 110          2HD1      LEU 110  19.762   5.514  -4.624
  851   3HD1  LEU 110          3HD1      LEU 110  18.394   5.705  -5.713
  852   1HD2  LEU 110          1HD2      LEU 110  20.016   2.440  -5.154
  853   2HD2  LEU 110          2HD2      LEU 110  20.850   3.852  -4.494
  854   3HD2  LEU 110          3HD2      LEU 110  21.525   3.000  -5.886
  855    H    ALA 111           H        ALA 111  18.117   4.758  -4.025
  856    HA   ALA 111           HA       ALA 111  19.181   2.649  -2.409
  857   1HB   ALA 111          1HB       ALA 111  19.966   5.183  -2.663
  858   2HB   ALA 111          2HB       ALA 111  20.240   4.243  -1.189
  859   3HB   ALA 111          3HB       ALA 111  18.881   5.369  -1.283
  860    H    GLN 112           H        GLN 112  16.225   4.578  -2.757
  861    HA   GLN 112           HA       GLN 112  15.159   3.741  -0.214
  862   1HB   GLN 112          1HB       GLN 112  13.700   4.961  -2.570
  863   2HB   GLN 112          1HB       GLN 112  13.197   4.963  -0.882
  864   1HG   GLN 112          1HG       GLN 112  15.727   6.318  -1.374
  865   2HG   GLN 112          1HG       GLN 112  14.346   6.998  -2.239
  866   1HE2  GLN 112          1HE2      GLN 112  12.320   7.079  -0.748
  867   2HE2  GLN 112          2HE2      GLN 112  12.590   7.821   0.788
  868    H    ARG 113           H        ARG 113  15.804   2.400  -3.087
  869    HA   ARG 113           HA       ARG 113  13.469   0.682  -3.169
  870   1HB   ARG 113          1HB       ARG 113  15.445   1.462  -5.074
  871   2HB   ARG 113          1HB       ARG 113  15.673  -0.257  -4.775
  872   1HG   ARG 113          1HG       ARG 113  14.127  -0.529  -6.362
  873   2HG   ARG 113          1HG       ARG 113  12.979  -0.100  -5.096
  874   1HD   ARG 113          1HD       ARG 113  12.448   1.805  -6.078
  875   2HD   ARG 113          1HD       ARG 113  14.162   2.240  -6.298
  876    HE   ARG 113           HE       ARG 113  12.398   1.209  -8.280
  877   1HH1  ARG 113          1HH1      ARG 113  15.719   1.083  -7.205
  878   2HH1  ARG 113          2HH1      ARG 113  16.339   0.681  -8.771
  879   1HH2  ARG 113          1HH2      ARG 113  13.217   0.670 -10.334
  880   2HH2  ARG 113          2HH2      ARG 113  14.922   0.448 -10.543
  881    H    ARG 114           H        ARG 114  16.811   0.965  -2.287
  882    HA   ARG 114           HA       ARG 114  17.092  -1.736  -1.365
  883   1HB   ARG 114          1HB       ARG 114  18.792   0.459  -1.950
  884   2HB   ARG 114          1HB       ARG 114  19.027   0.084  -0.242
  885   1HG   ARG 114          1HG       ARG 114  19.040  -2.147  -2.199
  886   2HG   ARG 114          1HG       ARG 114  20.446  -1.080  -2.115
  887   1HD   ARG 114          1HD       ARG 114  20.576  -1.463   0.297
  888   2HD   ARG 114          1HD       ARG 114  19.200  -2.571   0.191
  889    HE   ARG 114           HE       ARG 114  21.912  -3.183  -0.372
  890   1HH1  ARG 114          1HH1      ARG 114  18.664  -3.863  -1.454
  891   2HH1  ARG 114          2HH1      ARG 114  19.087  -5.389  -2.154
  892   1HH2  ARG 114          1HH2      ARG 114  22.462  -5.186  -1.292
  893   2HH2  ARG 114          2HH2      ARG 114  21.237  -6.140  -2.059
  894    H    GLY 115           H        GLY 115  17.200   1.434   0.233
  895   1HA   GLY 115          2HA       GLY 115  17.170   0.576   2.842
  896   2HA   GLY 115          1HA       GLY 115  16.479   2.109   2.324
  897    H    PHE 116           H        PHE 116  14.265   1.222   0.812
  898    HA   PHE 116           HA       PHE 116  12.597   0.574   2.980
  899   1HB   PHE 116          1HB       PHE 116  12.177   0.875   0.046
  900   2HB   PHE 116          1HB       PHE 116  10.981  -0.091   0.895
  901    HD1  PHE 116          1HD       PHE 116  10.204   1.102   3.198
  902    HD2  PHE 116          2HD       PHE 116  11.659   3.061  -0.285
  903    HE1  PHE 116          1HE       PHE 116   9.003   3.153   3.849
  904    HE2  PHE 116          2HE       PHE 116  10.467   5.110   0.362
  905    HZ   PHE 116           HZ       PHE 116   9.132   5.151   2.430
  906    H    THR 117           H        THR 117  14.638  -1.355   1.213
  907    HA   THR 117           HA       THR 117  13.104  -3.795   1.630
  908    HB   THR 117           HB       THR 117  14.582  -3.190  -0.479
  909    HG1  THR 117          1HG       THR 117  13.953  -5.583   0.738
  910   1HG2  THR 117          1HG2      THR 117  16.637  -3.543   1.402
  911   2HG2  THR 117          2HG2      THR 117  16.761  -3.379  -0.347
  912   3HG2  THR 117          3HG2      THR 117  16.618  -4.977   0.377
  913    H    LYS 118           H        LYS 118  15.620  -1.902   2.992
  914    HA   LYS 118           HA       LYS 118  16.086  -3.993   5.008
  915   1HB   LYS 118          1HB       LYS 118  18.463  -3.624   4.889
  916   2HB   LYS 118          1HB       LYS 118  17.876  -3.898   3.261
  917   1HG   LYS 118          1HG       LYS 118  17.762  -1.431   2.953
  918   2HG   LYS 118          1HG       LYS 118  18.598  -1.269   4.497
  919   1HD   LYS 118          1HD       LYS 118  19.974  -3.141   2.805
  920   2HD   LYS 118          1HD       LYS 118  19.706  -1.617   1.959
  921   1HE   LYS 118          1HE       LYS 118  21.126  -0.483   3.255
  922   2HE   LYS 118          1HE       LYS 118  20.602  -1.304   4.727
  923   1HZ   LYS 118          1HZ       LYS 118  22.035  -3.099   4.293
  924   2HZ   LYS 118          2HZ       LYS 118  22.956  -1.712   3.996
  925   3HZ   LYS 118          3HZ       LYS 118  22.327  -2.601   2.702
  926    H    THR 119           H        THR 119  16.404  -0.583   4.250
  927    HA   THR 119           HA       THR 119  17.311   0.004   6.918
  928    HB   THR 119           HB       THR 119  17.056   2.234   5.149
  929    HG1  THR 119          1HG       THR 119  18.609   1.335   3.587
  930   1HG2  THR 119          1HG2      THR 119  18.819   1.504   7.021
  931   2HG2  THR 119          2HG2      THR 119  19.191   2.637   5.721
  932   3HG2  THR 119          3HG2      THR 119  19.679   0.942   5.578
  933    H    TYR 120           H        TYR 120  14.152   0.572   5.411
  934    HA   TYR 120           HA       TYR 120  13.950   2.871   7.176
  935   1HB   TYR 120          1HB       TYR 120  11.974   2.048   5.074
  936   2HB   TYR 120          1HB       TYR 120  12.078   3.579   5.927
  937    HD1  TYR 120          1HD       TYR 120  15.307   3.326   5.684
  938    HD2  TYR 120          2HD       TYR 120  12.034   3.461   2.973
  939    HE1  TYR 120          1HE       TYR 120  16.792   4.215   3.950
  940    HE2  TYR 120          2HE       TYR 120  13.514   4.353   1.225
  941    HH   TYR 120           HH       TYR 120  15.567   5.308   0.857
  942    H    THR 121           H        THR 121  13.575  -0.104   7.944
  943    HA   THR 121           HA       THR 121  10.898   0.098   9.057
  944    HB   THR 121           HB       THR 121  11.032  -2.112   9.577
  945    HG1  THR 121          1HG       THR 121  12.753  -3.091  10.456
  946   1HG2  THR 121          1HG2      THR 121  13.320  -2.756   8.004
  947   2HG2  THR 121          2HG2      THR 121  12.345  -1.512   7.213
  948   3HG2  THR 121          3HG2      THR 121  11.609  -3.045   7.688
  949    H    VAL 122           H        VAL 122  13.977  -0.677  10.348
  950    HA   VAL 122           HA       VAL 122  13.456   0.400  12.950
  951    HB   VAL 122           HB       VAL 122  16.131  -0.406  11.847
  952   1HG1  VAL 122          1HG1      VAL 122  16.014   0.790  14.043
  953   2HG1  VAL 122          2HG1      VAL 122  16.737  -0.816  14.124
  954   3HG1  VAL 122          3HG1      VAL 122  15.078  -0.567  14.669
  955   1HG2  VAL 122          1HG2      VAL 122  13.846  -2.097  12.774
  956   2HG2  VAL 122          2HG2      VAL 122  15.505  -2.640  13.027
  957   3HG2  VAL 122          3HG2      VAL 122  14.921  -2.319  11.394
  958    H    GLY 123           H        GLY 123  14.898   1.608  10.002
  959   1HA   GLY 123          2HA       GLY 123  15.732   4.032  11.463
  960   2HA   GLY 123          1HA       GLY 123  16.613   3.400  10.077
  961    H    CYS 124           H        CYS 124  13.189   3.231  10.149
  962    HA   CYS 124           HA       CYS 124  12.605   4.195   7.753
  963   1HB   CYS 124          1HB       CYS 124  10.518   5.309   9.062
  964   2HB   CYS 124          1HB       CYS 124  10.632   3.621   8.663
  965    H    GLU 125           H        GLU 125  13.813   5.640   6.971
  966    HA   GLU 125           HA       GLU 125  15.002   7.838   7.597
  967   1HB   GLU 125          1HB       GLU 125  14.229   8.832   5.328
  968   2HB   GLU 125          1HB       GLU 125  15.225   7.385   5.406
  969   1HG   GLU 125          1HG       GLU 125  13.481   5.988   4.773
  970   2HG   GLU 125          1HG       GLU 125  12.242   7.130   5.303
  971    H    GLU 126           H        GLU 126  12.143   8.942   5.919
  972    HA   GLU 126           HA       GLU 126  12.080  11.163   7.796
  973   1HB   GLU 126          1HB       GLU 126  11.714  10.890   4.967
  974   2HB   GLU 126          1HB       GLU 126  10.351  11.741   5.683
  975   1HG   GLU 126          1HG       GLU 126  11.937  13.302   6.752
  976   2HG   GLU 126          1HG       GLU 126  13.258  12.487   5.916
  Start of MODEL   20
    1   1H    CYS   1          1HT       CYS   1  -9.323  11.190   4.189
    2   2H    CYS   1          2HT       CYS   1  -8.916  12.676   4.935
    3   3H    CYS   1          3HT       CYS   1  -9.237  11.293   5.894
    4    HA   CYS   1           HA       CYS   1  -6.927  11.627   5.829
    5   1HB   CYS   1          1HB       CYS   1  -7.271   9.450   3.831
    6   2HB   CYS   1          1HB       CYS   1  -6.358   9.456   5.316
    7    H    THR   2           H        THR   2  -8.221  13.165   3.410
    8    HA   THR   2           HA       THR   2  -6.285  12.675   1.346
    9    HB   THR   2           HB       THR   2  -7.417  14.483   0.127
   10    HG1  THR   2          1HG       THR   2  -8.526  14.939   2.641
   11   1HG2  THR   2          1HG2      THR   2  -8.472  12.085   0.486
   12   2HG2  THR   2          2HG2      THR   2  -9.307  13.354  -0.401
   13   3HG2  THR   2          3HG2      THR   2  -9.724  13.032   1.281
   14    H    CYS   3           H        CYS   3  -4.457  13.089   2.819
   15    HA   CYS   3           HA       CYS   3  -3.884  15.952   3.133
   16   1HB   CYS   3          1HB       CYS   3  -2.779  15.478   5.054
   17   2HB   CYS   3          1HB       CYS   3  -3.776  14.046   5.036
   18    H    VAL   4           H        VAL   4  -1.188  15.983   3.286
   19    HA   VAL   4           HA       VAL   4  -0.441  15.305   0.544
   20    HB   VAL   4           HB       VAL   4   1.209  17.006   0.645
   21   1HG1  VAL   4          1HG1      VAL   4  -1.511  17.560   1.436
   22   2HG1  VAL   4          2HG1      VAL   4  -0.475  18.400   0.284
   23   3HG1  VAL   4          3HG1      VAL   4  -0.399  18.809   1.997
   24   1HG2  VAL   4          1HG2      VAL   4   1.707  18.254   2.724
   25   2HG2  VAL   4          2HG2      VAL   4   2.183  16.558   2.799
   26   3HG2  VAL   4          3HG2      VAL   4   0.716  17.100   3.615
   27    HA   PRO   5           HA       PRO   5   2.653  12.192   1.019
   28   1HB   PRO   5          1HB       PRO   5   4.677  14.395   0.764
   29   2HB   PRO   5          1HB       PRO   5   4.679  12.785   0.032
   30   1HG   PRO   5          1HG       PRO   5   3.895  14.922  -1.363
   31   2HG   PRO   5          1HG       PRO   5   3.091  13.354  -1.554
   32   1HD   PRO   5          1HD       PRO   5   2.107  15.821  -0.286
   33   2HD   PRO   5          1HD       PRO   5   1.193  14.456  -0.936
   34    HA   PRO   6           HA       PRO   6   3.698  12.971   5.355
   35   1HB   PRO   6          1HB       PRO   6   2.724  10.668   6.314
   36   2HB   PRO   6          1HB       PRO   6   1.678  12.016   5.863
   37   1HG   PRO   6          1HG       PRO   6   2.064   9.427   4.528
   38   2HG   PRO   6          1HG       PRO   6   0.729  10.579   4.379
   39   1HD   PRO   6          1HD       PRO   6   3.007  10.213   2.630
   40   2HD   PRO   6          1HD       PRO   6   1.592  11.262   2.408
   41    H    HIS   7           H        HIS   7   5.640  12.688   6.236
   42    HA   HIS   7           HA       HIS   7   7.762  11.524   5.403
   43   1HB   HIS   7          1HB       HIS   7   6.858  11.425   8.276
   44   2HB   HIS   7          1HB       HIS   7   8.512  11.173   7.736
   45    HD1  HIS   7          1HD       HIS   7   6.581  13.882   6.051
   46    HD2  HIS   7          2HD       HIS   7   9.280  13.473   9.181
   47    HE1  HIS   7          1HE       HIS   7   7.309  16.213   6.613
   48    HE2  HIS   7          2HE       HIS   7   8.896  15.950   8.549
   49    HA   PRO   8           HA       PRO   8   7.171   7.167   4.965
   50   1HB   PRO   8          1HB       PRO   8   9.669   6.571   4.246
   51   2HB   PRO   8          1HB       PRO   8   8.577   7.417   3.143
   52   1HG   PRO   8          1HG       PRO   8  10.606   8.576   5.015
   53   2HG   PRO   8          1HG       PRO   8  10.425   8.886   3.276
   54   1HD   PRO   8          1HD       PRO   8   9.382  10.582   5.067
   55   2HD   PRO   8          1HD       PRO   8   8.474  10.153   3.600
   56    H    GLN   9           H        GLN   9   9.308   8.872   7.087
   57    HA   GLN   9           HA       GLN   9  10.396   6.662   8.449
   58   1HB   GLN   9          1HB       GLN   9  10.843   8.298  10.228
   59   2HB   GLN   9          1HB       GLN   9  11.302   8.947   8.671
   60   1HG   GLN   9          1HG       GLN   9  10.186  10.759   9.310
   61   2HG   GLN   9          1HG       GLN   9   8.753   9.827   8.883
   62   1HE2  GLN   9          1HE2      GLN   9   9.631  11.877  11.054
   63   2HE2  GLN   9          2HE2      GLN   9   8.939  11.217  12.492
   64    H    THR  10           H        THR  10   7.344   8.452   8.552
   65    HA   THR  10           HA       THR  10   6.539   7.068  10.934
   66    HB   THR  10           HB       THR  10   5.814   9.528   9.454
   67    HG1  THR  10          1HG       THR  10   6.355   8.757  11.995
   68   1HG2  THR  10          1HG2      THR  10   3.626   9.377   9.379
   69   2HG2  THR  10          2HG2      THR  10   3.583   9.060  11.115
   70   3HG2  THR  10          3HG2      THR  10   3.693   7.718   9.978
   71    H    ALA  11           H        ALA  11   5.800   7.463   7.407
   72    HA   ALA  11           HA       ALA  11   3.546   5.833   7.263
   73   1HB   ALA  11          1HB       ALA  11   3.692   6.189   5.053
   74   2HB   ALA  11          2HB       ALA  11   5.431   5.896   5.004
   75   3HB   ALA  11          3HB       ALA  11   4.813   7.443   5.584
   76    H    PHE  12           H        PHE  12   6.994   5.006   7.277
   77    HA   PHE  12           HA       PHE  12   6.454   2.319   6.420
   78   1HB   PHE  12          1HB       PHE  12   8.704   3.732   6.237
   79   2HB   PHE  12          1HB       PHE  12   9.023   2.967   7.792
   80    HD1  PHE  12          1HD       PHE  12   9.747   0.756   7.915
   81    HD2  PHE  12          2HD       PHE  12   8.165   2.226   4.254
   82    HE1  PHE  12          1HE       PHE  12  10.471  -1.302   6.786
   83    HE2  PHE  12          2HE       PHE  12   8.881   0.164   3.116
   84    HZ   PHE  12           HZ       PHE  12  10.037  -1.602   4.382
   85    H    CYS  13           H        CYS  13   7.805   3.639   9.389
   86    HA   CYS  13           HA       CYS  13   7.493   1.270  10.860
   87   1HB   CYS  13          1HB       CYS  13   8.485   3.983  11.326
   88   2HB   CYS  13          1HB       CYS  13   7.870   3.167  12.759
   89    H    ASN  14           H        ASN  14   4.991   3.666  10.269
   90    HA   ASN  14           HA       ASN  14   3.826   2.905  12.825
   91   1HB   ASN  14          1HB       ASN  14   3.838   5.337  11.274
   92   2HB   ASN  14          1HB       ASN  14   2.187   4.779  11.487
   93   1HD2  ASN  14          1HD2      ASN  14   5.106   5.790  13.117
   94   2HD2  ASN  14          2HD2      ASN  14   4.356   6.192  14.621
   95    H    SER  15           H        SER  15   3.663   2.331   9.413
   96    HA   SER  15           HA       SER  15   0.968   1.737   9.223
   97   1HB   SER  15          1HB       SER  15   2.668   2.254   7.376
   98   2HB   SER  15          1HB       SER  15   3.070   0.542   7.454
   99    HG   SER  15           HG       SER  15   0.741   1.803   6.573
  100    H    ASP  16           H        ASP  16   0.741  -0.394   8.108
  101    HA   ASP  16           HA       ASP  16   1.527  -2.585   9.850
  102   1HB   ASP  16          1HB       ASP  16  -1.272  -1.747   9.540
  103   2HB   ASP  16          1HB       ASP  16  -0.957  -3.471   9.600
  104    H    LEU  17           H        LEU  17   1.329  -1.562   6.868
  105    HA   LEU  17           HA       LEU  17   2.055  -4.107   5.886
  106   1HB   LEU  17          1HB       LEU  17  -0.708  -3.417   5.475
  107   2HB   LEU  17          1HB       LEU  17   0.127  -3.596   3.942
  108    HG   LEU  17           HG       LEU  17   0.100  -5.666   6.140
  109   1HD1  LEU  17          1HD1      LEU  17  -1.355  -5.656   3.504
  110   2HD1  LEU  17          2HD1      LEU  17  -2.086  -5.318   5.064
  111   3HD1  LEU  17          3HD1      LEU  17  -1.412  -6.912   4.742
  112   1HD2  LEU  17          1HD2      LEU  17   1.195  -7.117   4.618
  113   2HD2  LEU  17          2HD2      LEU  17   2.107  -5.609   4.602
  114   3HD2  LEU  17          3HD2      LEU  17   1.000  -5.981   3.285
  115    H    VAL  18           H        VAL  18   3.751  -3.676   4.729
  116    HA   VAL  18           HA       VAL  18   3.667  -1.439   2.830
  117    HB   VAL  18           HB       VAL  18   6.143  -2.231   4.346
  118   1HG1  VAL  18          1HG1      VAL  18   6.208   0.452   3.505
  119   2HG1  VAL  18          2HG1      VAL  18   5.583  -0.489   2.151
  120   3HG1  VAL  18          3HG1      VAL  18   7.133  -0.912   2.877
  121   1HG2  VAL  18          1HG2      VAL  18   4.296  -1.339   5.855
  122   2HG2  VAL  18          2HG2      VAL  18   4.498   0.197   5.011
  123   3HG2  VAL  18          3HG2      VAL  18   5.846  -0.499   5.909
  124    H    ILE  19           H        ILE  19   3.809  -2.404   0.866
  125    HA   ILE  19           HA       ILE  19   5.899  -4.368   0.416
  126    HB   ILE  19           HB       ILE  19   4.461  -6.122  -0.287
  127   1HG1  ILE  19          1HG1      ILE  19   2.783  -4.738  -1.456
  128   2HG1  ILE  19          1HG1      ILE  19   2.025  -5.934  -0.411
  129   1HG2  ILE  19          1HG2      ILE  19   2.924  -5.191   2.093
  130   2HG2  ILE  19          2HG2      ILE  19   4.628  -5.586   2.251
  131   3HG2  ILE  19          3HG2      ILE  19   3.505  -6.800   1.691
  132   1HD1  ILE  19          1HD1      ILE  19   2.352  -3.001   0.134
  133   2HD1  ILE  19          2HD1      ILE  19   1.744  -4.161   1.307
  134   3HD1  ILE  19          3HD1      ILE  19   0.852  -3.866  -0.186
  135    H    ARG  20           H        ARG  20   6.056  -5.013  -1.733
  136    HA   ARG  20           HA       ARG  20   5.131  -2.979  -3.602
  137   1HB   ARG  20          1HB       ARG  20   6.949  -3.682  -5.104
  138   2HB   ARG  20          1HB       ARG  20   7.519  -3.080  -3.563
  139   1HG   ARG  20          1HG       ARG  20   7.253  -5.989  -4.233
  140   2HG   ARG  20          1HG       ARG  20   8.718  -5.050  -4.464
  141   1HD   ARG  20          1HD       ARG  20   7.554  -6.151  -2.009
  142   2HD   ARG  20          1HD       ARG  20   9.226  -5.837  -2.423
  143    HE   ARG  20           HE       ARG  20   7.600  -4.224  -0.814
  144   1HH1  ARG  20          1HH1      ARG  20   9.857  -3.913  -3.453
  145   2HH1  ARG  20          2HH1      ARG  20  10.384  -2.347  -2.970
  146   1HH2  ARG  20          1HH2      ARG  20   8.317  -2.163  -0.165
  147   2HH2  ARG  20          2HH2      ARG  20   9.524  -1.353  -1.095
  148    H    ALA  21           H        ALA  21   3.975  -3.380  -5.162
  149    HA   ALA  21           HA       ALA  21   3.445  -6.025  -6.255
  150   1HB   ALA  21          1HB       ALA  21   0.953  -5.869  -5.763
  151   2HB   ALA  21          2HB       ALA  21   1.406  -4.679  -4.541
  152   3HB   ALA  21          3HB       ALA  21   2.038  -6.318  -4.449
  153    H    LYS  22           H        LYS  22   1.514  -6.055  -7.630
  154    HA   LYS  22           HA       LYS  22   1.455  -3.767  -9.495
  155   1HB   LYS  22          1HB       LYS  22   1.589  -6.704  -9.788
  156   2HB   LYS  22          1HB       LYS  22   0.533  -5.898 -10.920
  157   1HG   LYS  22          1HG       LYS  22   2.285  -5.288 -12.152
  158   2HG   LYS  22          1HG       LYS  22   3.095  -4.589 -10.749
  159   1HD   LYS  22          1HD       LYS  22   4.504  -6.304 -10.653
  160   2HD   LYS  22          1HD       LYS  22   3.164  -7.435 -10.548
  161   1HE   LYS  22          1HE       LYS  22   3.269  -6.624 -13.202
  162   2HE   LYS  22          1HE       LYS  22   4.932  -6.929 -12.741
  163   1HZ   LYS  22          1HZ       LYS  22   2.701  -8.840 -12.309
  164   2HZ   LYS  22          2HZ       LYS  22   4.351  -9.135 -12.086
  165   3HZ   LYS  22          3HZ       LYS  22   3.739  -8.888 -13.644
  166    H    PHE  23           H        PHE  23  -0.642  -3.086 -10.206
  167    HA   PHE  23           HA       PHE  23  -2.888  -4.171  -8.646
  168   1HB   PHE  23          1HB       PHE  23  -2.773  -1.747 -10.468
  169   2HB   PHE  23          1HB       PHE  23  -4.131  -2.206  -9.449
  170    HD1  PHE  23          1HD       PHE  23  -3.878  -2.118  -6.971
  171    HD2  PHE  23          2HD       PHE  23  -0.965  -0.499  -9.617
  172    HE1  PHE  23          1HE       PHE  23  -2.956  -0.777  -5.128
  173    HE2  PHE  23          2HE       PHE  23  -0.039   0.847  -7.774
  174    HZ   PHE  23           HZ       PHE  23  -1.031   0.706  -5.528
  175    H    VAL  24           H        VAL  24  -4.019  -5.633  -9.389
  176    HA   VAL  24           HA       VAL  24  -4.493  -5.845 -12.250
  177    HB   VAL  24           HB       VAL  24  -4.275  -8.429 -11.475
  178   1HG1  VAL  24          1HG1      VAL  24  -1.700  -7.544 -12.312
  179   2HG1  VAL  24          2HG1      VAL  24  -2.935  -6.625 -13.173
  180   3HG1  VAL  24          3HG1      VAL  24  -2.931  -8.386 -13.253
  181   1HG2  VAL  24          1HG2      VAL  24  -3.476  -7.935  -9.304
  182   2HG2  VAL  24          2HG2      VAL  24  -2.197  -6.919  -9.967
  183   3HG2  VAL  24          3HG2      VAL  24  -2.191  -8.657 -10.258
  184    H    GLY  25           H        GLY  25  -6.377  -4.819 -10.611
  185   1HA   GLY  25          2HA       GLY  25  -8.614  -6.476 -11.091
  186   2HA   GLY  25          1HA       GLY  25  -8.258  -6.418  -9.378
  187    H    THR  26           H        THR  26 -10.649  -5.424 -10.386
  188    HA   THR  26           HA       THR  26 -10.327  -2.530 -10.489
  189    HB   THR  26           HB       THR  26 -11.652  -3.730 -12.205
  190    HG1  THR  26          1HG       THR  26 -13.096  -2.161 -12.313
  191   1HG2  THR  26          1HG2      THR  26 -13.085  -4.715  -9.846
  192   2HG2  THR  26          2HG2      THR  26 -12.885  -5.431 -11.445
  193   3HG2  THR  26          3HG2      THR  26 -14.098  -4.176 -11.185
  194    HA   PRO  27           HA       PRO  27 -11.837  -1.712  -6.443
  195   1HB   PRO  27          1HB       PRO  27 -12.991   0.692  -6.767
  196   2HB   PRO  27          1HB       PRO  27 -11.255   0.440  -6.867
  197   1HG   PRO  27          1HG       PRO  27 -13.248   0.690  -9.074
  198   2HG   PRO  27          1HG       PRO  27 -11.641   1.430  -8.935
  199   1HD   PRO  27          1HD       PRO  27 -12.123  -0.790 -10.413
  200   2HD   PRO  27          1HD       PRO  27 -10.566  -0.478  -9.628
  201    H    GLU  28           H        GLU  28 -13.390  -2.729  -5.445
  202    HA   GLU  28           HA       GLU  28 -16.117  -2.670  -6.512
  203   1HB   GLU  28          1HB       GLU  28 -14.587  -4.523  -4.919
  204   2HB   GLU  28          1HB       GLU  28 -16.096  -4.125  -4.105
  205   1HG   GLU  28          1HG       GLU  28 -17.299  -4.671  -6.208
  206   2HG   GLU  28          1HG       GLU  28 -15.766  -5.226  -6.882
  207    H    VAL  29           H        VAL  29 -17.355  -0.985  -5.940
  208    HA   VAL  29           HA       VAL  29 -16.865   0.249  -3.326
  209    HB   VAL  29           HB       VAL  29 -18.535   1.514  -5.443
  210   1HG1  VAL  29          1HG1      VAL  29 -18.745   2.907  -3.700
  211   2HG1  VAL  29          2HG1      VAL  29 -17.174   3.498  -4.242
  212   3HG1  VAL  29          3HG1      VAL  29 -17.271   2.332  -2.924
  213   1HG2  VAL  29          1HG2      VAL  29 -15.704   0.936  -5.618
  214   2HG2  VAL  29          2HG2      VAL  29 -16.023   2.670  -5.664
  215   3HG2  VAL  29          3HG2      VAL  29 -16.795   1.601  -6.833
  216    H    ASN  30           H        ASN  30 -18.217  -0.799  -1.791
  217    HA   ASN  30           HA       ASN  30 -20.999  -1.193  -2.440
  218   1HB   ASN  30          1HB       ASN  30 -19.490  -2.398  -0.594
  219   2HB   ASN  30          1HB       ASN  30 -20.157  -1.115   0.412
  220   1HD2  ASN  30          1HD2      ASN  30 -22.114  -1.384   1.258
  221   2HD2  ASN  30          2HD2      ASN  30 -23.246  -2.599   0.794
  222    H    GLN  31           H        GLN  31 -22.686  -0.197  -1.388
  223    HA   GLN  31           HA       GLN  31 -22.402   2.701  -1.197
  224   1HB   GLN  31          1HB       GLN  31 -24.889   0.996  -0.982
  225   2HB   GLN  31          1HB       GLN  31 -24.851   2.750  -1.162
  226   1HG   GLN  31          1HG       GLN  31 -23.646   0.920  -3.195
  227   2HG   GLN  31          1HG       GLN  31 -25.358   1.342  -3.219
  228   1HE2  GLN  31          1HE2      GLN  31 -22.098   2.608  -3.425
  229   2HE2  GLN  31          2HE2      GLN  31 -22.509   4.071  -4.245
  230    H    THR  32           H        THR  32 -22.226   0.108   0.854
  231    HA   THR  32           HA       THR  32 -22.790   1.780   3.181
  232    HB   THR  32           HB       THR  32 -24.251  -0.572   2.155
  233    HG1  THR  32          1HG       THR  32 -25.381   0.937   4.132
  234   1HG2  THR  32          1HG2      THR  32 -24.829  -1.664   4.084
  235   2HG2  THR  32          2HG2      THR  32 -24.233  -0.378   5.131
  236   3HG2  THR  32          3HG2      THR  32 -23.099  -1.439   4.300
  237    H    THR  33           H        THR  33 -20.303   1.052   2.070
  238    HA   THR  33           HA       THR  33 -19.305  -0.969   3.933
  239    HB   THR  33           HB       THR  33 -18.280  -1.556   1.979
  240    HG1  THR  33          1HG       THR  33 -16.257  -0.475   1.748
  241   1HG2  THR  33          1HG2      THR  33 -18.394  -0.477   0.025
  242   2HG2  THR  33          2HG2      THR  33 -17.638   0.955   0.705
  243   3HG2  THR  33          3HG2      THR  33 -19.365   0.713   0.879
  244    H    LEU  34           H        LEU  34 -18.595   2.173   2.430
  245    HA   LEU  34           HA       LEU  34 -17.820   4.070   3.578
  246   1HB   LEU  34          1HB       LEU  34 -17.533   2.134   5.761
  247   2HB   LEU  34          1HB       LEU  34 -16.250   3.283   5.636
  248    HG   LEU  34           HG       LEU  34 -19.181   3.915   5.921
  249   1HD1  LEU  34          1HD1      LEU  34 -17.148   3.300   7.843
  250   2HD1  LEU  34          2HD1      LEU  34 -18.850   3.684   8.105
  251   3HD1  LEU  34          3HD1      LEU  34 -17.656   4.980   8.032
  252   1HD2  LEU  34          1HD2      LEU  34 -17.161   6.013   6.346
  253   2HD2  LEU  34          2HD2      LEU  34 -18.730   6.095   5.547
  254   3HD2  LEU  34          3HD2      LEU  34 -17.326   5.472   4.670
  255    H    TYR  35           H        TYR  35 -16.524   1.170   2.664
  256    HA   TYR  35           HA       TYR  35 -14.062   2.382   1.703
  257   1HB   TYR  35          1HB       TYR  35 -12.955   0.074   2.237
  258   2HB   TYR  35          1HB       TYR  35 -13.008   1.358   3.423
  259    HD1  TYR  35          1HD       TYR  35 -13.943  -2.002   2.680
  260    HD2  TYR  35          2HD       TYR  35 -14.754   1.339   5.165
  261    HE1  TYR  35          1HE       TYR  35 -15.045  -3.487   4.313
  262    HE2  TYR  35          2HE       TYR  35 -15.843  -0.101   6.791
  263    HH   TYR  35           HH       TYR  35 -17.070  -2.550   6.594
  264    H    GLN  36           H        GLN  36 -12.827   0.876   0.246
  265    HA   GLN  36           HA       GLN  36 -14.651  -0.708  -1.399
  266   1HB   GLN  36          1HB       GLN  36 -12.822   1.551  -2.205
  267   2HB   GLN  36          1HB       GLN  36 -13.552   0.441  -3.360
  268   1HG   GLN  36          1HG       GLN  36 -15.579   1.410  -3.183
  269   2HG   GLN  36          1HG       GLN  36 -15.350   1.844  -1.491
  270   1HE2  GLN  36          1HE2      GLN  36 -14.359   2.652  -4.783
  271   2HE2  GLN  36          2HE2      GLN  36 -14.090   4.333  -4.485
  272    H    ARG  37           H        ARG  37 -13.420  -2.235  -2.770
  273    HA   ARG  37           HA       ARG  37 -10.662  -2.548  -1.809
  274   1HB   ARG  37          1HB       ARG  37 -10.921  -4.996  -1.999
  275   2HB   ARG  37          1HB       ARG  37 -11.950  -4.276  -0.771
  276   1HG   ARG  37          1HG       ARG  37 -13.882  -4.547  -2.092
  277   2HG   ARG  37          1HG       ARG  37 -12.930  -4.922  -3.533
  278   1HD   ARG  37          1HD       ARG  37 -12.438  -6.671  -1.223
  279   2HD   ARG  37          1HD       ARG  37 -14.061  -6.778  -1.905
  280    HE   ARG  37           HE       ARG  37 -11.877  -6.934  -3.805
  281   1HH1  ARG  37          1HH1      ARG  37 -14.131  -8.687  -1.795
  282   2HH1  ARG  37          2HH1      ARG  37 -14.019 -10.141  -2.727
  283   1HH2  ARG  37          1HH2      ARG  37 -11.728  -8.845  -5.026
  284   2HH2  ARG  37          2HH2      ARG  37 -12.654 -10.233  -4.560
  285    H    TYR  38           H        TYR  38  -9.230  -3.621  -3.168
  286    HA   TYR  38           HA       TYR  38  -9.866  -3.636  -6.037
  287   1HB   TYR  38          1HB       TYR  38  -7.337  -2.427  -4.882
  288   2HB   TYR  38          1HB       TYR  38  -7.715  -2.585  -6.583
  289    HD1  TYR  38          1HD       TYR  38  -9.165  -0.996  -3.499
  290    HD2  TYR  38          2HD       TYR  38  -8.441  -0.697  -7.680
  291    HE1  TYR  38          1HE       TYR  38 -10.055   1.297  -3.492
  292    HE2  TYR  38          2HE       TYR  38  -9.327   1.583  -7.685
  293    HH   TYR  38           HH       TYR  38 -10.219   3.220  -6.481
  294    H    GLU  39           H        GLU  39  -8.505  -5.108  -7.238
  295    HA   GLU  39           HA       GLU  39  -7.226  -7.106  -5.527
  296   1HB   GLU  39          1HB       GLU  39  -7.969  -7.354  -8.444
  297   2HB   GLU  39          1HB       GLU  39  -7.467  -8.643  -7.386
  298   1HG   GLU  39          1HG       GLU  39  -9.569  -8.081  -6.021
  299   2HG   GLU  39          1HG       GLU  39 -10.073  -7.163  -7.436
  300    H    ILE  40           H        ILE  40  -5.092  -7.616  -5.738
  301    HA   ILE  40           HA       ILE  40  -3.599  -6.070  -7.745
  302    HB   ILE  40           HB       ILE  40  -1.760  -6.092  -5.883
  303   1HG1  ILE  40          1HG1      ILE  40  -4.152  -5.969  -4.089
  304   2HG1  ILE  40          1HG1      ILE  40  -3.366  -7.508  -4.433
  305   1HG2  ILE  40          1HG2      ILE  40  -2.617  -3.909  -5.053
  306   2HG2  ILE  40          2HG2      ILE  40  -4.147  -4.247  -5.860
  307   3HG2  ILE  40          3HG2      ILE  40  -2.674  -4.059  -6.807
  308   1HD1  ILE  40          1HD1      ILE  40  -2.691  -5.741  -2.441
  309   2HD1  ILE  40          2HD1      ILE  40  -1.478  -5.441  -3.685
  310   3HD1  ILE  40          3HD1      ILE  40  -1.696  -7.068  -3.040
  311    H    LYS  41           H        LYS  41  -1.219  -6.766  -7.642
  312    HA   LYS  41           HA       LYS  41  -1.054  -9.679  -7.754
  313   1HB   LYS  41          1HB       LYS  41  -0.442  -7.817  -9.821
  314   2HB   LYS  41          1HB       LYS  41   1.079  -8.449  -9.216
  315   1HG   LYS  41          1HG       LYS  41  -1.183 -10.259  -9.983
  316   2HG   LYS  41          1HG       LYS  41   0.006  -9.685 -11.154
  317   1HD   LYS  41          1HD       LYS  41   0.696 -11.151  -8.605
  318   2HD   LYS  41          1HD       LYS  41   0.522 -11.925 -10.181
  319   1HE   LYS  41          1HE       LYS  41   2.233  -9.780 -10.632
  320   2HE   LYS  41          1HE       LYS  41   2.753 -10.447  -9.084
  321   1HZ   LYS  41          1HZ       LYS  41   2.672 -11.751 -11.726
  322   2HZ   LYS  41          2HZ       LYS  41   2.633 -12.684 -10.315
  323   3HZ   LYS  41          3HZ       LYS  41   3.949 -11.665 -10.620
  324    H    MET  42           H        MET  42  -0.521  -9.472  -5.445
  325    HA   MET  42           HA       MET  42   1.405  -7.821  -4.420
  326   1HB   MET  42          1HB       MET  42  -0.134  -9.251  -3.110
  327   2HB   MET  42          1HB       MET  42   0.865 -10.639  -3.522
  328   1HG   MET  42          1HG       MET  42   2.358  -8.406  -2.382
  329   2HG   MET  42          1HG       MET  42   1.149  -9.093  -1.309
  330   1HE   MET  42          1HE       MET  42   2.177 -12.896  -1.425
  331   2HE   MET  42          2HE       MET  42   0.936 -11.956  -2.252
  332   3HE   MET  42          3HE       MET  42   1.184 -11.754  -0.518
  333    H    THR  43           H        THR  43   3.491  -7.550  -4.952
  334    HA   THR  43           HA       THR  43   4.862  -9.660  -6.324
  335    HB   THR  43           HB       THR  43   6.108  -7.071  -5.440
  336    HG1  THR  43          1HG       THR  43   4.614  -7.568  -7.796
  337   1HG2  THR  43          1HG2      THR  43   7.404  -7.343  -7.515
  338   2HG2  THR  43          2HG2      THR  43   6.641  -8.915  -7.755
  339   3HG2  THR  43          3HG2      THR  43   7.680  -8.644  -6.356
  340    H    LYS  44           H        LYS  44   5.731  -7.710  -3.445
  341    HA   LYS  44           HA       LYS  44   6.587 -10.051  -2.018
  342   1HB   LYS  44          1HB       LYS  44   8.558  -7.856  -2.712
  343   2HB   LYS  44          1HB       LYS  44   8.853  -9.159  -1.569
  344   1HG   LYS  44          1HG       LYS  44   8.681 -10.792  -3.356
  345   2HG   LYS  44          1HG       LYS  44   8.326  -9.507  -4.512
  346   1HD   LYS  44          1HD       LYS  44  10.617  -8.563  -3.475
  347   2HD   LYS  44          1HD       LYS  44  10.891 -10.295  -3.271
  348   1HE   LYS  44          1HE       LYS  44   9.801  -9.696  -5.882
  349   2HE   LYS  44          1HE       LYS  44  11.285  -8.792  -5.583
  350   1HZ   LYS  44          1HZ       LYS  44  11.457 -11.122  -6.593
  351   2HZ   LYS  44          2HZ       LYS  44  11.144 -11.687  -5.030
  352   3HZ   LYS  44          3HZ       LYS  44  12.505 -10.728  -5.325
  353    H    MET  45           H        MET  45   6.641  -9.631   0.216
  354    HA   MET  45           HA       MET  45   5.391  -7.110   0.978
  355   1HB   MET  45          1HB       MET  45   4.753  -8.207   3.041
  356   2HB   MET  45          1HB       MET  45   4.319  -9.214   1.676
  357   1HG   MET  45          1HG       MET  45   6.872  -9.645   3.139
  358   2HG   MET  45          1HG       MET  45   5.356 -10.311   3.736
  359   1HE   MET  45          1HE       MET  45   4.044 -12.594   1.488
  360   2HE   MET  45          2HE       MET  45   4.386 -11.593   0.083
  361   3HE   MET  45          3HE       MET  45   3.765 -10.860   1.558
  362    H    TYR  46           H        TYR  46   6.391  -5.578   2.287
  363    HA   TYR  46           HA       TYR  46   9.086  -6.219   3.254
  364   1HB   TYR  46          1HB       TYR  46   7.982  -3.765   1.911
  365   2HB   TYR  46          1HB       TYR  46   9.368  -3.643   2.986
  366    HD1  TYR  46          1HD       TYR  46   8.992  -6.628   0.903
  367    HD2  TYR  46          2HD       TYR  46  10.763  -2.764   1.141
  368    HE1  TYR  46          1HE       TYR  46  10.483  -7.204  -0.954
  369    HE2  TYR  46          2HE       TYR  46  12.256  -3.336  -0.717
  370    HH   TYR  46           HH       TYR  46  12.893  -4.893  -2.165
  371    H    LYS  47           H        LYS  47   6.266  -6.173   4.497
  372    HA   LYS  47           HA       LYS  47   6.854  -5.498   7.076
  373   1HB   LYS  47          1HB       LYS  47   6.822  -3.122   5.872
  374   2HB   LYS  47          1HB       LYS  47   5.090  -3.295   6.121
  375   1HG   LYS  47          1HG       LYS  47   6.836  -3.843   8.442
  376   2HG   LYS  47          1HG       LYS  47   6.699  -2.165   7.913
  377   1HD   LYS  47          1HD       LYS  47   4.407  -2.095   8.328
  378   2HD   LYS  47          1HD       LYS  47   4.253  -3.854   8.309
  379   1HE   LYS  47          1HE       LYS  47   5.897  -2.463  10.395
  380   2HE   LYS  47          1HE       LYS  47   4.151  -2.626  10.575
  381   1HZ   LYS  47          1HZ       LYS  47   4.297  -4.914  10.728
  382   2HZ   LYS  47          2HZ       LYS  47   5.675  -4.417  11.573
  383   3HZ   LYS  47          3HZ       LYS  47   5.817  -4.987   9.987
  384    H    GLY  48           H        GLY  48   5.531  -6.974   7.883
  385   1HA   GLY  48          2HA       GLY  48   2.861  -6.843   8.303
  386   2HA   GLY  48          1HA       GLY  48   2.955  -7.551   6.694
  387    H    PHE  49           H        PHE  49   5.694  -8.614   8.184
  388    HA   PHE  49           HA       PHE  49   4.563 -11.184   8.709
  389   1HB   PHE  49          1HB       PHE  49   7.348 -10.188   9.296
  390   2HB   PHE  49          1HB       PHE  49   6.840 -11.864   9.296
  391    HD1  PHE  49          1HD       PHE  49   7.239  -8.896   7.097
  392    HD2  PHE  49          2HD       PHE  49   7.003 -13.136   7.365
  393    HE1  PHE  49          1HE       PHE  49   7.903  -9.080   4.738
  394    HE2  PHE  49          2HE       PHE  49   7.663 -13.328   5.005
  395    HZ   PHE  49           HZ       PHE  49   8.116 -11.298   3.688
  396    H    GLN  50           H        GLN  50   4.126  -8.549  10.244
  397    HA   GLN  50           HA       GLN  50   4.629  -9.545  12.950
  398   1HB   GLN  50          1HB       GLN  50   4.774  -6.944  11.937
  399   2HB   GLN  50          1HB       GLN  50   3.200  -6.992  12.723
  400   1HG   GLN  50          1HG       GLN  50   4.248  -7.718  14.799
  401   2HG   GLN  50          1HG       GLN  50   5.825  -7.708  14.014
  402   1HE2  GLN  50          1HE2      GLN  50   6.926  -5.832  13.835
  403   2HE2  GLN  50          2HE2      GLN  50   6.364  -4.313  14.438
  404    H    ALA  51           H        ALA  51   2.113  -7.975  10.989
  405    HA   ALA  51           HA       ALA  51  -0.119  -8.940  12.340
  406   1HB   ALA  51          1HB       ALA  51  -0.010  -8.542   9.367
  407   2HB   ALA  51          2HB       ALA  51  -0.044  -7.196  10.505
  408   3HB   ALA  51          3HB       ALA  51  -1.391  -8.333  10.444
  409    H    LEU  52           H        LEU  52   1.787 -10.357   9.699
  410    HA   LEU  52           HA       LEU  52   0.640 -12.990  10.322
  411   1HB   LEU  52          1HB       LEU  52  -0.659 -12.157   8.490
  412   2HB   LEU  52          1HB       LEU  52   0.770 -11.641   7.629
  413    HG   LEU  52           HG       LEU  52  -0.645 -13.868   7.075
  414   1HD1  LEU  52          1HD1      LEU  52   0.906 -14.222   5.464
  415   2HD1  LEU  52          2HD1      LEU  52   2.251 -13.980   6.568
  416   3HD1  LEU  52          3HD1      LEU  52   1.363 -12.603   5.974
  417   1HD2  LEU  52          1HD2      LEU  52   1.529 -15.461   7.878
  418   2HD2  LEU  52          2HD2      LEU  52  -0.160 -15.607   8.352
  419   3HD2  LEU  52          3HD2      LEU  52   0.943 -14.638   9.319
  420    H    GLY  53           H        GLY  53   2.667 -12.297   7.525
  421   1HA   GLY  53          2HA       GLY  53   4.966 -12.443   7.311
  422   2HA   GLY  53          1HA       GLY  53   5.082 -13.019   8.954
  423    H    ASP  54           H        ASP  54   3.113 -14.408   6.481
  424    HA   ASP  54           HA       ASP  54   4.644 -16.876   6.558
  425   1HB   ASP  54          1HB       ASP  54   1.781 -16.209   6.047
  426   2HB   ASP  54          1HB       ASP  54   2.454 -17.638   5.274
  427    H    ALA  55           H        ALA  55   2.476 -15.899   4.046
  428    HA   ALA  55           HA       ALA  55   4.654 -15.294   2.225
  429   1HB   ALA  55          1HB       ALA  55   4.527 -17.108   0.930
  430   2HB   ALA  55          2HB       ALA  55   2.773 -17.218   1.082
  431   3HB   ALA  55          3HB       ALA  55   3.812 -17.861   2.354
  432    H    ALA  56           H        ALA  56   1.215 -15.544   2.857
  433    HA   ALA  56           HA       ALA  56   0.740 -13.516   0.744
  434   1HB   ALA  56          1HB       ALA  56  -0.847 -15.907   1.556
  435   2HB   ALA  56          2HB       ALA  56  -0.432 -15.320  -0.054
  436   3HB   ALA  56          3HB       ALA  56  -1.678 -14.502   0.888
  437    H    ASP  57           H        ASP  57   1.288 -11.959   2.475
  438    HA   ASP  57           HA       ASP  57  -0.942 -11.537   4.338
  439   1HB   ASP  57          1HB       ASP  57   0.560  -9.771   5.328
  440   2HB   ASP  57          1HB       ASP  57   1.161 -11.412   5.455
  441    H    ILE  58           H        ILE  58  -0.514 -10.874   1.281
  442    HA   ILE  58           HA       ILE  58  -1.981  -8.356   1.391
  443    HB   ILE  58           HB       ILE  58   0.288  -8.484  -0.536
  444   1HG1  ILE  58          1HG1      ILE  58   1.152  -6.865   1.599
  445   2HG1  ILE  58          1HG1      ILE  58   0.658  -8.400   2.302
  446   1HG2  ILE  58          1HG2      ILE  58  -1.401  -6.360   0.689
  447   2HG2  ILE  58          2HG2      ILE  58  -1.117  -6.719  -1.013
  448   3HG2  ILE  58          3HG2      ILE  58   0.148  -5.958  -0.049
  449   1HD1  ILE  58          1HD1      ILE  58   2.634  -8.018   0.086
  450   2HD1  ILE  58          2HD1      ILE  58   2.082  -9.576   0.703
  451   3HD1  ILE  58          3HD1      ILE  58   2.967  -8.478   1.750
  452    H    ARG  59           H        ARG  59  -3.563  -8.452  -0.084
  453    HA   ARG  59           HA       ARG  59  -3.069  -9.838  -2.573
  454   1HB   ARG  59          1HB       ARG  59  -5.166 -10.850  -0.662
  455   2HB   ARG  59          1HB       ARG  59  -5.136 -11.264  -2.370
  456   1HG   ARG  59          1HG       ARG  59  -2.564 -11.793  -1.512
  457   2HG   ARG  59          1HG       ARG  59  -3.582 -12.328  -0.176
  458   1HD   ARG  59          1HD       ARG  59  -3.904 -14.199  -1.324
  459   2HD   ARG  59          1HD       ARG  59  -4.882 -13.249  -2.440
  460    HE   ARG  59           HE       ARG  59  -2.109 -14.098  -2.825
  461   1HH1  ARG  59          1HH1      ARG  59  -4.903 -12.395  -4.062
  462   2HH1  ARG  59          2HH1      ARG  59  -4.315 -12.373  -5.690
  463   1HH2  ARG  59          1HH2      ARG  59  -1.341 -14.053  -4.958
  464   2HH2  ARG  59          2HH2      ARG  59  -2.297 -13.312  -6.200
  465    H    PHE  60           H        PHE  60  -5.162  -7.860  -0.687
  466    HA   PHE  60           HA       PHE  60  -6.084  -6.424  -2.996
  467   1HB   PHE  60          1HB       PHE  60  -8.009  -7.498  -0.927
  468   2HB   PHE  60          1HB       PHE  60  -8.409  -6.632  -2.404
  469    HD1  PHE  60          1HD       PHE  60  -8.562  -7.756  -4.480
  470    HD2  PHE  60          2HD       PHE  60  -7.272  -9.852  -1.014
  471    HE1  PHE  60          1HE       PHE  60  -8.850  -9.889  -5.667
  472    HE2  PHE  60          2HE       PHE  60  -7.564 -11.995  -2.196
  473    HZ   PHE  60           HZ       PHE  60  -8.358 -12.011  -4.529
  474    H    VAL  61           H        VAL  61  -6.797  -4.453  -2.510
  475    HA   VAL  61           HA       VAL  61  -5.828  -3.468   0.076
  476    HB   VAL  61           HB       VAL  61  -5.038  -1.612  -1.007
  477   1HG1  VAL  61          1HG1      VAL  61  -4.783  -3.430  -3.327
  478   2HG1  VAL  61          2HG1      VAL  61  -4.042  -3.843  -1.783
  479   3HG1  VAL  61          3HG1      VAL  61  -3.578  -2.359  -2.613
  480   1HG2  VAL  61          1HG2      VAL  61  -5.727  -1.072  -3.426
  481   2HG2  VAL  61          2HG2      VAL  61  -6.853  -0.690  -2.122
  482   3HG2  VAL  61          3HG2      VAL  61  -7.087  -2.143  -3.089
  483    H    TYR  62           H        TYR  62  -7.282  -2.693   1.439
  484    HA   TYR  62           HA       TYR  62  -9.889  -1.884   0.446
  485   1HB   TYR  62          1HB       TYR  62  -9.021  -2.674   3.221
  486   2HB   TYR  62          1HB       TYR  62 -10.667  -2.285   2.740
  487    HD1  TYR  62          1HD       TYR  62  -7.940  -4.506   1.371
  488    HD2  TYR  62          2HD       TYR  62 -12.011  -4.116   2.569
  489    HE1  TYR  62          1HE       TYR  62  -8.338  -6.834   0.751
  490    HE2  TYR  62          2HE       TYR  62 -12.419  -6.454   1.938
  491    HH   TYR  62           HH       TYR  62 -10.538  -8.668   1.692
  492    H    THR  63           H        THR  63  -9.976   0.182   0.061
  493    HA   THR  63           HA       THR  63  -9.046   2.094   2.111
  494    HB   THR  63           HB       THR  63  -7.860   2.578   0.115
  495    HG1  THR  63          1HG       THR  63 -10.117   4.285   0.252
  496   1HG2  THR  63          1HG2      THR  63 -10.453   2.062  -1.241
  497   2HG2  THR  63          2HG2      THR  63  -8.834   1.490  -1.648
  498   3HG2  THR  63          3HG2      THR  63  -9.289   3.162  -1.980
  499    HA   PRO  64           HA       PRO  64 -13.270   3.020   3.157
  500   1HB   PRO  64          1HB       PRO  64 -12.161   5.770   3.417
  501   2HB   PRO  64          1HB       PRO  64 -13.162   4.832   4.533
  502   1HG   PRO  64          1HG       PRO  64 -10.560   5.120   4.970
  503   2HG   PRO  64          1HG       PRO  64 -11.375   3.578   5.295
  504   1HD   PRO  64          1HD       PRO  64  -9.567   4.331   3.052
  505   2HD   PRO  64          1HD       PRO  64  -9.772   2.766   3.864
  506    H    ALA  65           H        ALA  65 -15.028   3.737   2.181
  507    HA   ALA  65           HA       ALA  65 -14.886   5.167  -0.296
  508   1HB   ALA  65          1HB       ALA  65 -16.792   3.173   0.795
  509   2HB   ALA  65          2HB       ALA  65 -15.892   3.134  -0.715
  510   3HB   ALA  65          3HB       ALA  65 -17.264   4.221  -0.541
  511    H    MET  66           H        MET  66 -14.692   7.157   1.080
  512    HA   MET  66           HA       MET  66 -17.352   8.289   1.426
  513   1HB   MET  66          1HB       MET  66 -15.601   7.609   3.605
  514   2HB   MET  66          1HB       MET  66 -15.863   9.348   3.557
  515   1HG   MET  66          1HG       MET  66 -18.209   7.542   3.314
  516   2HG   MET  66          1HG       MET  66 -17.457   7.761   4.891
  517   1HE   MET  66          1HE       MET  66 -19.892  10.286   5.990
  518   2HE   MET  66          2HE       MET  66 -18.870   8.886   6.318
  519   3HE   MET  66          3HE       MET  66 -20.298   8.716   5.298
  520    H    GLU  67           H        GLU  67 -17.117  10.721   1.923
  521    HA   GLU  67           HA       GLU  67 -15.418  11.802  -0.138
  522   1HB   GLU  67          1HB       GLU  67 -16.512  14.006   1.078
  523   2HB   GLU  67          1HB       GLU  67 -17.208  13.146  -0.283
  524   1HG   GLU  67          1HG       GLU  67 -18.308  11.706   1.644
  525   2HG   GLU  67          1HG       GLU  67 -18.030  13.181   2.567
  526    H    SER  68           H        SER  68 -15.873  12.736   3.290
  527    HA   SER  68           HA       SER  68 -13.395  14.139   3.399
  528   1HB   SER  68          1HB       SER  68 -15.653  13.660   5.163
  529   2HB   SER  68          1HB       SER  68 -14.123  13.588   6.035
  530    HG   SER  68           HG       SER  68 -14.183  15.680   4.305
  531    H    VAL  69           H        VAL  69 -14.075  10.870   3.483
  532    HA   VAL  69           HA       VAL  69 -12.157   9.909   5.341
  533    HB   VAL  69           HB       VAL  69 -14.199   8.793   4.116
  534   1HG1  VAL  69          1HG1      VAL  69 -13.611   8.676   1.902
  535   2HG1  VAL  69          2HG1      VAL  69 -13.268   7.055   2.483
  536   3HG1  VAL  69          3HG1      VAL  69 -11.962   8.200   2.243
  537   1HG2  VAL  69          1HG2      VAL  69 -13.081   7.829   5.988
  538   2HG2  VAL  69          2HG2      VAL  69 -11.751   7.294   4.964
  539   3HG2  VAL  69          3HG2      VAL  69 -13.360   6.606   4.758
  540    H    CYS  70           H        CYS  70 -10.893   8.023   3.558
  541    HA   CYS  70           HA       CYS  70  -8.759   9.710   2.553
  542   1HB   CYS  70          1HB       CYS  70  -8.664   6.758   2.257
  543   2HB   CYS  70          1HB       CYS  70  -7.401   7.861   2.759
  544    H    GLY  71           H        GLY  71 -10.282   6.802   1.519
  545   1HA   GLY  71          2HA       GLY  71 -11.234   6.225  -0.536
  546   2HA   GLY  71          1HA       GLY  71 -11.455   7.951  -0.835
  547    H    TYR  72           H        TYR  72  -9.006   5.478  -0.649
  548    HA   TYR  72           HA       TYR  72  -7.015   6.875  -2.076
  549   1HB   TYR  72          1HB       TYR  72  -6.412   5.096  -0.570
  550   2HB   TYR  72          1HB       TYR  72  -7.391   3.947  -1.473
  551    HD1  TYR  72          1HD       TYR  72  -4.312   5.990  -1.582
  552    HD2  TYR  72          2HD       TYR  72  -6.520   2.818  -3.359
  553    HE1  TYR  72          1HE       TYR  72  -2.333   5.360  -2.901
  554    HE2  TYR  72          2HE       TYR  72  -4.552   2.179  -4.682
  555    HH   TYR  72           HH       TYR  72  -2.386   2.547  -5.068
  556    H    PHE  73           H        PHE  73  -7.788   7.692  -3.892
  557    HA   PHE  73           HA       PHE  73  -9.167   6.192  -5.851
  558   1HB   PHE  73          1HB       PHE  73  -8.083   8.918  -5.631
  559   2HB   PHE  73          1HB       PHE  73  -8.079   8.265  -7.263
  560    HD1  PHE  73          1HD       PHE  73  -9.846   8.830  -8.541
  561    HD2  PHE  73          2HD       PHE  73 -10.468   8.345  -4.356
  562    HE1  PHE  73          1HE       PHE  73 -12.207   9.430  -8.833
  563    HE2  PHE  73          2HE       PHE  73 -12.842   8.945  -4.643
  564    HZ   PHE  73           HZ       PHE  73 -13.714   9.489  -6.883
  565    H    HIS  74           H        HIS  74  -8.323   4.565  -6.772
  566    HA   HIS  74           HA       HIS  74  -5.514   4.739  -7.598
  567   1HB   HIS  74          1HB       HIS  74  -5.560   3.007  -6.137
  568   2HB   HIS  74          1HB       HIS  74  -7.185   2.515  -6.566
  569    HD1  HIS  74          1HD       HIS  74  -7.005   0.216  -7.499
  570    HD2  HIS  74          2HD       HIS  74  -3.859   2.589  -8.759
  571    HE1  HIS  74          1HE       HIS  74  -5.697  -1.220  -9.078
  572    HE2  HIS  74          2HE       HIS  74  -3.847   0.273  -9.912
  573    H    ARG  75           H        ARG  75  -5.087   4.994  -9.531
  574    HA   ARG  75           HA       ARG  75  -6.778   3.849 -11.643
  575   1HB   ARG  75          1HB       ARG  75  -5.562   6.509 -12.177
  576   2HB   ARG  75          1HB       ARG  75  -7.043   5.805 -12.808
  577   1HG   ARG  75          1HG       ARG  75  -8.295   6.771 -11.238
  578   2HG   ARG  75          1HG       ARG  75  -7.175   6.340  -9.946
  579   1HD   ARG  75          1HD       ARG  75  -5.920   8.301 -11.551
  580   2HD   ARG  75          1HD       ARG  75  -7.560   8.858 -11.211
  581    HE   ARG  75           HE       ARG  75  -5.679   8.037  -9.091
  582   1HH1  ARG  75          1HH1      ARG  75  -8.063  10.268 -10.355
  583   2HH1  ARG  75          2HH1      ARG  75  -8.058  11.259  -8.938
  584   1HH2  ARG  75          1HH2      ARG  75  -5.684   9.347  -7.235
  585   2HH2  ARG  75          2HH2      ARG  75  -6.712  10.740  -7.170
  586    H    SER  76           H        SER  76  -5.194   2.236 -11.839
  587    HA   SER  76           HA       SER  76  -3.096   2.975 -13.646
  588   1HB   SER  76          1HB       SER  76  -2.362   1.745 -10.970
  589   2HB   SER  76          1HB       SER  76  -1.261   1.939 -12.331
  590    HG   SER  76           HG       SER  76  -2.285   4.302 -11.962
  591    H    HIS  77           H        HIS  77  -4.681   1.645 -14.801
  592    HA   HIS  77           HA       HIS  77  -5.272  -1.010 -14.263
  593   1HB   HIS  77          1HB       HIS  77  -5.803  -1.189 -16.691
  594   2HB   HIS  77          1HB       HIS  77  -6.547   0.188 -15.889
  595    HD1  HIS  77          1HD       HIS  77  -4.598   2.405 -16.136
  596    HD2  HIS  77          2HD       HIS  77  -5.082  -0.409 -19.152
  597    HE1  HIS  77          1HE       HIS  77  -3.750   3.509 -18.222
  598    HE2  HIS  77          2HE       HIS  77  -4.191   1.842 -20.057
  599    H    ASN  78           H        ASN  78  -2.229   0.106 -14.809
  600    HA   ASN  78           HA       ASN  78  -1.169  -1.761 -16.611
  601   1HB   ASN  78          1HB       ASN  78  -0.115   0.379 -15.448
  602   2HB   ASN  78          1HB       ASN  78   0.503  -0.832 -14.329
  603   1HD2  ASN  78          1HD2      ASN  78   1.085   0.791 -17.151
  604   2HD2  ASN  78          2HD2      ASN  78   2.292  -0.245 -17.823
  605    H    ARG  79           H        ARG  79  -1.507  -3.879 -16.374
  606    HA   ARG  79           HA       ARG  79  -1.799  -5.192 -13.908
  607   1HB   ARG  79          1HB       ARG  79  -1.456  -6.118 -16.743
  608   2HB   ARG  79          1HB       ARG  79  -1.529  -7.274 -15.420
  609   1HG   ARG  79          1HG       ARG  79  -3.742  -6.964 -15.094
  610   2HG   ARG  79          1HG       ARG  79  -3.672  -5.247 -15.491
  611   1HD   ARG  79          1HD       ARG  79  -4.594  -5.770 -17.447
  612   2HD   ARG  79          1HD       ARG  79  -3.062  -6.527 -17.878
  613    HE   ARG  79           HE       ARG  79  -4.219  -8.541 -16.637
  614   1HH1  ARG  79          1HH1      ARG  79  -5.632  -6.298 -18.918
  615   2HH1  ARG  79          2HH1      ARG  79  -6.790  -7.441 -19.507
  616   1HH2  ARG  79          1HH2      ARG  79  -5.742 -10.037 -17.421
  617   2HH2  ARG  79          2HH2      ARG  79  -6.853  -9.560 -18.660
  618    H    SER  80           H        SER  80   1.014  -4.589 -15.891
  619    HA   SER  80           HA       SER  80   2.558  -6.372 -14.155
  620   1HB   SER  80          1HB       SER  80   4.340  -6.165 -15.915
  621   2HB   SER  80          1HB       SER  80   2.876  -7.021 -16.396
  622    HG   SER  80           HG       SER  80   2.292  -5.352 -17.653
  623    H    GLU  81           H        GLU  81   1.782  -3.248 -14.034
  624    HA   GLU  81           HA       GLU  81   4.507  -2.269 -13.654
  625   1HB   GLU  81          1HB       GLU  81   2.400  -0.917 -14.503
  626   2HB   GLU  81          1HB       GLU  81   2.166  -0.641 -12.787
  627   1HG   GLU  81          1HG       GLU  81   4.726  -0.055 -14.251
  628   2HG   GLU  81          1HG       GLU  81   3.450   1.134 -13.996
  629    H    GLU  82           H        GLU  82   5.547  -2.487 -11.842
  630    HA   GLU  82           HA       GLU  82   4.431  -3.632  -9.499
  631   1HB   GLU  82          1HB       GLU  82   7.142  -2.344  -9.597
  632   2HB   GLU  82          1HB       GLU  82   6.618  -3.747  -8.680
  633   1HG   GLU  82          1HG       GLU  82   6.595  -3.941 -11.642
  634   2HG   GLU  82          1HG       GLU  82   8.151  -3.955 -10.818
  635    H    PHE  83           H        PHE  83   5.031  -2.491  -7.274
  636    HA   PHE  83           HA       PHE  83   4.924   0.348  -7.374
  637   1HB   PHE  83          1HB       PHE  83   2.431  -1.182  -6.969
  638   2HB   PHE  83          1HB       PHE  83   2.708   0.156  -5.860
  639    HD1  PHE  83          1HD       PHE  83   1.775  -0.790  -9.223
  640    HD2  PHE  83          2HD       PHE  83   3.040   2.440  -6.755
  641    HE1  PHE  83          1HE       PHE  83   0.980   0.812 -10.913
  642    HE2  PHE  83          2HE       PHE  83   2.244   4.042  -8.439
  643    HZ   PHE  83           HZ       PHE  83   1.214   3.232 -10.521
  644    H    LEU  84           H        LEU  84   4.377   1.199  -5.185
  645    HA   LEU  84           HA       LEU  84   5.688  -0.405  -3.062
  646   1HB   LEU  84          1HB       LEU  84   7.139   1.472  -3.861
  647   2HB   LEU  84          1HB       LEU  84   5.893   2.607  -3.402
  648    HG   LEU  84           HG       LEU  84   7.860   2.381  -1.831
  649   1HD1  LEU  84          1HD1      LEU  84   6.041   3.546  -0.988
  650   2HD1  LEU  84          2HD1      LEU  84   6.342   2.302   0.222
  651   3HD1  LEU  84          3HD1      LEU  84   5.020   2.115  -0.926
  652   1HD2  LEU  84          1HD2      LEU  84   6.487  -0.112  -0.878
  653   2HD2  LEU  84          2HD2      LEU  84   8.030   0.568  -0.357
  654   3HD2  LEU  84          3HD2      LEU  84   7.877  -0.145  -1.964
  655    H    ILE  85           H        ILE  85   4.301  -0.809  -1.436
  656    HA   ILE  85           HA       ILE  85   2.038   1.063  -1.127
  657    HB   ILE  85           HB       ILE  85   2.014  -1.949  -0.987
  658   1HG1  ILE  85          1HG1      ILE  85   2.062  -1.017  -3.256
  659   2HG1  ILE  85          1HG1      ILE  85   0.516  -1.786  -2.918
  660   1HG2  ILE  85          1HG2      ILE  85   0.354  -0.200   0.433
  661   2HG2  ILE  85          2HG2      ILE  85   0.077  -1.914   0.130
  662   3HG2  ILE  85          3HG2      ILE  85  -0.598  -0.704  -0.962
  663   1HD1  ILE  85          1HD1      ILE  85  -0.628   0.188  -2.959
  664   2HD1  ILE  85          2HD1      ILE  85   0.650   0.533  -4.124
  665   3HD1  ILE  85          3HD1      ILE  85   0.775   1.136  -2.476
  666    H    ALA  86           H        ALA  86   2.172   2.078   0.639
  667    HA   ALA  86           HA       ALA  86   2.939   0.750   3.191
  668   1HB   ALA  86          1HB       ALA  86   3.368   2.883   4.194
  669   2HB   ALA  86          2HB       ALA  86   2.729   3.740   2.797
  670   3HB   ALA  86          3HB       ALA  86   4.247   2.850   2.666
  671    H    GLY  87           H        GLY  87   1.161   0.049   4.183
  672   1HA   GLY  87          2HA       GLY  87  -1.080   1.748   4.729
  673   2HA   GLY  87          1HA       GLY  87  -1.474   0.508   3.547
  674    H    LYS  88           H        LYS  88  -2.247   1.001   6.478
  675    HA   LYS  88           HA       LYS  88  -1.210  -1.211   7.931
  676   1HB   LYS  88          1HB       LYS  88  -3.235   0.905   8.473
  677   2HB   LYS  88          1HB       LYS  88  -3.255  -0.540   9.470
  678   1HG   LYS  88          1HG       LYS  88  -1.780   0.538  10.744
  679   2HG   LYS  88          1HG       LYS  88  -0.616   0.138   9.492
  680   1HD   LYS  88          1HD       LYS  88  -0.283   2.402   9.664
  681   2HD   LYS  88          1HD       LYS  88  -1.500   2.347   8.389
  682   1HE   LYS  88          1HE       LYS  88  -2.755   2.387  10.972
  683   2HE   LYS  88          1HE       LYS  88  -1.616   3.726  10.827
  684   1HZ   LYS  88          1HZ       LYS  88  -2.716   4.148   8.600
  685   2HZ   LYS  88          2HZ       LYS  88  -3.619   4.535   9.978
  686   3HZ   LYS  88          3HZ       LYS  88  -3.949   3.114   9.121
  687    H    LEU  89           H        LEU  89  -2.954  -2.639   9.150
  688    HA   LEU  89           HA       LEU  89  -4.669  -3.851   7.085
  689   1HB   LEU  89          1HB       LEU  89  -2.897  -4.995   9.186
  690   2HB   LEU  89          1HB       LEU  89  -4.408  -5.831   8.894
  691    HG   LEU  89           HG       LEU  89  -2.209  -5.343   6.886
  692   1HD1  LEU  89          1HD1      LEU  89  -3.093  -8.069   7.307
  693   2HD1  LEU  89          2HD1      LEU  89  -2.488  -7.340   8.794
  694   3HD1  LEU  89          3HD1      LEU  89  -1.466  -7.391   7.357
  695   1HD2  LEU  89          1HD2      LEU  89  -4.284  -7.165   6.068
  696   2HD2  LEU  89          2HD2      LEU  89  -3.649  -5.750   5.236
  697   3HD2  LEU  89          3HD2      LEU  89  -4.937  -5.573   6.415
  698    H    GLN  90           H        GLN  90  -6.803  -3.601   7.456
  699    HA   GLN  90           HA       GLN  90  -7.693  -3.084  10.204
  700   1HB   GLN  90          1HB       GLN  90  -8.490  -2.066   7.645
  701   2HB   GLN  90          1HB       GLN  90  -9.875  -2.794   8.443
  702   1HG   GLN  90          1HG       GLN  90  -8.772  -1.365  10.467
  703   2HG   GLN  90          1HG       GLN  90  -8.387  -0.353   9.077
  704   1HE2  GLN  90          1HE2      GLN  90  -9.836   1.142   8.691
  705   2HE2  GLN  90          2HE2      GLN  90 -11.534   1.027   8.986
  706    H    ASP  91           H        ASP  91  -8.483  -4.691  11.325
  707    HA   ASP  91           HA       ASP  91  -9.158  -6.819  11.828
  708   1HB   ASP  91          1HB       ASP  91 -11.250  -5.585  10.076
  709   2HB   ASP  91          1HB       ASP  91 -11.490  -7.198  10.741
  710    H    GLY  92           H        GLY  92  -7.290  -6.861   9.553
  711   1HA   GLY  92          2HA       GLY  92  -6.596  -9.057   8.733
  712   2HA   GLY  92          1HA       GLY  92  -8.279  -9.392   8.397
  713    H    LEU  93           H        LEU  93  -8.028  -6.347   7.291
  714    HA   LEU  93           HA       LEU  93  -7.155  -7.286   4.636
  715   1HB   LEU  93          1HB       LEU  93  -9.352  -5.334   5.300
  716   2HB   LEU  93          1HB       LEU  93  -8.812  -5.722   3.684
  717    HG   LEU  93           HG       LEU  93 -10.789  -6.949   3.993
  718   1HD1  LEU  93          1HD1      LEU  93  -8.273  -8.414   3.964
  719   2HD1  LEU  93          2HD1      LEU  93  -9.703  -8.595   2.963
  720   3HD1  LEU  93          3HD1      LEU  93  -9.632  -9.375   4.538
  721   1HD2  LEU  93          1HD2      LEU  93  -9.702  -7.911   6.634
  722   2HD2  LEU  93          2HD2      LEU  93 -11.248  -8.356   5.920
  723   3HD2  LEU  93          3HD2      LEU  93 -10.954  -6.689   6.419
  724    H    LEU  94           H        LEU  94  -5.977  -5.963   3.318
  725    HA   LEU  94           HA       LEU  94  -4.287  -4.082   4.531
  726   1HB   LEU  94          1HB       LEU  94  -3.690  -5.331   2.496
  727   2HB   LEU  94          1HB       LEU  94  -4.930  -4.466   1.609
  728    HG   LEU  94           HG       LEU  94  -3.720  -2.379   1.869
  729   1HD1  LEU  94          1HD1      LEU  94  -2.289  -3.878   3.885
  730   2HD1  LEU  94          2HD1      LEU  94  -2.412  -2.139   3.652
  731   3HD1  LEU  94          3HD1      LEU  94  -1.202  -3.063   2.766
  732   1HD2  LEU  94          1HD2      LEU  94  -1.824  -2.871   0.459
  733   2HD2  LEU  94          2HD2      LEU  94  -3.193  -3.871  -0.022
  734   3HD2  LEU  94          3HD2      LEU  94  -1.883  -4.569   0.926
  735    H    HIS  95           H        HIS  95  -4.183  -1.795   4.216
  736    HA   HIS  95           HA       HIS  95  -6.621  -0.589   3.176
  737   1HB   HIS  95          1HB       HIS  95  -5.676  -0.348   5.989
  738   2HB   HIS  95          1HB       HIS  95  -6.398   1.063   5.222
  739    HD1  HIS  95          1HD       HIS  95  -8.715   1.204   6.089
  740    HD2  HIS  95          2HD       HIS  95  -7.660  -2.694   5.125
  741    HE1  HIS  95          1HE       HIS  95 -10.805  -0.160   6.403
  742    HE2  HIS  95          2HE       HIS  95 -10.145  -2.514   5.798
  743    H    ILE  96           H        ILE  96  -6.362   1.256   2.148
  744    HA   ILE  96           HA       ILE  96  -3.701   2.512   2.266
  745    HB   ILE  96           HB       ILE  96  -4.827   2.844  -0.376
  746   1HG1  ILE  96          1HG1      ILE  96  -5.822   0.602   0.065
  747   2HG1  ILE  96          1HG1      ILE  96  -4.615   0.574  -1.217
  748   1HG2  ILE  96          1HG2      ILE  96  -2.505   3.253   0.260
  749   2HG2  ILE  96          2HG2      ILE  96  -2.610   2.085  -1.056
  750   3HG2  ILE  96          3HG2      ILE  96  -2.286   1.537   0.589
  751   1HD1  ILE  96          1HD1      ILE  96  -4.601  -0.716   1.414
  752   2HD1  ILE  96          2HD1      ILE  96  -3.072   0.002   0.918
  753   3HD1  ILE  96          3HD1      ILE  96  -3.845  -1.209  -0.095
  754    H    THR  97           H        THR  97  -3.666   4.722   2.073
  755    HA   THR  97           HA       THR  97  -6.199   6.103   1.660
  756    HB   THR  97           HB       THR  97  -6.383   5.989   3.961
  757    HG1  THR  97          1HG       THR  97  -5.829   8.300   3.026
  758   1HG2  THR  97          1HG2      THR  97  -4.636   6.151   5.567
  759   2HG2  THR  97          2HG2      THR  97  -3.461   6.524   4.311
  760   3HG2  THR  97          3HG2      THR  97  -4.207   4.927   4.371
  761    H    THR  98           H        THR  98  -6.029   8.187   0.987
  762    HA   THR  98           HA       THR  98  -3.818   8.838  -0.570
  763    HB   THR  98           HB       THR  98  -5.903   9.708  -1.199
  764    HG1  THR  98          1HG       THR  98  -4.476  11.888  -0.086
  765   1HG2  THR  98          1HG2      THR  98  -6.106  11.054   1.471
  766   2HG2  THR  98          2HG2      THR  98  -7.040   9.661   0.946
  767   3HG2  THR  98          3HG2      THR  98  -7.244  11.214   0.142
  768    H    CYS  99           H        CYS  99  -4.032   9.013   2.779
  769    HA   CYS  99           HA       CYS  99  -1.916  11.060   2.834
  770   1HB   CYS  99          1HB       CYS  99  -3.855  11.847   4.099
  771   2HB   CYS  99          1HB       CYS  99  -3.818  10.418   5.106
  772    H    SER 100           H        SER 100  -1.726   8.234   2.294
  773    HA   SER 100           HA       SER 100   0.119   7.452   4.454
  774   1HB   SER 100          1HB       SER 100  -2.121   6.008   3.542
  775   2HB   SER 100          1HB       SER 100  -0.732   5.210   2.822
  776    HG   SER 100           HG       SER 100  -1.003   4.293   4.801
  777    H    PHE 101           H        PHE 101   2.048   6.273   3.657
  778    HA   PHE 101           HA       PHE 101   3.044   7.476   1.302
  779   1HB   PHE 101          1HB       PHE 101   4.410   6.740   3.284
  780   2HB   PHE 101          1HB       PHE 101   4.269   5.096   2.670
  781    HD1  PHE 101          1HD       PHE 101   6.226   7.986   2.685
  782    HD2  PHE 101          2HD       PHE 101   4.944   4.838   0.123
  783    HE1  PHE 101          1HE       PHE 101   8.159   8.395   1.222
  784    HE2  PHE 101          2HE       PHE 101   6.881   5.242  -1.344
  785    HZ   PHE 101           HZ       PHE 101   8.491   7.019  -0.793
  786    H    VAL 102           H        VAL 102   2.149   6.906  -0.682
  787    HA   VAL 102           HA       VAL 102   2.320   4.072  -1.400
  788    HB   VAL 102           HB       VAL 102  -0.233   5.590  -1.885
  789   1HG1  VAL 102          1HG1      VAL 102   0.577   2.713  -2.175
  790   2HG1  VAL 102          2HG1      VAL 102   0.082   3.823  -3.450
  791   3HG1  VAL 102          3HG1      VAL 102  -1.093   3.265  -2.257
  792   1HG2  VAL 102          1HG2      VAL 102   0.017   5.346   0.506
  793   2HG2  VAL 102          2HG2      VAL 102   0.420   3.638   0.322
  794   3HG2  VAL 102          3HG2      VAL 102  -1.197   4.212  -0.077
  795    H    ALA 103           H        ALA 103   3.718   4.253  -3.053
  796    HA   ALA 103           HA       ALA 103   2.756   5.426  -5.526
  797   1HB   ALA 103          1HB       ALA 103   3.679   7.423  -4.815
  798   2HB   ALA 103          2HB       ALA 103   4.988   6.718  -5.762
  799   3HB   ALA 103          3HB       ALA 103   5.029   6.630  -4.003
  800    HA   PRO 104           HA       PRO 104   5.068   2.390  -7.792
  801   1HB   PRO 104          1HB       PRO 104   6.739   4.553  -8.952
  802   2HB   PRO 104          1HB       PRO 104   5.887   3.236  -9.762
  803   1HG   PRO 104          1HG       PRO 104   4.911   5.716  -9.803
  804   2HG   PRO 104          1HG       PRO 104   3.823   4.333  -9.607
  805   1HD   PRO 104          1HD       PRO 104   4.764   6.309  -7.578
  806   2HD   PRO 104          1HD       PRO 104   3.202   5.481  -7.698
  807    H    TRP 105           H        TRP 105   6.538   1.097  -6.966
  808    HA   TRP 105           HA       TRP 105   8.731   1.782  -5.387
  809   1HB   TRP 105          1HB       TRP 105   7.880  -0.544  -5.882
  810   2HB   TRP 105          1HB       TRP 105   8.614  -0.429  -7.451
  811    HD1  TRP 105           HD       TRP 105  10.831  -1.602  -7.576
  812    HE1  TRP 105          1HE       TRP 105  12.711  -2.174  -5.941
  813    HE3  TRP 105          3HE       TRP 105   8.980   0.661  -3.385
  814    HZ2  TRP 105          2HZ       TRP 105  13.335  -1.746  -3.204
  815    HZ3  TRP 105          3HZ       TRP 105  10.284   0.536  -1.302
  816    HH2  TRP 105           HH       TRP 105  12.420  -0.644  -1.221
  817    H    ASN 106           H        ASN 106   8.393   1.105  -8.805
  818    HA   ASN 106           HA       ASN 106  10.895   1.730  -9.577
  819   1HB   ASN 106          1HB       ASN 106   8.350   1.642 -11.116
  820   2HB   ASN 106          1HB       ASN 106   9.889   1.990 -11.899
  821   1HD2  ASN 106          1HD2      ASN 106   7.983  -0.273 -12.093
  822   2HD2  ASN 106          2HD2      ASN 106   8.939  -1.687 -11.830
  823    H    SER 107           H        SER 107   9.515   3.886  -8.036
  824    HA   SER 107           HA       SER 107  10.418   6.091  -9.732
  825   1HB   SER 107          1HB       SER 107   7.953   6.011  -7.991
  826   2HB   SER 107          1HB       SER 107   8.730   7.538  -8.405
  827    HG   SER 107           HG       SER 107   8.075   5.714 -10.442
  828    H    LEU 108           H        LEU 108  10.958   4.231  -7.321
  829    HA   LEU 108           HA       LEU 108  11.840   6.058  -5.293
  830   1HB   LEU 108          1HB       LEU 108  11.402   3.186  -5.568
  831   2HB   LEU 108          1HB       LEU 108  12.646   3.649  -4.420
  832    HG   LEU 108           HG       LEU 108  10.744   5.316  -3.602
  833   1HD1  LEU 108          1HD1      LEU 108   9.346   3.925  -5.522
  834   2HD1  LEU 108          2HD1      LEU 108   8.650   4.875  -4.209
  835   3HD1  LEU 108          3HD1      LEU 108   8.872   3.137  -4.018
  836   1HD2  LEU 108          1HD2      LEU 108  11.392   4.045  -1.905
  837   2HD2  LEU 108          2HD2      LEU 108  11.536   2.596  -2.897
  838   3HD2  LEU 108          3HD2      LEU 108   9.962   3.085  -2.269
  839    H    SER 109           H        SER 109  13.801   6.061  -4.383
  840    HA   SER 109           HA       SER 109  16.032   6.328  -6.188
  841   1HB   SER 109          1HB       SER 109  16.339   6.273  -3.210
  842   2HB   SER 109          1HB       SER 109  17.212   7.224  -4.394
  843    HG   SER 109           HG       SER 109  14.800   8.032  -4.693
  844    H    LEU 110           H        LEU 110  17.235   4.870  -6.886
  845    HA   LEU 110           HA       LEU 110  17.389   2.246  -6.525
  846   1HB   LEU 110          1HB       LEU 110  19.932   2.547  -6.882
  847   2HB   LEU 110          1HB       LEU 110  18.813   3.093  -8.082
  848    HG   LEU 110           HG       LEU 110  20.867   4.530  -7.332
  849   1HD1  LEU 110          1HD1      LEU 110  19.747   6.534  -8.163
  850   2HD1  LEU 110          2HD1      LEU 110  18.206   5.686  -8.055
  851   3HD1  LEU 110          3HD1      LEU 110  19.449   5.118  -9.169
  852   1HD2  LEU 110          1HD2      LEU 110  20.418   6.261  -5.826
  853   2HD2  LEU 110          2HD2      LEU 110  20.152   4.726  -5.013
  854   3HD2  LEU 110          3HD2      LEU 110  18.772   5.688  -5.578
  855    H    ALA 111           H        ALA 111  18.544   4.593  -4.257
  856    HA   ALA 111           HA       ALA 111  19.854   2.697  -2.575
  857   1HB   ALA 111          1HB       ALA 111  20.343   5.271  -3.051
  858   2HB   ALA 111          2HB       ALA 111  20.800   4.480  -1.536
  859   3HB   ALA 111          3HB       ALA 111  19.316   5.436  -1.621
  860    H    GLN 112           H        GLN 112  16.943   4.569  -2.769
  861    HA   GLN 112           HA       GLN 112  15.897   3.714  -0.277
  862   1HB   GLN 112          1HB       GLN 112  15.614   5.985  -1.490
  863   2HB   GLN 112          1HB       GLN 112  14.490   5.136  -2.539
  864   1HG   GLN 112          1HG       GLN 112  13.560   6.442  -0.573
  865   2HG   GLN 112          1HG       GLN 112  12.973   4.795  -0.825
  866   1HE2  GLN 112          1HE2      GLN 112  14.013   3.099   0.392
  867   2HE2  GLN 112          2HE2      GLN 112  14.596   3.428   1.979
  868    H    ARG 113           H        ARG 113  16.421   2.331  -3.137
  869    HA   ARG 113           HA       ARG 113  13.966   0.787  -3.236
  870   1HB   ARG 113          1HB       ARG 113  15.924   1.452  -5.147
  871   2HB   ARG 113          1HB       ARG 113  16.185  -0.252  -4.802
  872   1HG   ARG 113          1HG       ARG 113  14.707  -0.405  -6.526
  873   2HG   ARG 113          1HG       ARG 113  13.602  -0.387  -5.164
  874   1HD   ARG 113          1HD       ARG 113  12.654   1.516  -5.834
  875   2HD   ARG 113          1HD       ARG 113  14.228   2.294  -6.048
  876    HE   ARG 113           HE       ARG 113  12.615   1.029  -8.083
  877   1HH1  ARG 113          1HH1      ARG 113  15.792   2.128  -7.178
  878   2HH1  ARG 113          2HH1      ARG 113  16.366   2.233  -8.807
  879   1HH2  ARG 113          1HH2      ARG 113  13.361   1.162 -10.239
  880   2HH2  ARG 113          2HH2      ARG 113  14.983   1.686 -10.547
  881    H    ARG 114           H        ARG 114  17.373   0.673  -2.312
  882    HA   ARG 114           HA       ARG 114  17.063  -2.005  -1.251
  883   1HB   ARG 114          1HB       ARG 114  19.295  -1.971  -0.682
  884   2HB   ARG 114          1HB       ARG 114  19.235  -1.037  -2.160
  885   1HG   ARG 114          1HG       ARG 114  20.698   0.149  -0.849
  886   2HG   ARG 114          1HG       ARG 114  19.186   0.996  -0.568
  887   1HD   ARG 114          1HD       ARG 114  18.992   0.207   1.582
  888   2HD   ARG 114          1HD       ARG 114  19.860  -1.272   1.213
  889    HE   ARG 114           HE       ARG 114  21.843  -0.209   1.714
  890   1HH1  ARG 114          1HH1      ARG 114  19.258   2.133   1.558
  891   2HH1  ARG 114          2HH1      ARG 114  20.211   3.416   2.222
  892   1HH2  ARG 114          1HH2      ARG 114  23.099   1.483   2.589
  893   2HH2  ARG 114          2HH2      ARG 114  22.390   3.049   2.805
  894    H    GLY 115           H        GLY 115  17.602   1.228   0.155
  895   1HA   GLY 115          2HA       GLY 115  17.492   0.590   2.807
  896   2HA   GLY 115          1HA       GLY 115  16.859   2.086   2.135
  897    H    PHE 116           H        PHE 116  14.624   1.267   0.703
  898    HA   PHE 116           HA       PHE 116  12.839   0.856   2.862
  899   1HB   PHE 116          1HB       PHE 116  12.520   0.807  -0.103
  900   2HB   PHE 116          1HB       PHE 116  11.282  -0.026   0.826
  901    HD1  PHE 116          1HD       PHE 116  10.385   1.413   2.892
  902    HD2  PHE 116          2HD       PHE 116  12.169   2.980  -0.613
  903    HE1  PHE 116          1HE       PHE 116   9.220   3.549   3.268
  904    HE2  PHE 116          2HE       PHE 116  11.023   5.121  -0.255
  905    HZ   PHE 116           HZ       PHE 116   9.538   5.402   1.683
  906    H    THR 117           H        THR 117  14.892  -1.236   1.409
  907    HA   THR 117           HA       THR 117  13.365  -3.601   2.144
  908    HB   THR 117           HB       THR 117  14.846  -3.081  -0.113
  909    HG1  THR 117          1HG       THR 117  14.693  -5.744   0.402
  910   1HG2  THR 117          1HG2      THR 117  16.450  -5.300   0.712
  911   2HG2  THR 117          2HG2      THR 117  16.789  -3.900   1.726
  912   3HG2  THR 117          3HG2      THR 117  16.930  -3.774  -0.024
  913    H    LYS 118           H        LYS 118  15.836  -1.502   3.200
  914    HA   LYS 118           HA       LYS 118  16.446  -3.292   5.426
  915   1HB   LYS 118          1HB       LYS 118  18.802  -2.974   5.255
  916   2HB   LYS 118          1HB       LYS 118  18.225  -3.431   3.657
  917   1HG   LYS 118          1HG       LYS 118  18.729  -1.427   2.744
  918   2HG   LYS 118          1HG       LYS 118  18.423  -0.534   4.225
  919   1HD   LYS 118          1HD       LYS 118  20.727  -0.365   3.958
  920   2HD   LYS 118          1HD       LYS 118  20.535  -1.671   5.127
  921   1HE   LYS 118          1HE       LYS 118  21.036  -3.318   3.535
  922   2HE   LYS 118          1HE       LYS 118  20.771  -2.221   2.187
  923   1HZ   LYS 118          1HZ       LYS 118  22.774  -1.056   3.648
  924   2HZ   LYS 118          2HZ       LYS 118  22.953  -1.900   2.193
  925   3HZ   LYS 118          3HZ       LYS 118  23.153  -2.705   3.667
  926    H    THR 119           H        THR 119  16.618   0.020   4.223
  927    HA   THR 119           HA       THR 119  17.567   1.291   6.485
  928    HB   THR 119           HB       THR 119  16.325   3.334   5.513
  929    HG1  THR 119          1HG       THR 119  16.009   2.862   3.173
  930   1HG2  THR 119          1HG2      THR 119  18.716   3.031   5.146
  931   2HG2  THR 119          2HG2      THR 119  17.933   3.575   3.663
  932   3HG2  THR 119          3HG2      THR 119  18.392   1.883   3.846
  933    H    TYR 120           H        TYR 120  14.051   1.068   5.512
  934    HA   TYR 120           HA       TYR 120  13.525   2.665   7.763
  935   1HB   TYR 120          1HB       TYR 120  11.742   1.477   5.683
  936   2HB   TYR 120          1HB       TYR 120  11.223   2.515   6.981
  937    HD1  TYR 120          1HD       TYR 120  13.761   2.569   4.261
  938    HD2  TYR 120          2HD       TYR 120  10.899   4.701   6.563
  939    HE1  TYR 120          1HE       TYR 120  14.165   4.573   2.897
  940    HE2  TYR 120          2HE       TYR 120  11.279   6.700   5.204
  941    HH   TYR 120           HH       TYR 120  13.371   6.639   2.369
  942    H    THR 121           H        THR 121  14.366  -0.159   8.195
  943    HA   THR 121           HA       THR 121  11.982  -1.217   9.493
  944    HB   THR 121           HB       THR 121  12.721  -3.215   8.910
  945    HG1  THR 121          1HG       THR 121  14.963  -3.838   9.600
  946   1HG2  THR 121          1HG2      THR 121  15.369  -2.720   7.901
  947   2HG2  THR 121          2HG2      THR 121  14.204  -1.560   7.265
  948   3HG2  THR 121          3HG2      THR 121  13.926  -3.286   7.064
  949    H    VAL 122           H        VAL 122  15.037  -0.077   9.987
  950    HA   VAL 122           HA       VAL 122  14.825  -0.023  12.933
  951    HB   VAL 122           HB       VAL 122  17.446  -0.139  11.486
  952   1HG1  VAL 122          1HG1      VAL 122  17.676  -1.301  13.999
  953   2HG1  VAL 122          2HG1      VAL 122  16.588   0.064  14.248
  954   3HG1  VAL 122          3HG1      VAL 122  18.183   0.324  13.543
  955   1HG2  VAL 122          1HG2      VAL 122  16.278  -2.567  12.796
  956   2HG2  VAL 122          2HG2      VAL 122  17.562  -2.452  11.593
  957   3HG2  VAL 122          3HG2      VAL 122  15.888  -2.185  11.121
  958    H    GLY 123           H        GLY 123  15.629   1.642   9.986
  959   1HA   GLY 123          2HA       GLY 123  16.212   4.063  11.557
  960   2HA   GLY 123          1HA       GLY 123  17.011   3.690  10.036
  961    H    CYS 124           H        CYS 124  13.656   3.098  10.650
  962    HA   CYS 124           HA       CYS 124  12.715   4.386   8.339
  963   1HB   CYS 124          1HB       CYS 124  10.493   4.131   9.446
  964   2HB   CYS 124          1HB       CYS 124  11.479   2.666   9.479
  965    H    GLU 125           H        GLU 125  14.187   6.403   8.882
  966    HA   GLU 125           HA       GLU 125  12.452   8.349  10.231
  967   1HB   GLU 125          1HB       GLU 125  15.031   9.360  10.508
  968   2HB   GLU 125          1HB       GLU 125  14.004   8.699  11.770
  969   1HG   GLU 125          1HG       GLU 125  14.944   6.415  11.003
  970   2HG   GLU 125          1HG       GLU 125  16.212   7.392  10.255
  971    H    GLU 126           H        GLU 126  12.247   7.947   7.545
  972    HA   GLU 126           HA       GLU 126  13.595  10.275   6.452
  973   1HB   GLU 126          1HB       GLU 126  12.464   7.869   5.124
  974   2HB   GLU 126          1HB       GLU 126  12.957   9.291   4.227
  975   1HG   GLU 126          1HG       GLU 126  14.902   8.157   4.101
  976   2HG   GLU 126          1HG       GLU 126  15.159   8.919   5.671
  Start of MODEL   21
    1   1H    CYS   1          1HT       CYS   1  -7.024  13.094   5.988
    2   2H    CYS   1          2HT       CYS   1  -8.579  12.371   5.938
    3   3H    CYS   1          3HT       CYS   1  -8.098  13.462   4.706
    4    HA   CYS   1           HA       CYS   1  -6.450  11.125   5.170
    5   1HB   CYS   1          1HB       CYS   1  -9.280  11.020   4.628
    6   2HB   CYS   1          1HB       CYS   1  -8.371  10.393   3.271
    7    H    THR   2           H        THR   2  -8.270  13.168   2.887
    8    HA   THR   2           HA       THR   2  -6.503  12.604   0.718
    9    HB   THR   2           HB       THR   2  -8.813  13.182   0.272
   10    HG1  THR   2          1HG       THR   2  -7.031  15.196  -0.621
   11   1HG2  THR   2          1HG2      THR   2  -8.291  16.000   1.127
   12   2HG2  THR   2          2HG2      THR   2  -8.982  14.810   2.229
   13   3HG2  THR   2          3HG2      THR   2  -9.824  15.223   0.736
   14    H    CYS   3           H        CYS   3  -4.606  13.121   2.217
   15    HA   CYS   3           HA       CYS   3  -4.009  15.991   2.151
   16   1HB   CYS   3          1HB       CYS   3  -2.914  15.763   4.112
   17   2HB   CYS   3          1HB       CYS   3  -3.892  14.324   4.264
   18    H    VAL   4           H        VAL   4  -1.366  16.078   2.303
   19    HA   VAL   4           HA       VAL   4  -0.553  15.311  -0.374
   20    HB   VAL   4           HB       VAL   4  -0.359  17.617   0.626
   21   1HG1  VAL   4          1HG1      VAL   4   1.008  16.341   2.644
   22   2HG1  VAL   4          2HG1      VAL   4   0.910  18.082   2.381
   23   3HG1  VAL   4          3HG1      VAL   4   2.273  17.169   1.735
   24   1HG2  VAL   4          1HG2      VAL   4   0.873  16.688  -1.420
   25   2HG2  VAL   4          2HG2      VAL   4   2.303  16.770  -0.380
   26   3HG2  VAL   4          3HG2      VAL   4   1.376  18.227  -0.728
   27    HA   PRO   5           HA       PRO   5   2.005  11.819   0.403
   28   1HB   PRO   5          1HB       PRO   5   4.185  13.569  -0.709
   29   2HB   PRO   5          1HB       PRO   5   3.841  11.861  -1.042
   30   1HG   PRO   5          1HG       PRO   5   3.000  13.647  -2.770
   31   2HG   PRO   5          1HG       PRO   5   1.876  12.374  -2.249
   32   1HD   PRO   5          1HD       PRO   5   2.018  15.227  -1.417
   33   2HD   PRO   5          1HD       PRO   5   0.577  14.260  -1.723
   34    HA   PRO   6           HA       PRO   6   3.813  13.224   4.269
   35   1HB   PRO   6          1HB       PRO   6   2.952  10.978   5.632
   36   2HB   PRO   6          1HB       PRO   6   2.050  12.481   5.443
   37   1HG   PRO   6          1HG       PRO   6   1.422   9.929   4.357
   38   2HG   PRO   6          1HG       PRO   6   0.573  11.457   4.082
   39   1HD   PRO   6          1HD       PRO   6   2.568  10.070   2.388
   40   2HD   PRO   6          1HD       PRO   6   1.270  11.192   1.927
   41    H    HIS   7           H        HIS   7   5.765  12.931   5.182
   42    HA   HIS   7           HA       HIS   7   7.843  11.650   4.329
   43   1HB   HIS   7          1HB       HIS   7   7.152  11.635   7.261
   44   2HB   HIS   7          1HB       HIS   7   8.758  11.574   6.558
   45    HD1  HIS   7          1HD       HIS   7   9.594  13.777   5.347
   46    HD2  HIS   7          2HD       HIS   7   6.092  14.151   7.550
   47    HE1  HIS   7          1HE       HIS   7   9.252  16.249   5.649
   48    HE2  HIS   7          2HE       HIS   7   7.080  16.454   6.910
   49    HA   PRO   8           HA       PRO   8   7.021   7.258   4.207
   50   1HB   PRO   8          1HB       PRO   8   9.457   6.597   3.239
   51   2HB   PRO   8          1HB       PRO   8   8.185   7.267   2.211
   52   1HG   PRO   8          1HG       PRO   8  10.447   8.674   3.559
   53   2HG   PRO   8          1HG       PRO   8   9.927   8.803   1.870
   54   1HD   PRO   8          1HD       PRO   8   9.272  10.632   3.694
   55   2HD   PRO   8          1HD       PRO   8   8.106  10.132   2.446
   56    H    GLN   9           H        GLN   9   9.453   9.068   5.895
   57    HA   GLN   9           HA       GLN   9  10.660   6.898   7.267
   58   1HB   GLN   9          1HB       GLN   9  11.437   8.695   8.812
   59   2HB   GLN   9          1HB       GLN   9  11.805   9.038   7.134
   60   1HG   GLN   9          1HG       GLN   9   9.528  10.332   7.257
   61   2HG   GLN   9          1HG       GLN   9   9.927  10.381   8.970
   62   1HE2  GLN   9          1HE2      GLN   9  10.215  12.023   6.148
   63   2HE2  GLN   9          2HE2      GLN   9  11.610  12.973   6.492
   64    H    THR  10           H        THR  10   7.810   8.840   7.547
   65    HA   THR  10           HA       THR  10   7.185   7.839  10.189
   66    HB   THR  10           HB       THR  10   6.399  10.112   8.464
   67    HG1  THR  10          1HG       THR  10   6.383   9.868  11.278
   68   1HG2  THR  10          1HG2      THR  10   4.218  10.112   8.682
   69   2HG2  THR  10          2HG2      THR  10   4.385  10.013  10.437
   70   3HG2  THR  10          3HG2      THR  10   4.283   8.538   9.480
   71    H    ALA  11           H        ALA  11   6.138   7.868   6.801
   72    HA   ALA  11           HA       ALA  11   3.796   6.343   7.082
   73   1HB   ALA  11          1HB       ALA  11   3.691   6.305   4.823
   74   2HB   ALA  11          2HB       ALA  11   5.437   6.142   4.628
   75   3HB   ALA  11          3HB       ALA  11   4.741   7.701   5.083
   76    H    PHE  12           H        PHE  12   7.174   5.323   6.502
   77    HA   PHE  12           HA       PHE  12   6.456   2.613   6.112
   78   1HB   PHE  12          1HB       PHE  12   8.747   3.787   5.608
   79   2HB   PHE  12          1HB       PHE  12   9.129   3.316   7.264
   80    HD1  PHE  12          1HD       PHE  12  10.420   1.452   7.344
   81    HD2  PHE  12          2HD       PHE  12   7.363   1.646   4.415
   82    HE1  PHE  12          1HE       PHE  12  10.989  -0.829   6.622
   83    HE2  PHE  12          2HE       PHE  12   7.937  -0.637   3.680
   84    HZ   PHE  12           HZ       PHE  12   9.740  -1.875   4.781
   85    H    CYS  13           H        CYS  13   7.995   4.186   8.900
   86    HA   CYS  13           HA       CYS  13   7.740   2.048  10.647
   87   1HB   CYS  13          1HB       CYS  13   8.739   4.744  10.630
   88   2HB   CYS  13          1HB       CYS  13   7.931   4.399  12.153
   89    H    ASN  14           H        ASN  14   5.201   4.444   9.877
   90    HA   ASN  14           HA       ASN  14   4.066   3.944  12.498
   91   1HB   ASN  14          1HB       ASN  14   3.806   6.017  10.432
   92   2HB   ASN  14          1HB       ASN  14   2.251   5.457  11.032
   93   1HD2  ASN  14          1HD2      ASN  14   5.221   7.072  11.818
   94   2HD2  ASN  14          2HD2      ASN  14   4.707   7.709  13.340
   95    H    SER  15           H        SER  15   3.786   3.035   9.143
   96    HA   SER  15           HA       SER  15   1.225   1.908   9.336
   97   1HB   SER  15          1HB       SER  15   2.767   2.688   7.264
   98   2HB   SER  15          1HB       SER  15   2.973   0.944   7.217
   99    HG   SER  15           HG       SER  15   1.191   1.161   6.116
  100    H    ASP  16           H        ASP  16   0.714   0.003   9.264
  101    HA   ASP  16           HA       ASP  16   2.336  -1.988  10.569
  102   1HB   ASP  16          1HB       ASP  16  -0.559  -1.623  10.136
  103   2HB   ASP  16          1HB       ASP  16   0.072  -3.108  10.828
  104    H    LEU  17           H        LEU  17   1.904  -1.363   7.485
  105    HA   LEU  17           HA       LEU  17   2.806  -3.873   6.764
  106   1HB   LEU  17          1HB       LEU  17  -0.083  -3.662   6.524
  107   2HB   LEU  17          1HB       LEU  17   0.715  -4.243   5.067
  108    HG   LEU  17           HG       LEU  17   1.967  -5.607   7.168
  109   1HD1  LEU  17          1HD1      LEU  17  -0.061  -4.803   8.497
  110   2HD1  LEU  17          2HD1      LEU  17   0.342  -6.517   8.549
  111   3HD1  LEU  17          3HD1      LEU  17  -0.958  -5.947   7.537
  112   1HD2  LEU  17          1HD2      LEU  17   0.492  -7.529   6.209
  113   2HD2  LEU  17          2HD2      LEU  17   1.730  -6.765   5.211
  114   3HD2  LEU  17          3HD2      LEU  17   0.038  -6.307   5.024
  115    H    VAL  18           H        VAL  18   4.132  -3.706   5.121
  116    HA   VAL  18           HA       VAL  18   3.590  -1.704   3.045
  117    HB   VAL  18           HB       VAL  18   6.373  -2.047   4.108
  118   1HG1  VAL  18          1HG1      VAL  18   5.112  -0.549   2.040
  119   2HG1  VAL  18          2HG1      VAL  18   6.817  -0.617   2.472
  120   3HG1  VAL  18          3HG1      VAL  18   5.767   0.587   3.219
  121   1HG2  VAL  18          1HG2      VAL  18   4.604   0.190   5.079
  122   2HG2  VAL  18          2HG2      VAL  18   6.169  -0.338   5.696
  123   3HG2  VAL  18          3HG2      VAL  18   4.738  -1.328   5.967
  124    H    ILE  19           H        ILE  19   4.047  -2.482   1.010
  125    HA   ILE  19           HA       ILE  19   5.885  -4.726   0.807
  126    HB   ILE  19           HB       ILE  19   4.235  -5.972  -0.510
  127   1HG1  ILE  19          1HG1      ILE  19   2.051  -4.153   0.402
  128   2HG1  ILE  19          1HG1      ILE  19   2.997  -3.665  -1.000
  129   1HG2  ILE  19          1HG2      ILE  19   4.365  -5.840   2.169
  130   2HG2  ILE  19          2HG2      ILE  19   3.283  -6.926   1.304
  131   3HG2  ILE  19          3HG2      ILE  19   2.679  -5.391   1.927
  132   1HD1  ILE  19          1HD1      ILE  19   0.888  -4.895  -1.506
  133   2HD1  ILE  19          2HD1      ILE  19   1.616  -6.322  -0.773
  134   3HD1  ILE  19          3HD1      ILE  19   2.343  -5.599  -2.209
  135    H    ARG  20           H        ARG  20   5.461  -5.386  -1.751
  136    HA   ARG  20           HA       ARG  20   5.633  -2.990  -3.343
  137   1HB   ARG  20          1HB       ARG  20   7.437  -4.156  -4.728
  138   2HB   ARG  20          1HB       ARG  20   7.955  -3.459  -3.202
  139   1HG   ARG  20          1HG       ARG  20   8.872  -5.401  -2.737
  140   2HG   ARG  20          1HG       ARG  20   7.249  -6.058  -2.575
  141   1HD   ARG  20          1HD       ARG  20   8.333  -7.466  -4.102
  142   2HD   ARG  20          1HD       ARG  20   7.318  -6.425  -5.074
  143    HE   ARG  20           HE       ARG  20   9.489  -5.079  -5.327
  144   1HH1  ARG  20          1HH1      ARG  20   9.312  -8.564  -5.113
  145   2HH1  ARG  20          2HH1      ARG  20  10.734  -8.818  -6.061
  146   1HH2  ARG  20          1HH2      ARG  20  11.356  -5.419  -6.587
  147   2HH2  ARG  20          2HH2      ARG  20  11.894  -7.035  -6.902
  148    H    ALA  21           H        ALA  21   4.164  -3.214  -4.798
  149    HA   ALA  21           HA       ALA  21   3.581  -5.801  -6.045
  150   1HB   ALA  21          1HB       ALA  21   1.646  -4.540  -4.166
  151   2HB   ALA  21          2HB       ALA  21   2.296  -6.178  -4.169
  152   3HB   ALA  21          3HB       ALA  21   1.138  -5.686  -5.407
  153    H    LYS  22           H        LYS  22   1.867  -5.872  -7.526
  154    HA   LYS  22           HA       LYS  22   1.622  -3.438  -9.169
  155   1HB   LYS  22          1HB       LYS  22   1.825  -6.333  -9.654
  156   2HB   LYS  22          1HB       LYS  22   0.692  -5.501 -10.699
  157   1HG   LYS  22          1HG       LYS  22   2.373  -4.378 -11.775
  158   2HG   LYS  22          1HG       LYS  22   3.444  -4.416 -10.370
  159   1HD   LYS  22          1HD       LYS  22   2.763  -7.062 -11.407
  160   2HD   LYS  22          1HD       LYS  22   3.638  -6.053 -12.551
  161   1HE   LYS  22          1HE       LYS  22   5.475  -5.819 -11.125
  162   2HE   LYS  22          1HE       LYS  22   4.564  -6.392  -9.728
  163   1HZ   LYS  22          1HZ       LYS  22   4.583  -8.587 -10.561
  164   2HZ   LYS  22          2HZ       LYS  22   6.169  -8.020 -10.716
  165   3HZ   LYS  22          3HZ       LYS  22   5.165  -8.102 -12.075
  166    H    PHE  23           H        PHE  23  -0.485  -2.902 -10.051
  167    HA   PHE  23           HA       PHE  23  -2.708  -3.977  -8.443
  168   1HB   PHE  23          1HB       PHE  23  -2.182  -1.353  -9.778
  169   2HB   PHE  23          1HB       PHE  23  -3.854  -1.901  -9.683
  170    HD1  PHE  23          1HD       PHE  23  -5.092  -1.512  -7.768
  171    HD2  PHE  23          2HD       PHE  23  -0.843  -1.330  -7.570
  172    HE1  PHE  23          1HE       PHE  23  -5.239  -0.702  -5.449
  173    HE2  PHE  23          2HE       PHE  23  -0.983  -0.522  -5.249
  174    HZ   PHE  23           HZ       PHE  23  -3.183  -0.206  -4.187
  175    H    VAL  24           H        VAL  24  -3.923  -5.320  -9.179
  176    HA   VAL  24           HA       VAL  24  -4.124  -5.755 -12.060
  177    HB   VAL  24           HB       VAL  24  -5.104  -8.011 -10.998
  178   1HG1  VAL  24          1HG1      VAL  24  -2.355  -8.473 -11.052
  179   2HG1  VAL  24          2HG1      VAL  24  -2.665  -7.185 -12.213
  180   3HG1  VAL  24          3HG1      VAL  24  -3.511  -8.725 -12.357
  181   1HG2  VAL  24          1HG2      VAL  24  -3.661  -6.810  -8.816
  182   2HG2  VAL  24          2HG2      VAL  24  -3.064  -8.406  -9.234
  183   3HG2  VAL  24          3HG2      VAL  24  -4.763  -8.177  -8.824
  184    H    GLY  25           H        GLY  25  -6.370  -7.038  -9.616
  185   1HA   GLY  25          2HA       GLY  25  -8.613  -6.627 -11.118
  186   2HA   GLY  25          1HA       GLY  25  -8.632  -6.827  -9.385
  187    H    THR  26           H        THR  26 -10.634  -5.587 -10.144
  188    HA   THR  26           HA       THR  26 -10.237  -2.678 -10.165
  189    HB   THR  26           HB       THR  26 -11.599  -3.783 -11.937
  190    HG1  THR  26          1HG       THR  26 -12.767  -1.923 -10.196
  191   1HG2  THR  26          1HG2      THR  26 -13.846  -4.576 -11.407
  192   2HG2  THR  26          2HG2      THR  26 -13.482  -4.435  -9.686
  193   3HG2  THR  26          3HG2      THR  26 -12.593  -5.584 -10.687
  194    HA   PRO  27           HA       PRO  27 -11.717  -2.405  -5.978
  195   1HB   PRO  27          1HB       PRO  27 -12.371   0.151  -5.780
  196   2HB   PRO  27          1HB       PRO  27 -10.725  -0.348  -6.166
  197   1HG   PRO  27          1HG       PRO  27 -12.875   0.588  -8.021
  198   2HG   PRO  27          1HG       PRO  27 -11.180   1.104  -7.935
  199   1HD   PRO  27          1HD       PRO  27 -12.111  -0.766  -9.694
  200   2HD   PRO  27          1HD       PRO  27 -10.441  -0.721  -9.110
  201    H    GLU  28           H        GLU  28 -13.402  -2.773  -4.730
  202    HA   GLU  28           HA       GLU  28 -16.072  -2.786  -5.909
  203   1HB   GLU  28          1HB       GLU  28 -14.808  -4.095  -3.665
  204   2HB   GLU  28          1HB       GLU  28 -16.322  -3.319  -3.180
  205   1HG   GLU  28          1HG       GLU  28 -17.084  -4.530  -5.471
  206   2HG   GLU  28          1HG       GLU  28 -15.854  -5.658  -4.901
  207    H    VAL  29           H        VAL  29 -17.340  -1.051  -5.821
  208    HA   VAL  29           HA       VAL  29 -16.944   0.778  -3.586
  209    HB   VAL  29           HB       VAL  29 -18.639   1.537  -5.858
  210   1HG1  VAL  29          1HG1      VAL  29 -17.672   3.779  -5.280
  211   2HG1  VAL  29          2HG1      VAL  29 -16.852   2.996  -3.927
  212   3HG1  VAL  29          3HG1      VAL  29 -18.613   3.024  -3.992
  213   1HG2  VAL  29          1HG2      VAL  29 -16.980   1.347  -7.332
  214   2HG2  VAL  29          2HG2      VAL  29 -15.838   0.888  -6.067
  215   3HG2  VAL  29          3HG2      VAL  29 -16.125   2.592  -6.423
  216    H    ASN  30           H        ASN  30 -18.571   1.648  -2.443
  217    HA   ASN  30           HA       ASN  30 -21.245   0.788  -2.990
  218   1HB   ASN  30          1HB       ASN  30 -20.128  -0.937  -1.405
  219   2HB   ASN  30          1HB       ASN  30 -20.491   0.271  -0.178
  220   1HD2  ASN  30          1HD2      ASN  30 -22.082  -0.821   0.890
  221   2HD2  ASN  30          2HD2      ASN  30 -23.597  -1.247   0.178
  222    H    GLN  31           H        GLN  31 -22.745   1.538  -1.523
  223    HA   GLN  31           HA       GLN  31 -22.283   4.374  -0.909
  224   1HB   GLN  31          1HB       GLN  31 -24.939   2.913  -0.952
  225   2HB   GLN  31          1HB       GLN  31 -24.681   4.651  -0.858
  226   1HG   GLN  31          1HG       GLN  31 -24.091   2.865  -3.201
  227   2HG   GLN  31          1HG       GLN  31 -25.378   4.064  -3.073
  228   1HE2  GLN  31          1HE2      GLN  31 -22.070   3.497  -3.758
  229   2HE2  GLN  31          2HE2      GLN  31 -21.638   5.121  -4.159
  230    H    THR  32           H        THR  32 -22.347   1.295   0.378
  231    HA   THR  32           HA       THR  32 -22.842   2.239   3.105
  232    HB   THR  32           HB       THR  32 -24.084   0.183   1.461
  233    HG1  THR  32          1HG       THR  32 -24.923   2.089   2.887
  234   1HG2  THR  32          1HG2      THR  32 -23.894  -0.636   4.315
  235   2HG2  THR  32          2HG2      THR  32 -22.660  -1.157   3.154
  236   3HG2  THR  32          3HG2      THR  32 -24.355  -1.565   2.887
  237    H    THR  33           H        THR  33 -20.299   1.210   1.286
  238    HA   THR  33           HA       THR  33 -19.388  -0.887   3.051
  239    HB   THR  33           HB       THR  33 -17.288  -0.621   1.832
  240    HG1  THR  33          1HG       THR  33 -17.262   0.930   0.081
  241   1HG2  THR  33          1HG2      THR  33 -19.711  -1.239   0.457
  242   2HG2  THR  33          2HG2      THR  33 -18.117  -1.973   0.314
  243   3HG2  THR  33          3HG2      THR  33 -18.512  -0.532  -0.643
  244    H    LEU  34           H        LEU  34 -18.703   2.442   2.185
  245    HA   LEU  34           HA       LEU  34 -17.956   4.182   3.464
  246   1HB   LEU  34          1HB       LEU  34 -17.718   2.081   5.555
  247   2HB   LEU  34          1HB       LEU  34 -16.665   3.477   5.658
  248    HG   LEU  34           HG       LEU  34 -19.422   3.230   6.363
  249   1HD1  LEU  34          1HD1      LEU  34 -18.488   4.421   7.983
  250   2HD1  LEU  34          2HD1      LEU  34 -18.556   5.811   6.902
  251   3HD1  LEU  34          3HD1      LEU  34 -17.102   4.819   6.973
  252   1HD2  LEU  34          1HD2      LEU  34 -19.970   5.573   5.332
  253   2HD2  LEU  34          2HD2      LEU  34 -20.209   4.102   4.376
  254   3HD2  LEU  34          3HD2      LEU  34 -18.773   5.104   4.112
  255    H    TYR  35           H        TYR  35 -16.578   1.247   2.668
  256    HA   TYR  35           HA       TYR  35 -14.128   2.515   1.717
  257   1HB   TYR  35          1HB       TYR  35 -12.903   0.327   2.489
  258   2HB   TYR  35          1HB       TYR  35 -13.077   1.702   3.565
  259    HD1  TYR  35          1HD       TYR  35 -13.876  -1.748   2.993
  260    HD2  TYR  35          2HD       TYR  35 -14.824   1.693   5.285
  261    HE1  TYR  35          1HE       TYR  35 -15.009  -3.172   4.650
  262    HE2  TYR  35          2HE       TYR  35 -15.949   0.307   6.942
  263    HH   TYR  35           HH       TYR  35 -16.975  -2.707   6.431
  264    H    GLN  36           H        GLN  36 -12.838   1.223   0.296
  265    HA   GLN  36           HA       GLN  36 -14.494  -0.601  -1.305
  266   1HB   GLN  36          1HB       GLN  36 -12.695   1.679  -2.070
  267   2HB   GLN  36          1HB       GLN  36 -13.299   0.509  -3.245
  268   1HG   GLN  36          1HG       GLN  36 -15.378   1.369  -3.199
  269   2HG   GLN  36          1HG       GLN  36 -15.274   1.815  -1.495
  270   1HE2  GLN  36          1HE2      GLN  36 -14.981   2.848  -4.724
  271   2HE2  GLN  36          2HE2      GLN  36 -14.504   4.479  -4.411
  272    H    ARG  37           H        ARG  37 -13.114  -2.071  -2.746
  273    HA   ARG  37           HA       ARG  37 -10.451  -2.472  -1.590
  274   1HB   ARG  37          1HB       ARG  37 -10.803  -4.876  -1.412
  275   2HB   ARG  37          1HB       ARG  37 -11.910  -3.963  -0.399
  276   1HG   ARG  37          1HG       ARG  37 -13.718  -4.721  -1.476
  277   2HG   ARG  37          1HG       ARG  37 -12.950  -4.606  -3.061
  278   1HD   ARG  37          1HD       ARG  37 -11.701  -6.652  -1.466
  279   2HD   ARG  37          1HD       ARG  37 -13.441  -6.923  -1.570
  280    HE   ARG  37           HE       ARG  37 -12.643  -6.386  -4.136
  281   1HH1  ARG  37          1HH1      ARG  37 -11.783  -8.737  -1.703
  282   2HH1  ARG  37          2HH1      ARG  37 -11.377  -9.965  -2.854
  283   1HH2  ARG  37          1HH2      ARG  37 -12.109  -7.998  -5.651
  284   2HH2  ARG  37          2HH2      ARG  37 -11.563  -9.546  -5.097
  285    H    TYR  38           H        TYR  38  -9.065  -2.404  -2.988
  286    HA   TYR  38           HA       TYR  38  -9.468  -3.185  -5.800
  287   1HB   TYR  38          1HB       TYR  38  -7.098  -1.845  -4.478
  288   2HB   TYR  38          1HB       TYR  38  -7.176  -2.253  -6.180
  289    HD1  TYR  38          1HD       TYR  38  -9.256  -0.414  -3.666
  290    HD2  TYR  38          2HD       TYR  38  -7.643  -0.532  -7.603
  291    HE1  TYR  38          1HE       TYR  38 -10.240   1.791  -4.132
  292    HE2  TYR  38          2HE       TYR  38  -8.628   1.666  -8.080
  293    HH   TYR  38           HH       TYR  38  -9.753   3.404  -7.261
  294    H    GLU  39           H        GLU  39  -8.158  -4.736  -6.865
  295    HA   GLU  39           HA       GLU  39  -6.868  -6.686  -5.099
  296   1HB   GLU  39          1HB       GLU  39  -7.392  -7.064  -8.037
  297   2HB   GLU  39          1HB       GLU  39  -7.203  -8.293  -6.799
  298   1HG   GLU  39          1HG       GLU  39  -9.372  -7.626  -5.852
  299   2HG   GLU  39          1HG       GLU  39  -9.556  -6.448  -7.147
  300    H    ILE  40           H        ILE  40  -4.645  -7.060  -5.258
  301    HA   ILE  40           HA       ILE  40  -3.304  -5.630  -7.463
  302    HB   ILE  40           HB       ILE  40  -1.486  -5.113  -5.756
  303   1HG1  ILE  40          1HG1      ILE  40  -3.627  -5.158  -3.686
  304   2HG1  ILE  40          1HG1      ILE  40  -2.835  -6.681  -4.079
  305   1HG2  ILE  40          1HG2      ILE  40  -2.437  -3.193  -6.370
  306   2HG2  ILE  40          2HG2      ILE  40  -3.146  -3.241  -4.763
  307   3HG2  ILE  40          3HG2      ILE  40  -4.077  -3.790  -6.159
  308   1HD1  ILE  40          1HD1      ILE  40  -0.963  -4.497  -3.663
  309   2HD1  ILE  40          2HD1      ILE  40  -0.986  -6.119  -2.975
  310   3HD1  ILE  40          3HD1      ILE  40  -1.964  -4.841  -2.253
  311    H    LYS  41           H        LYS  41  -1.816  -6.697  -8.475
  312    HA   LYS  41           HA       LYS  41  -1.211  -9.357  -7.867
  313   1HB   LYS  41          1HB       LYS  41  -0.794  -7.627 -10.036
  314   2HB   LYS  41          1HB       LYS  41   0.813  -8.151  -9.558
  315   1HG   LYS  41          1HG       LYS  41  -1.395 -10.128  -9.952
  316   2HG   LYS  41          1HG       LYS  41  -0.462  -9.516 -11.320
  317   1HD   LYS  41          1HD       LYS  41   1.376 -10.703 -10.751
  318   2HD   LYS  41          1HD       LYS  41   1.138 -10.427  -9.023
  319   1HE   LYS  41          1HE       LYS  41  -0.377 -12.404 -10.729
  320   2HE   LYS  41          1HE       LYS  41   0.910 -12.797  -9.589
  321   1HZ   LYS  41          1HZ       LYS  41  -1.026 -13.197  -8.406
  322   2HZ   LYS  41          2HZ       LYS  41  -1.823 -11.840  -9.025
  323   3HZ   LYS  41          3HZ       LYS  41  -0.589 -11.648  -7.883
  324    H    MET  42           H        MET  42  -0.515  -9.160  -5.654
  325    HA   MET  42           HA       MET  42   1.539  -7.653  -4.682
  326   1HB   MET  42          1HB       MET  42  -0.127  -9.024  -3.405
  327   2HB   MET  42          1HB       MET  42   0.862 -10.435  -3.755
  328   1HG   MET  42          1HG       MET  42   2.624  -8.547  -2.698
  329   2HG   MET  42          1HG       MET  42   1.167  -8.434  -1.712
  330   1HE   MET  42          1HE       MET  42   4.562 -10.338  -1.788
  331   2HE   MET  42          2HE       MET  42   3.739 -10.636  -3.319
  332   3HE   MET  42          3HE       MET  42   4.003 -11.962  -2.186
  333    H    THR  43           H        THR  43   3.605  -7.582  -4.959
  334    HA   THR  43           HA       THR  43   4.922  -9.753  -6.372
  335    HB   THR  43           HB       THR  43   6.288  -7.209  -5.612
  336    HG1  THR  43          1HG       THR  43   4.338  -6.608  -6.556
  337   1HG2  THR  43          1HG2      THR  43   7.634  -8.917  -6.708
  338   2HG2  THR  43          2HG2      THR  43   7.434  -7.492  -7.730
  339   3HG2  THR  43          3HG2      THR  43   6.492  -8.948  -8.051
  340    H    LYS  44           H        LYS  44   5.819  -7.706  -3.547
  341    HA   LYS  44           HA       LYS  44   6.590 -10.062  -2.067
  342   1HB   LYS  44          1HB       LYS  44   8.584  -8.887  -3.510
  343   2HB   LYS  44          1HB       LYS  44   8.699  -8.001  -1.998
  344   1HG   LYS  44          1HG       LYS  44   9.249  -9.904  -0.793
  345   2HG   LYS  44          1HG       LYS  44   8.612 -10.987  -2.034
  346   1HD   LYS  44          1HD       LYS  44  10.795  -9.217  -2.911
  347   2HD   LYS  44          1HD       LYS  44  11.243 -10.421  -1.701
  348   1HE   LYS  44          1HE       LYS  44  10.198 -12.160  -3.150
  349   2HE   LYS  44          1HE       LYS  44   9.962 -10.922  -4.383
  350   1HZ   LYS  44          1HZ       LYS  44  12.657 -11.039  -3.397
  351   2HZ   LYS  44          2HZ       LYS  44  12.089 -11.036  -4.990
  352   3HZ   LYS  44          3HZ       LYS  44  12.159 -12.485  -4.121
  353    H    MET  45           H        MET  45   6.476  -9.685   0.156
  354    HA   MET  45           HA       MET  45   5.313  -7.114   0.901
  355   1HB   MET  45          1HB       MET  45   4.649  -8.172   2.993
  356   2HB   MET  45          1HB       MET  45   4.129  -9.153   1.632
  357   1HG   MET  45          1HG       MET  45   6.698  -9.732   3.048
  358   2HG   MET  45          1HG       MET  45   5.158 -10.295   3.691
  359   1HE   MET  45          1HE       MET  45   3.775 -11.005   0.416
  360   2HE   MET  45          2HE       MET  45   3.399 -11.326   2.109
  361   3HE   MET  45          3HE       MET  45   3.814 -12.655   1.025
  362    H    TYR  46           H        TYR  46   6.318  -5.658   2.208
  363    HA   TYR  46           HA       TYR  46   9.095  -6.255   2.874
  364   1HB   TYR  46          1HB       TYR  46   7.610  -3.822   2.032
  365   2HB   TYR  46          1HB       TYR  46   8.996  -3.598   3.069
  366    HD1  TYR  46          1HD       TYR  46  10.579  -2.582   1.568
  367    HD2  TYR  46          2HD       TYR  46   8.573  -6.164   0.441
  368    HE1  TYR  46          1HE       TYR  46  12.041  -2.780  -0.392
  369    HE2  TYR  46          2HE       TYR  46  10.038  -6.368  -1.518
  370    HH   TYR  46           HH       TYR  46  12.774  -4.238  -2.010
  371    H    LYS  47           H        LYS  47   6.130  -4.930   4.180
  372    HA   LYS  47           HA       LYS  47   7.062  -5.566   6.884
  373   1HB   LYS  47          1HB       LYS  47   6.922  -2.996   6.101
  374   2HB   LYS  47          1HB       LYS  47   5.242  -3.238   6.558
  375   1HG   LYS  47          1HG       LYS  47   7.317  -4.140   8.468
  376   2HG   LYS  47          1HG       LYS  47   7.073  -2.402   8.277
  377   1HD   LYS  47          1HD       LYS  47   5.449  -2.663   9.804
  378   2HD   LYS  47          1HD       LYS  47   4.504  -3.315   8.465
  379   1HE   LYS  47          1HE       LYS  47   4.294  -4.916  10.157
  380   2HE   LYS  47          1HE       LYS  47   5.525  -5.571   9.086
  381   1HZ   LYS  47          1HZ       LYS  47   7.151  -4.419  10.676
  382   2HZ   LYS  47          2HZ       LYS  47   6.433  -5.869  11.164
  383   3HZ   LYS  47          3HZ       LYS  47   5.853  -4.397  11.762
  384    H    GLY  48           H        GLY  48   5.676  -6.906   7.838
  385   1HA   GLY  48          2HA       GLY  48   3.033  -6.875   8.226
  386   2HA   GLY  48          1HA       GLY  48   3.125  -7.501   6.586
  387    H    PHE  49           H        PHE  49   5.887  -8.577   7.901
  388    HA   PHE  49           HA       PHE  49   5.438 -11.204   7.864
  389   1HB   PHE  49          1HB       PHE  49   7.153 -10.055  10.054
  390   2HB   PHE  49          1HB       PHE  49   7.404 -11.532   9.132
  391    HD1  PHE  49          1HD       PHE  49   7.601 -11.078   6.490
  392    HD2  PHE  49          2HD       PHE  49   8.499  -8.283   9.571
  393    HE1  PHE  49          1HE       PHE  49   9.081  -9.858   4.948
  394    HE2  PHE  49          2HE       PHE  49   9.979  -7.058   8.034
  395    HZ   PHE  49           HZ       PHE  49  10.272  -7.846   5.719
  396    H    GLN  50           H        GLN  50   5.163  -9.280  10.877
  397    HA   GLN  50           HA       GLN  50   4.296 -11.394  12.504
  398   1HB   GLN  50          1HB       GLN  50   3.449  -9.752  14.051
  399   2HB   GLN  50          1HB       GLN  50   4.965  -9.167  13.382
  400   1HG   GLN  50          1HG       GLN  50   3.832  -7.262  13.122
  401   2HG   GLN  50          1HG       GLN  50   3.203  -8.044  11.672
  402   1HE2  GLN  50          1HE2      GLN  50   2.515  -8.301  15.148
  403   2HE2  GLN  50          2HE2      GLN  50   0.811  -8.064  15.004
  404    H    ALA  51           H        ALA  51   2.665  -9.638  10.037
  405    HA   ALA  51           HA       ALA  51   0.032 -10.691  10.749
  406   1HB   ALA  51          1HB       ALA  51   0.500  -8.267   9.981
  407   2HB   ALA  51          2HB       ALA  51  -0.904  -9.118   9.335
  408   3HB   ALA  51          3HB       ALA  51   0.561  -8.971   8.366
  409    H    LEU  52           H        LEU  52   2.679 -11.571   8.875
  410    HA   LEU  52           HA       LEU  52   1.562 -12.643   6.570
  411   1HB   LEU  52          1HB       LEU  52   3.656 -13.364   6.047
  412   2HB   LEU  52          1HB       LEU  52   4.064 -12.185   7.266
  413    HG   LEU  52           HG       LEU  52   3.877 -14.446   8.784
  414   1HD1  LEU  52          1HD1      LEU  52   3.514 -15.782   6.711
  415   2HD1  LEU  52          2HD1      LEU  52   4.943 -16.258   7.629
  416   3HD1  LEU  52          3HD1      LEU  52   5.115 -15.284   6.169
  417   1HD2  LEU  52          1HD2      LEU  52   5.724 -12.684   8.540
  418   2HD2  LEU  52          2HD2      LEU  52   6.422 -13.766   7.349
  419   3HD2  LEU  52          3HD2      LEU  52   6.193 -14.306   9.012
  420    H    GLY  53           H        GLY  53  -0.277 -13.381   7.633
  421   1HA   GLY  53          2HA       GLY  53  -0.579 -15.479   9.386
  422   2HA   GLY  53          1HA       GLY  53  -1.712 -15.119   8.093
  423    H    ASP  54           H        ASP  54  -0.841 -15.811   5.884
  424    HA   ASP  54           HA       ASP  54   0.038 -18.585   6.148
  425   1HB   ASP  54          1HB       ASP  54  -1.375 -17.194   3.864
  426   2HB   ASP  54          1HB       ASP  54  -0.839 -18.871   3.836
  427    H    ALA  55           H        ALA  55   0.221 -16.346   3.503
  428    HA   ALA  55           HA       ALA  55   3.095 -16.106   3.702
  429   1HB   ALA  55          1HB       ALA  55   2.016 -18.111   2.135
  430   2HB   ALA  55          2HB       ALA  55   3.663 -17.483   2.068
  431   3HB   ALA  55          3HB       ALA  55   2.423 -16.826   0.998
  432    H    ALA  56           H        ALA  56   0.129 -15.500   1.985
  433    HA   ALA  56           HA       ALA  56   1.125 -12.847   1.165
  434   1HB   ALA  56          1HB       ALA  56  -0.984 -14.506  -0.214
  435   2HB   ALA  56          2HB       ALA  56   0.696 -14.369  -0.731
  436   3HB   ALA  56          3HB       ALA  56  -0.348 -12.950  -0.746
  437    H    ASP  57           H        ASP  57   0.420 -12.043   3.228
  438    HA   ASP  57           HA       ASP  57  -2.432 -12.084   3.764
  439   1HB   ASP  57          1HB       ASP  57  -0.351 -12.141   5.441
  440   2HB   ASP  57          1HB       ASP  57  -0.607 -10.399   5.385
  441    H    ILE  58           H        ILE  58  -1.022 -10.462   1.484
  442    HA   ILE  58           HA       ILE  58  -2.685  -8.093   1.908
  443    HB   ILE  58           HB       ILE  58   0.118  -7.679   0.924
  444   1HG1  ILE  58          1HG1      ILE  58  -0.220  -6.778   3.638
  445   2HG1  ILE  58          1HG1      ILE  58  -0.437  -8.514   3.541
  446   1HG2  ILE  58          1HG2      ILE  58  -1.442  -5.651   2.414
  447   2HG2  ILE  58          2HG2      ILE  58  -1.971  -6.072   0.783
  448   3HG2  ILE  58          3HG2      ILE  58  -0.337  -5.463   1.052
  449   1HD1  ILE  58          1HD1      ILE  58   1.761  -8.362   2.104
  450   2HD1  ILE  58          2HD1      ILE  58   1.804  -8.424   3.866
  451   3HD1  ILE  58          3HD1      ILE  58   1.971  -6.880   3.034
  452    H    ARG  59           H        ARG  59  -3.924  -9.229   0.046
  453    HA   ARG  59           HA       ARG  59  -2.456  -8.798  -2.443
  454   1HB   ARG  59          1HB       ARG  59  -4.752 -10.574  -2.628
  455   2HB   ARG  59          1HB       ARG  59  -3.097 -10.810  -3.165
  456   1HG   ARG  59          1HG       ARG  59  -2.973 -11.052  -0.391
  457   2HG   ARG  59          1HG       ARG  59  -4.459 -11.880  -0.854
  458   1HD   ARG  59          1HD       ARG  59  -1.713 -12.369  -1.999
  459   2HD   ARG  59          1HD       ARG  59  -2.555 -13.407  -0.848
  460    HE   ARG  59           HE       ARG  59  -4.242 -13.185  -3.005
  461   1HH1  ARG  59          1HH1      ARG  59  -0.974 -14.283  -2.479
  462   2HH1  ARG  59          2HH1      ARG  59  -1.020 -15.442  -3.763
  463   1HH2  ARG  59          1HH2      ARG  59  -4.309 -14.709  -4.697
  464   2HH2  ARG  59          2HH2      ARG  59  -2.916 -15.684  -5.024
  465    H    PHE  60           H        PHE  60  -4.839  -7.513  -0.621
  466    HA   PHE  60           HA       PHE  60  -5.991  -5.994  -2.775
  467   1HB   PHE  60          1HB       PHE  60  -7.664  -7.350  -0.648
  468   2HB   PHE  60          1HB       PHE  60  -8.251  -6.371  -1.986
  469    HD1  PHE  60          1HD       PHE  60  -8.793  -7.350  -4.032
  470    HD2  PHE  60          2HD       PHE  60  -6.598  -9.587  -1.157
  471    HE1  PHE  60          1HE       PHE  60  -9.115  -9.390  -5.370
  472    HE2  PHE  60          2HE       PHE  60  -6.913 -11.628  -2.500
  473    HZ   PHE  60           HZ       PHE  60  -8.176 -11.526  -4.610
  474    H    VAL  61           H        VAL  61  -6.686  -4.094  -2.168
  475    HA   VAL  61           HA       VAL  61  -5.733  -3.181   0.444
  476    HB   VAL  61           HB       VAL  61  -4.927  -1.305  -0.563
  477   1HG1  VAL  61          1HG1      VAL  61  -4.322  -2.311  -3.077
  478   2HG1  VAL  61          2HG1      VAL  61  -4.412  -3.699  -1.996
  479   3HG1  VAL  61          3HG1      VAL  61  -3.332  -2.360  -1.621
  480   1HG2  VAL  61          1HG2      VAL  61  -5.610  -0.638  -2.952
  481   2HG2  VAL  61          2HG2      VAL  61  -6.733  -0.306  -1.633
  482   3HG2  VAL  61          3HG2      VAL  61  -6.988  -1.702  -2.674
  483    H    TYR  62           H        TYR  62  -7.156  -2.310   1.804
  484    HA   TYR  62           HA       TYR  62  -9.776  -1.541   0.781
  485   1HB   TYR  62          1HB       TYR  62  -8.994  -2.435   3.548
  486   2HB   TYR  62          1HB       TYR  62 -10.613  -1.964   3.055
  487    HD1  TYR  62          1HD       TYR  62  -7.970  -4.224   1.604
  488    HD2  TYR  62          2HD       TYR  62 -12.019  -3.746   2.846
  489    HE1  TYR  62          1HE       TYR  62  -8.450  -6.527   0.920
  490    HE2  TYR  62          2HE       TYR  62 -12.504  -6.054   2.158
  491    HH   TYR  62           HH       TYR  62 -11.198  -8.196   1.834
  492    H    THR  63           H        THR  63  -9.924   0.496   0.459
  493    HA   THR  63           HA       THR  63  -9.055   2.426   2.528
  494    HB   THR  63           HB       THR  63  -7.922   3.018   0.506
  495    HG1  THR  63          1HG       THR  63 -10.217   4.631   0.338
  496   1HG2  THR  63          1HG2      THR  63  -9.718   3.570  -1.466
  497   2HG2  THR  63          2HG2      THR  63 -10.358   2.071  -0.791
  498   3HG2  THR  63          3HG2      THR  63  -8.699   2.132  -1.391
  499    HA   PRO  64           HA       PRO  64 -13.355   3.189   3.208
  500   1HB   PRO  64          1HB       PRO  64 -12.881   6.014   3.623
  501   2HB   PRO  64          1HB       PRO  64 -13.425   4.787   4.760
  502   1HG   PRO  64          1HG       PRO  64 -10.949   5.916   4.861
  503   2HG   PRO  64          1HG       PRO  64 -11.298   4.276   5.430
  504   1HD   PRO  64          1HD       PRO  64  -9.968   5.173   2.919
  505   2HD   PRO  64          1HD       PRO  64  -9.668   3.726   3.901
  506    H    ALA  65           H        ALA  65 -15.112   3.881   2.287
  507    HA   ALA  65           HA       ALA  65 -15.035   5.415  -0.131
  508   1HB   ALA  65          1HB       ALA  65 -16.768   3.091   0.593
  509   2HB   ALA  65          2HB       ALA  65 -15.512   3.133  -0.633
  510   3HB   ALA  65          3HB       ALA  65 -16.988   4.066  -0.860
  511    H    MET  66           H        MET  66 -15.294   6.852   2.137
  512    HA   MET  66           HA       MET  66 -18.172   7.352   2.445
  513   1HB   MET  66          1HB       MET  66 -15.882   8.357   4.134
  514   2HB   MET  66          1HB       MET  66 -17.592   8.563   4.476
  515   1HG   MET  66          1HG       MET  66 -17.755   6.560   5.399
  516   2HG   MET  66          1HG       MET  66 -16.863   5.785   4.095
  517   1HE   MET  66          1HE       MET  66 -15.326   7.740   7.867
  518   2HE   MET  66          2HE       MET  66 -16.331   6.306   8.081
  519   3HE   MET  66          3HE       MET  66 -16.957   7.697   7.195
  520    H    GLU  67           H        GLU  67 -18.692   9.730   2.859
  521    HA   GLU  67           HA       GLU  67 -18.117  11.201   0.537
  522   1HB   GLU  67          1HB       GLU  67 -19.523  11.722   3.104
  523   2HB   GLU  67          1HB       GLU  67 -19.049  13.123   2.152
  524   1HG   GLU  67          1HG       GLU  67 -21.147  12.745   1.341
  525   2HG   GLU  67          1HG       GLU  67 -20.185  11.805   0.201
  526    H    SER  68           H        SER  68 -17.207  11.997   3.905
  527    HA   SER  68           HA       SER  68 -14.950  13.551   2.844
  528   1HB   SER  68          1HB       SER  68 -16.589  13.733   5.336
  529   2HB   SER  68          1HB       SER  68 -14.924  14.312   5.374
  530    HG   SER  68           HG       SER  68 -16.049  15.252   3.165
  531    H    VAL  69           H        VAL  69 -13.866  11.499   2.450
  532    HA   VAL  69           HA       VAL  69 -12.330  10.657   4.794
  533    HB   VAL  69           HB       VAL  69 -14.235   9.066   4.228
  534   1HG1  VAL  69          1HG1      VAL  69 -14.367   8.691   2.003
  535   2HG1  VAL  69          2HG1      VAL  69 -13.304   7.354   2.422
  536   3HG1  VAL  69          3HG1      VAL  69 -12.633   8.833   1.747
  537   1HG2  VAL  69          1HG2      VAL  69 -11.855   7.394   4.090
  538   2HG2  VAL  69          2HG2      VAL  69 -13.097   7.503   5.328
  539   3HG2  VAL  69          3HG2      VAL  69 -11.765   8.656   5.316
  540    H    CYS  70           H        CYS  70 -11.083   8.590   3.051
  541    HA   CYS  70           HA       CYS  70  -9.218  10.329   1.679
  542   1HB   CYS  70          1HB       CYS  70  -8.554   7.529   1.539
  543   2HB   CYS  70          1HB       CYS  70  -7.641   8.833   2.279
  544    H    GLY  71           H        GLY  71 -10.710   7.240   1.189
  545   1HA   GLY  71          2HA       GLY  71 -11.733   6.342  -0.706
  546   2HA   GLY  71          1HA       GLY  71 -12.022   8.003  -1.228
  547    H    TYR  72           H        TYR  72  -9.471   5.676  -0.821
  548    HA   TYR  72           HA       TYR  72  -7.635   6.907  -2.568
  549   1HB   TYR  72          1HB       TYR  72  -7.043   5.295  -0.755
  550   2HB   TYR  72          1HB       TYR  72  -7.760   4.014  -1.720
  551    HD1  TYR  72          1HD       TYR  72  -5.009   6.480  -1.617
  552    HD2  TYR  72          2HD       TYR  72  -6.561   2.978  -3.465
  553    HE1  TYR  72          1HE       TYR  72  -2.854   6.128  -2.746
  554    HE2  TYR  72          2HE       TYR  72  -4.414   2.614  -4.597
  555    HH   TYR  72           HH       TYR  72  -2.401   3.499  -5.073
  556    H    PHE  73           H        PHE  73  -8.474   7.390  -4.400
  557    HA   PHE  73           HA       PHE  73  -9.552   5.286  -6.072
  558   1HB   PHE  73          1HB       PHE  73  -9.741   8.217  -6.152
  559   2HB   PHE  73          1HB       PHE  73  -9.480   7.468  -7.725
  560    HD1  PHE  73          1HD       PHE  73 -11.704   7.306  -4.725
  561    HD2  PHE  73          2HD       PHE  73 -11.242   6.508  -8.884
  562    HE1  PHE  73          1HE       PHE  73 -14.092   6.717  -4.881
  563    HE2  PHE  73          2HE       PHE  73 -13.624   5.923  -9.044
  564    HZ   PHE  73           HZ       PHE  73 -15.054   6.027  -7.042
  565    H    HIS  74           H        HIS  74  -8.205   4.040  -6.804
  566    HA   HIS  74           HA       HIS  74  -5.580   5.060  -7.552
  567   1HB   HIS  74          1HB       HIS  74  -5.209   3.285  -6.205
  568   2HB   HIS  74          1HB       HIS  74  -6.608   2.392  -6.762
  569    HD1  HIS  74          1HD       HIS  74  -2.989   2.608  -7.069
  570    HD2  HIS  74          2HD       HIS  74  -6.096   1.218  -9.455
  571    HE1  HIS  74          1HE       HIS  74  -1.903   1.148  -8.808
  572    HE2  HIS  74          2HE       HIS  74  -3.790   0.406 -10.299
  573    H    ARG  75           H        ARG  75  -4.839   5.221  -9.494
  574    HA   ARG  75           HA       ARG  75  -6.401   4.072 -11.698
  575   1HB   ARG  75          1HB       ARG  75  -5.309   6.883 -11.702
  576   2HB   ARG  75          1HB       ARG  75  -6.346   6.142 -12.913
  577   1HG   ARG  75          1HG       ARG  75  -7.231   6.471 -10.064
  578   2HG   ARG  75          1HG       ARG  75  -7.422   7.756 -11.257
  579   1HD   ARG  75          1HD       ARG  75  -9.260   6.787 -12.045
  580   2HD   ARG  75          1HD       ARG  75  -8.363   5.307 -12.380
  581    HE   ARG  75           HE       ARG  75  -9.039   5.482  -9.630
  582   1HH1  ARG  75          1HH1      ARG  75 -10.401   4.786 -12.769
  583   2HH1  ARG  75          2HH1      ARG  75 -11.653   3.768 -12.139
  584   1HH2  ARG  75          1HH2      ARG  75 -10.691   4.146  -8.802
  585   2HH2  ARG  75          2HH2      ARG  75 -11.817   3.404  -9.889
  586    H    SER  76           H        SER  76  -4.668   2.501 -11.626
  587    HA   SER  76           HA       SER  76  -2.555   3.236 -13.471
  588   1HB   SER  76          1HB       SER  76  -1.878   1.860 -10.852
  589   2HB   SER  76          1HB       SER  76  -0.752   2.296 -12.137
  590    HG   SER  76           HG       SER  76  -0.582   4.151 -11.191
  591    H    HIS  77           H        HIS  77  -3.981   1.972 -14.782
  592    HA   HIS  77           HA       HIS  77  -4.762  -0.652 -14.287
  593   1HB   HIS  77          1HB       HIS  77  -5.394   1.059 -16.189
  594   2HB   HIS  77          1HB       HIS  77  -4.142   0.199 -17.079
  595    HD1  HIS  77          1HD       HIS  77  -7.585  -0.173 -15.732
  596    HD2  HIS  77          2HD       HIS  77  -4.756  -2.482 -17.712
  597    HE1  HIS  77          1HE       HIS  77  -8.817  -2.220 -16.514
  598    HE2  HIS  77          2HE       HIS  77  -7.057  -3.657 -17.603
  599    H    ASN  78           H        ASN  78  -1.622   0.437 -14.784
  600    HA   ASN  78           HA       ASN  78  -0.541  -1.600 -16.370
  601   1HB   ASN  78          1HB       ASN  78   0.446   0.665 -15.327
  602   2HB   ASN  78          1HB       ASN  78   1.117  -0.483 -14.173
  603   1HD2  ASN  78          1HD2      ASN  78   1.680  -2.631 -15.733
  604   2HD2  ASN  78          2HD2      ASN  78   2.864  -2.218 -16.915
  605    H    ARG  79           H        ARG  79  -0.946  -3.690 -15.903
  606    HA   ARG  79           HA       ARG  79  -1.048  -4.681 -13.213
  607   1HB   ARG  79          1HB       ARG  79  -1.196  -6.942 -14.582
  608   2HB   ARG  79          1HB       ARG  79  -2.562  -5.843 -14.468
  609   1HG   ARG  79          1HG       ARG  79  -2.547  -5.414 -16.662
  610   2HG   ARG  79          1HG       ARG  79  -0.790  -5.276 -16.723
  611   1HD   ARG  79          1HD       ARG  79  -0.585  -7.699 -16.764
  612   2HD   ARG  79          1HD       ARG  79  -2.336  -7.864 -16.641
  613    HE   ARG  79           HE       ARG  79  -2.514  -7.370 -18.878
  614   1HH1  ARG  79          1HH1      ARG  79   0.716  -6.611 -17.793
  615   2HH1  ARG  79          2HH1      ARG  79   1.325  -6.345 -19.392
  616   1HH2  ARG  79          1HH2      ARG  79  -1.713  -7.016 -20.983
  617   2HH2  ARG  79          2HH2      ARG  79  -0.052  -6.574 -21.202
  618    H    SER  80           H        SER  80   1.416  -4.330 -15.527
  619    HA   SER  80           HA       SER  80   3.148  -6.313 -14.218
  620   1HB   SER  80          1HB       SER  80   4.623  -5.956 -16.194
  621   2HB   SER  80          1HB       SER  80   3.017  -6.542 -16.633
  622    HG   SER  80           HG       SER  80   3.667  -3.788 -16.594
  623    H    GLU  81           H        GLU  81   2.461  -2.983 -14.076
  624    HA   GLU  81           HA       GLU  81   5.257  -2.255 -13.618
  625   1HB   GLU  81          1HB       GLU  81   3.387  -0.696 -14.583
  626   2HB   GLU  81          1HB       GLU  81   2.990  -0.434 -12.890
  627   1HG   GLU  81          1HG       GLU  81   4.511   1.203 -13.004
  628   2HG   GLU  81          1HG       GLU  81   5.683  -0.106 -12.871
  629    H    GLU  82           H        GLU  82   6.240  -2.587 -11.728
  630    HA   GLU  82           HA       GLU  82   4.828  -3.543  -9.459
  631   1HB   GLU  82          1HB       GLU  82   7.487  -2.737  -8.747
  632   2HB   GLU  82          1HB       GLU  82   6.800  -4.347  -8.840
  633   1HG   GLU  82          1HG       GLU  82   7.270  -4.185 -11.360
  634   2HG   GLU  82          1HG       GLU  82   8.301  -2.823 -10.930
  635    H    PHE  83           H        PHE  83   4.380  -2.659  -7.592
  636    HA   PHE  83           HA       PHE  83   4.870   0.209  -7.260
  637   1HB   PHE  83          1HB       PHE  83   2.309  -1.260  -7.177
  638   2HB   PHE  83          1HB       PHE  83   2.525   0.015  -5.989
  639    HD1  PHE  83          1HD       PHE  83   2.859  -0.633  -9.643
  640    HD2  PHE  83          2HD       PHE  83   2.021   2.187  -6.568
  641    HE1  PHE  83          1HE       PHE  83   2.281   1.045 -11.347
  642    HE2  PHE  83          2HE       PHE  83   1.438   3.868  -8.266
  643    HZ   PHE  83           HZ       PHE  83   1.572   3.300 -10.659
  644    H    LEU  84           H        LEU  84   4.041   0.851  -5.080
  645    HA   LEU  84           HA       LEU  84   5.149  -0.897  -2.960
  646   1HB   LEU  84          1HB       LEU  84   6.913   0.613  -3.203
  647   2HB   LEU  84          1HB       LEU  84   5.852   1.980  -3.431
  648    HG   LEU  84           HG       LEU  84   5.551   2.304  -1.160
  649   1HD1  LEU  84          1HD1      LEU  84   4.736   0.316  -0.282
  650   2HD1  LEU  84          2HD1      LEU  84   6.283   0.512   0.526
  651   3HD1  LEU  84          3HD1      LEU  84   6.137  -0.605  -0.826
  652   1HD2  LEU  84          1HD2      LEU  84   7.839   2.741  -1.686
  653   2HD2  LEU  84          2HD2      LEU  84   8.254   1.048  -1.415
  654   3HD2  LEU  84          3HD2      LEU  84   7.723   2.055  -0.066
  655    H    ILE  85           H        ILE  85   3.901  -1.159  -1.242
  656    HA   ILE  85           HA       ILE  85   1.687   0.755  -0.911
  657    HB   ILE  85           HB       ILE  85   1.591  -2.259  -0.707
  658   1HG1  ILE  85          1HG1      ILE  85  -0.390  -0.895  -2.359
  659   2HG1  ILE  85          1HG1      ILE  85   1.254  -0.530  -2.871
  660   1HG2  ILE  85          1HG2      ILE  85  -0.412  -0.174   0.122
  661   2HG2  ILE  85          2HG2      ILE  85   0.197  -1.548   1.046
  662   3HG2  ILE  85          3HG2      ILE  85  -0.891  -1.813  -0.317
  663   1HD1  ILE  85          1HD1      ILE  85  -0.302  -2.861  -3.331
  664   2HD1  ILE  85          2HD1      ILE  85   1.142  -3.300  -2.423
  665   3HD1  ILE  85          3HD1      ILE  85   1.291  -2.448  -3.957
  666    H    ALA  86           H        ALA  86   2.024   1.795   0.783
  667    HA   ALA  86           HA       ALA  86   2.989   0.582   3.332
  668   1HB   ALA  86          1HB       ALA  86   2.591   3.541   2.845
  669   2HB   ALA  86          2HB       ALA  86   4.134   2.725   2.594
  670   3HB   ALA  86          3HB       ALA  86   3.411   2.776   4.202
  671    H    GLY  87           H        GLY  87   1.366  -0.112   4.546
  672   1HA   GLY  87          2HA       GLY  87  -0.880   1.445   5.293
  673   2HA   GLY  87          1HA       GLY  87  -1.372   0.258   4.095
  674    H    LYS  88           H        LYS  88  -2.046   0.546   7.008
  675    HA   LYS  88           HA       LYS  88  -0.855  -1.700   8.352
  676   1HB   LYS  88          1HB       LYS  88  -1.515   0.175   9.700
  677   2HB   LYS  88          1HB       LYS  88  -3.112   0.204   8.990
  678   1HG   LYS  88          1HG       LYS  88  -3.860  -1.583  10.270
  679   2HG   LYS  88          1HG       LYS  88  -2.226  -2.154  10.597
  680   1HD   LYS  88          1HD       LYS  88  -2.238  -1.048  12.517
  681   2HD   LYS  88          1HD       LYS  88  -2.380   0.466  11.625
  682   1HE   LYS  88          1HE       LYS  88  -4.620   0.633  11.998
  683   2HE   LYS  88          1HE       LYS  88  -4.858  -1.112  12.026
  684   1HZ   LYS  88          1HZ       LYS  88  -4.886  -0.996  14.225
  685   2HZ   LYS  88          2HZ       LYS  88  -4.533   0.658  14.198
  686   3HZ   LYS  88          3HZ       LYS  88  -3.276  -0.474  14.222
  687    H    LEU  89           H        LEU  89  -2.501  -3.402   9.359
  688    HA   LEU  89           HA       LEU  89  -4.363  -4.206   7.201
  689   1HB   LEU  89          1HB       LEU  89  -2.403  -5.751   8.793
  690   2HB   LEU  89          1HB       LEU  89  -3.934  -6.539   8.479
  691    HG   LEU  89           HG       LEU  89  -1.942  -5.574   6.420
  692   1HD1  LEU  89          1HD1      LEU  89  -2.972  -8.344   7.006
  693   2HD1  LEU  89          2HD1      LEU  89  -1.445  -7.711   7.615
  694   3HD1  LEU  89          3HD1      LEU  89  -1.693  -7.900   5.878
  695   1HD2  LEU  89          1HD2      LEU  89  -4.107  -7.186   5.423
  696   2HD2  LEU  89          2HD2      LEU  89  -3.468  -5.663   4.830
  697   3HD2  LEU  89          3HD2      LEU  89  -4.677  -5.674   6.110
  698    H    GLN  90           H        GLN  90  -6.414  -4.460   7.687
  699    HA   GLN  90           HA       GLN  90  -7.261  -4.424  10.497
  700   1HB   GLN  90          1HB       GLN  90  -8.227  -2.782   8.754
  701   2HB   GLN  90          1HB       GLN  90  -9.149  -4.168   8.183
  702   1HG   GLN  90          1HG       GLN  90 -10.524  -2.933   9.682
  703   2HG   GLN  90          1HG       GLN  90 -10.059  -4.436  10.478
  704   1HE2  GLN  90          1HE2      GLN  90  -8.564  -4.366  12.188
  705   2HE2  GLN  90          2HE2      GLN  90  -8.240  -2.902  13.046
  706    H    ASP  91           H        ASP  91  -7.586  -6.318  11.430
  707    HA   ASP  91           HA       ASP  91  -7.823  -8.608  11.615
  708   1HB   ASP  91          1HB       ASP  91 -10.335  -7.480  10.446
  709   2HB   ASP  91          1HB       ASP  91 -10.216  -9.214  10.732
  710    H    GLY  92           H        GLY  92  -6.446  -7.838   9.123
  711   1HA   GLY  92          2HA       GLY  92  -5.654  -9.847   7.804
  712   2HA   GLY  92          1HA       GLY  92  -7.351 -10.041   7.386
  713    H    LEU  93           H        LEU  93  -8.282  -7.754   6.706
  714    HA   LEU  93           HA       LEU  93  -7.224  -7.302   4.162
  715   1HB   LEU  93          1HB       LEU  93  -9.274  -5.715   5.704
  716   2HB   LEU  93          1HB       LEU  93  -8.996  -5.592   3.981
  717    HG   LEU  93           HG       LEU  93 -10.882  -6.915   4.089
  718   1HD1  LEU  93          1HD1      LEU  93 -10.273  -9.129   3.405
  719   2HD1  LEU  93          2HD1      LEU  93  -8.689  -8.975   4.167
  720   3HD1  LEU  93          3HD1      LEU  93  -9.091  -7.988   2.762
  721   1HD2  LEU  93          1HD2      LEU  93 -11.536  -7.682   6.064
  722   2HD2  LEU  93          2HD2      LEU  93  -9.901  -7.574   6.708
  723   3HD2  LEU  93          3HD2      LEU  93 -10.419  -9.031   5.862
  724    H    LEU  94           H        LEU  94  -6.103  -5.749   3.268
  725    HA   LEU  94           HA       LEU  94  -4.495  -4.059   4.913
  726   1HB   LEU  94          1HB       LEU  94  -3.644  -5.084   2.843
  727   2HB   LEU  94          1HB       LEU  94  -4.771  -4.115   1.913
  728    HG   LEU  94           HG       LEU  94  -3.639  -2.067   2.688
  729   1HD1  LEU  94          1HD1      LEU  94  -1.182  -3.020   3.610
  730   2HD1  LEU  94          2HD1      LEU  94  -2.399  -3.918   4.517
  731   3HD1  LEU  94          3HD1      LEU  94  -2.408  -2.155   4.534
  732   1HD2  LEU  94          1HD2      LEU  94  -2.984  -3.301   0.599
  733   2HD2  LEU  94          2HD2      LEU  94  -1.650  -3.986   1.521
  734   3HD2  LEU  94          3HD2      LEU  94  -1.749  -2.252   1.286
  735    H    HIS  95           H        HIS  95  -4.318  -1.828   4.759
  736    HA   HIS  95           HA       HIS  95  -6.681  -0.448   3.759
  737   1HB   HIS  95          1HB       HIS  95  -5.677  -0.302   6.587
  738   2HB   HIS  95          1HB       HIS  95  -6.608   1.010   5.869
  739    HD1  HIS  95          1HD       HIS  95  -8.985   0.860   6.486
  740    HD2  HIS  95          2HD       HIS  95  -7.269  -2.898   6.077
  741    HE1  HIS  95          1HE       HIS  95 -10.834  -0.780   6.957
  742    HE2  HIS  95          2HE       HIS  95  -9.767  -3.049   6.725
  743    H    ILE  96           H        ILE  96  -6.329   1.498   2.924
  744    HA   ILE  96           HA       ILE  96  -3.688   2.713   3.241
  745    HB   ILE  96           HB       ILE  96  -3.513   3.151   0.826
  746   1HG1  ILE  96          1HG1      ILE  96  -5.975   2.911   0.363
  747   2HG1  ILE  96          1HG1      ILE  96  -4.924   2.099  -0.789
  748   1HG2  ILE  96          1HG2      ILE  96  -2.690   0.984   2.121
  749   2HG2  ILE  96          2HG2      ILE  96  -2.400   1.227   0.399
  750   3HG2  ILE  96          3HG2      ILE  96  -3.730   0.200   0.932
  751   1HD1  ILE  96          1HD1      ILE  96  -7.028   0.890   0.039
  752   2HD1  ILE  96          2HD1      ILE  96  -6.102   0.590   1.503
  753   3HD1  ILE  96          3HD1      ILE  96  -5.513   0.007  -0.037
  754    H    THR  97           H        THR  97  -3.660   4.955   2.674
  755    HA   THR  97           HA       THR  97  -6.275   6.189   2.267
  756    HB   THR  97           HB       THR  97  -5.883   7.770   4.134
  757    HG1  THR  97          1HG       THR  97  -3.595   7.533   4.216
  758   1HG2  THR  97          1HG2      THR  97  -5.606   5.469   5.789
  759   2HG2  THR  97          2HG2      THR  97  -6.625   5.068   4.407
  760   3HG2  THR  97          3HG2      THR  97  -7.047   6.426   5.447
  761    H    THR  98           H        THR  98  -6.211   8.171   1.271
  762    HA   THR  98           HA       THR  98  -4.051   8.682  -0.422
  763    HB   THR  98           HB       THR  98  -6.011   9.528  -1.255
  764    HG1  THR  98          1HG       THR  98  -5.004  11.869  -0.036
  765   1HG2  THR  98          1HG2      THR  98  -7.692  10.740  -0.163
  766   2HG2  THR  98          2HG2      THR  98  -6.664  11.055   1.230
  767   3HG2  THR  98          3HG2      THR  98  -7.241   9.435   0.917
  768    H    CYS  99           H        CYS  99  -4.189   9.201   2.836
  769    HA   CYS  99           HA       CYS  99  -2.074  11.252   2.672
  770   1HB   CYS  99          1HB       CYS  99  -4.037  12.073   3.962
  771   2HB   CYS  99          1HB       CYS  99  -3.794  10.781   5.120
  772    H    SER 100           H        SER 100  -1.886   8.432   2.296
  773    HA   SER 100           HA       SER 100   0.015   7.766   4.432
  774   1HB   SER 100          1HB       SER 100  -2.148   6.098   3.228
  775   2HB   SER 100          1HB       SER 100  -0.611   5.304   3.571
  776    HG   SER 100           HG       SER 100  -2.518   5.767   5.269
  777    H    PHE 101           H        PHE 101   1.817   6.368   3.623
  778    HA   PHE 101           HA       PHE 101   2.725   7.392   1.117
  779   1HB   PHE 101          1HB       PHE 101   4.264   6.911   2.995
  780   2HB   PHE 101          1HB       PHE 101   3.998   5.189   2.735
  781    HD1  PHE 101          1HD       PHE 101   5.802   8.121   1.721
  782    HD2  PHE 101          2HD       PHE 101   4.692   4.189   0.533
  783    HE1  PHE 101          1HE       PHE 101   7.597   8.127   0.038
  784    HE2  PHE 101          2HE       PHE 101   6.487   4.186  -1.150
  785    HZ   PHE 101           HZ       PHE 101   7.942   6.158  -1.399
  786    H    VAL 102           H        VAL 102   1.798   6.657  -0.755
  787    HA   VAL 102           HA       VAL 102   1.923   3.776  -1.246
  788    HB   VAL 102           HB       VAL 102  -0.635   5.290  -1.781
  789   1HG1  VAL 102          1HG1      VAL 102  -1.578   3.118  -2.233
  790   2HG1  VAL 102          2HG1      VAL 102  -0.061   2.332  -1.797
  791   3HG1  VAL 102          3HG1      VAL 102  -0.143   3.353  -3.232
  792   1HG2  VAL 102          1HG2      VAL 102  -1.626   4.262   0.124
  793   2HG2  VAL 102          2HG2      VAL 102  -0.141   5.034   0.669
  794   3HG2  VAL 102          3HG2      VAL 102  -0.187   3.289   0.426
  795    H    ALA 103           H        ALA 103   3.340   3.901  -2.916
  796    HA   ALA 103           HA       ALA 103   2.337   4.869  -5.444
  797   1HB   ALA 103          1HB       ALA 103   3.531   6.797  -4.030
  798   2HB   ALA 103          2HB       ALA 103   3.567   6.718  -5.791
  799   3HB   ALA 103          3HB       ALA 103   4.938   6.124  -4.854
  800    HA   PRO 104           HA       PRO 104   4.963   2.010  -7.572
  801   1HB   PRO 104          1HB       PRO 104   6.521   4.236  -8.753
  802   2HB   PRO 104          1HB       PRO 104   5.744   2.865  -9.547
  803   1HG   PRO 104          1HG       PRO 104   4.674   5.298  -9.652
  804   2HG   PRO 104          1HG       PRO 104   3.647   3.873  -9.462
  805   1HD   PRO 104          1HD       PRO 104   4.455   5.909  -7.434
  806   2HD   PRO 104          1HD       PRO 104   2.923   5.029  -7.594
  807    H    TRP 105           H        TRP 105   6.507   0.853  -6.697
  808    HA   TRP 105           HA       TRP 105   8.631   1.681  -5.092
  809   1HB   TRP 105          1HB       TRP 105   7.833  -0.666  -5.629
  810   2HB   TRP 105          1HB       TRP 105   8.611  -0.528  -7.167
  811    HD1  TRP 105           HD       TRP 105  10.681  -1.891  -7.203
  812    HE1  TRP 105          1HE       TRP 105  12.539  -2.470  -5.558
  813    HE3  TRP 105          3HE       TRP 105   8.997   0.693  -3.122
  814    HZ2  TRP 105          2HZ       TRP 105  13.214  -1.935  -2.879
  815    HZ3  TRP 105          3HZ       TRP 105  10.328   0.607  -1.042
  816    HH2  TRP 105           HH       TRP 105  12.413  -0.684  -0.966
  817    H    ASN 106           H        ASN 106   8.346   0.943  -8.482
  818    HA   ASN 106           HA       ASN 106  10.815   1.642  -9.299
  819   1HB   ASN 106          1HB       ASN 106   8.326   1.685 -10.964
  820   2HB   ASN 106          1HB       ASN 106   9.971   1.603 -11.589
  821   1HD2  ASN 106          1HD2      ASN 106  11.266  -0.244 -10.876
  822   2HD2  ASN 106          2HD2      ASN 106  10.482  -1.770 -10.679
  823    H    SER 107           H        SER 107   9.292   3.821  -7.816
  824    HA   SER 107           HA       SER 107  10.119   5.985  -9.610
  825   1HB   SER 107          1HB       SER 107   7.741   5.935  -7.757
  826   2HB   SER 107          1HB       SER 107   8.421   7.444  -8.364
  827    HG   SER 107           HG       SER 107   8.008   6.698 -10.479
  828    H    LEU 108           H        LEU 108  10.670   4.345  -7.009
  829    HA   LEU 108           HA       LEU 108  11.610   6.350  -5.181
  830   1HB   LEU 108          1HB       LEU 108  11.454   3.415  -5.257
  831   2HB   LEU 108          1HB       LEU 108  12.519   4.138  -4.085
  832    HG   LEU 108           HG       LEU 108  10.367   5.530  -3.467
  833   1HD1  LEU 108          1HD1      LEU 108   8.686   3.268  -3.824
  834   2HD1  LEU 108          2HD1      LEU 108   9.347   3.711  -5.394
  835   3HD1  LEU 108          3HD1      LEU 108   8.470   4.905  -4.443
  836   1HD2  LEU 108          1HD2      LEU 108  11.716   3.451  -2.369
  837   2HD2  LEU 108          2HD2      LEU 108  10.088   2.783  -2.504
  838   3HD2  LEU 108          3HD2      LEU 108  10.355   4.284  -1.621
  839    H    SER 109           H        SER 109  13.675   5.782  -4.133
  840    HA   SER 109           HA       SER 109  15.842   6.075  -6.067
  841   1HB   SER 109          1HB       SER 109  16.258   6.116  -3.112
  842   2HB   SER 109          1HB       SER 109  17.171   6.929  -4.361
  843    HG   SER 109           HG       SER 109  14.514   7.553  -3.574
  844    H    LEU 110           H        LEU 110  16.925   4.568  -6.737
  845    HA   LEU 110           HA       LEU 110  16.892   1.949  -6.304
  846   1HB   LEU 110          1HB       LEU 110  19.094   1.866  -7.190
  847   2HB   LEU 110          1HB       LEU 110  18.318   3.295  -7.845
  848    HG   LEU 110           HG       LEU 110  20.485   3.950  -7.298
  849   1HD1  LEU 110          1HD1      LEU 110  19.815   5.211  -4.904
  850   2HD1  LEU 110          2HD1      LEU 110  18.362   5.154  -5.896
  851   3HD1  LEU 110          3HD1      LEU 110  19.828   5.874  -6.532
  852   1HD2  LEU 110          1HD2      LEU 110  21.561   2.519  -5.967
  853   2HD2  LEU 110          2HD2      LEU 110  20.137   2.215  -4.979
  854   3HD2  LEU 110          3HD2      LEU 110  21.103   3.668  -4.712
  855    H    ALA 111           H        ALA 111  18.313   4.315  -4.154
  856    HA   ALA 111           HA       ALA 111  19.511   2.367  -2.454
  857   1HB   ALA 111          1HB       ALA 111  20.053   5.000  -2.915
  858   2HB   ALA 111          2HB       ALA 111  20.647   4.074  -1.532
  859   3HB   ALA 111          3HB       ALA 111  19.201   5.070  -1.371
  860    H    GLN 112           H        GLN 112  16.596   4.287  -2.682
  861    HA   GLN 112           HA       GLN 112  15.564   3.549  -0.079
  862   1HB   GLN 112          1HB       GLN 112  14.076   4.646  -2.481
  863   2HB   GLN 112          1HB       GLN 112  13.520   4.643  -0.819
  864   1HG   GLN 112          1HG       GLN 112  15.462   6.403  -2.175
  865   2HG   GLN 112          1HG       GLN 112  14.061   6.825  -1.226
  866   1HE2  GLN 112          1HE2      GLN 112  14.750   7.983   0.422
  867   2HE2  GLN 112          2HE2      GLN 112  16.076   7.589   1.459
  868    H    ARG 113           H        ARG 113  16.110   2.088  -2.935
  869    HA   ARG 113           HA       ARG 113  13.732   0.455  -3.011
  870   1HB   ARG 113          1HB       ARG 113  15.826   1.003  -4.779
  871   2HB   ARG 113          1HB       ARG 113  16.108  -0.666  -4.276
  872   1HG   ARG 113          1HG       ARG 113  14.670  -1.199  -5.896
  873   2HG   ARG 113          1HG       ARG 113  13.435  -0.626  -4.786
  874   1HD   ARG 113          1HD       ARG 113  12.878   0.967  -6.184
  875   2HD   ARG 113          1HD       ARG 113  14.518   1.633  -6.046
  876    HE   ARG 113           HE       ARG 113  15.157   0.351  -7.954
  877   1HH1  ARG 113          1HH1      ARG 113  11.728   0.363  -7.318
  878   2HH1  ARG 113          2HH1      ARG 113  11.312  -0.165  -8.905
  879   1HH2  ARG 113          1HH2      ARG 113  14.607  -0.370 -10.037
  880   2HH2  ARG 113          2HH2      ARG 113  12.942  -0.591 -10.448
  881    H    ARG 114           H        ARG 114  17.098   0.413  -1.849
  882    HA   ARG 114           HA       ARG 114  16.703  -2.140  -0.573
  883   1HB   ARG 114          1HB       ARG 114  18.912  -2.092   0.153
  884   2HB   ARG 114          1HB       ARG 114  18.992  -1.251  -1.387
  885   1HG   ARG 114          1HG       ARG 114  20.326   0.017  -0.002
  886   2HG   ARG 114          1HG       ARG 114  18.794   0.877   0.068
  887   1HD   ARG 114          1HD       ARG 114  18.256  -0.136   2.183
  888   2HD   ARG 114          1HD       ARG 114  19.631  -1.214   2.048
  889    HE   ARG 114           HE       ARG 114  20.861   0.417   3.059
  890   1HH1  ARG 114          1HH1      ARG 114  18.322   2.003   1.275
  891   2HH1  ARG 114          2HH1      ARG 114  18.785   3.585   1.772
  892   1HH2  ARG 114          1HH2      ARG 114  21.464   2.505   3.727
  893   2HH2  ARG 114          2HH2      ARG 114  20.564   3.874   3.165
  894    H    GLY 115           H        GLY 115  17.054   1.233   0.459
  895   1HA   GLY 115          2HA       GLY 115  16.966   1.059   3.154
  896   2HA   GLY 115          1HA       GLY 115  16.127   2.317   2.277
  897    H    PHE 116           H        PHE 116  14.110   0.551   1.004
  898    HA   PHE 116           HA       PHE 116  12.606   0.270   3.461
  899   1HB   PHE 116          1HB       PHE 116  11.864  -0.263   0.587
  900   2HB   PHE 116          1HB       PHE 116  10.811  -0.757   1.895
  901    HD1  PHE 116          1HD       PHE 116   9.858   0.960   3.380
  902    HD2  PHE 116          2HD       PHE 116  11.920   1.964  -0.165
  903    HE1  PHE 116          1HE       PHE 116   8.806   3.186   3.424
  904    HE2  PHE 116          2HE       PHE 116  10.916   4.202  -0.123
  905    HZ   PHE 116           HZ       PHE 116   9.341   4.815   1.658
  906    H    THR 117           H        THR 117  13.597  -1.887   0.872
  907    HA   THR 117           HA       THR 117  12.912  -4.274   1.962
  908    HB   THR 117           HB       THR 117  13.968  -3.667  -0.321
  909    HG1  THR 117          1HG       THR 117  13.753  -5.989   1.035
  910   1HG2  THR 117          1HG2      THR 117  16.266  -3.356   1.113
  911   2HG2  THR 117          2HG2      THR 117  16.162  -3.660  -0.620
  912   3HG2  THR 117          3HG2      THR 117  16.423  -4.999   0.493
  913    H    LYS 118           H        LYS 118  15.386  -2.208   3.147
  914    HA   LYS 118           HA       LYS 118  16.163  -4.352   4.997
  915   1HB   LYS 118          1HB       LYS 118  18.122  -4.540   3.958
  916   2HB   LYS 118          1HB       LYS 118  17.756  -3.179   2.918
  917   1HG   LYS 118          1HG       LYS 118  18.798  -1.655   4.376
  918   2HG   LYS 118          1HG       LYS 118  18.845  -2.822   5.700
  919   1HD   LYS 118          1HD       LYS 118  20.785  -3.701   4.984
  920   2HD   LYS 118          1HD       LYS 118  20.227  -3.772   3.310
  921   1HE   LYS 118          1HE       LYS 118  21.925  -2.248   3.103
  922   2HE   LYS 118          1HE       LYS 118  20.578  -1.178   3.451
  923   1HZ   LYS 118          1HZ       LYS 118  22.565  -0.666   4.764
  924   2HZ   LYS 118          2HZ       LYS 118  22.456  -2.186   5.499
  925   3HZ   LYS 118          3HZ       LYS 118  21.226  -1.048   5.724
  926    H    THR 119           H        THR 119  16.501  -0.902   4.360
  927    HA   THR 119           HA       THR 119  17.475  -0.446   7.010
  928    HB   THR 119           HB       THR 119  17.059   1.936   5.507
  929    HG1  THR 119          1HG       THR 119  18.283   1.228   3.697
  930   1HG2  THR 119          1HG2      THR 119  19.086   0.841   7.015
  931   2HG2  THR 119          2HG2      THR 119  19.239   2.266   5.985
  932   3HG2  THR 119          3HG2      THR 119  19.700   0.671   5.366
  933    H    TYR 120           H        TYR 120  14.230   0.230   5.711
  934    HA   TYR 120           HA       TYR 120  14.049   2.343   7.680
  935   1HB   TYR 120          1HB       TYR 120  11.885   1.498   5.790
  936   2HB   TYR 120          1HB       TYR 120  12.085   3.025   6.626
  937    HD1  TYR 120          1HD       TYR 120  15.108   3.239   6.067
  938    HD2  TYR 120          2HD       TYR 120  11.749   2.455   3.609
  939    HE1  TYR 120          1HE       TYR 120  16.302   4.188   4.143
  940    HE2  TYR 120          2HE       TYR 120  12.929   3.397   1.671
  941    HH   TYR 120           HH       TYR 120  14.767   4.944   1.225
  942    H    THR 121           H        THR 121  14.148  -0.437   8.550
  943    HA   THR 121           HA       THR 121  11.543  -0.820   9.821
  944    HB   THR 121           HB       THR 121  12.464  -2.775   8.820
  945    HG1  THR 121          1HG       THR 121  12.258  -2.639  11.548
  946   1HG2  THR 121          1HG2      THR 121  14.622  -3.186   8.650
  947   2HG2  THR 121          2HG2      THR 121  14.800  -3.207  10.405
  948   3HG2  THR 121          3HG2      THR 121  14.933  -1.685   9.523
  949    H    VAL 122           H        VAL 122  14.644   0.066  10.352
  950    HA   VAL 122           HA       VAL 122  14.263   0.611  13.226
  951    HB   VAL 122           HB       VAL 122  17.002  -0.146  12.279
  952   1HG1  VAL 122          1HG1      VAL 122  17.552  -0.233  14.515
  953   2HG1  VAL 122          2HG1      VAL 122  15.894  -0.552  15.021
  954   3HG1  VAL 122          3HG1      VAL 122  16.363   1.069  14.509
  955   1HG2  VAL 122          1HG2      VAL 122  15.633  -2.061  11.753
  956   2HG2  VAL 122          2HG2      VAL 122  14.855  -1.990  13.334
  957   3HG2  VAL 122          3HG2      VAL 122  16.563  -2.412  13.209
  958    H    GLY 123           H        GLY 123  15.567   1.622  10.200
  959   1HA   GLY 123          2HA       GLY 123  16.304   4.207  11.412
  960   2HA   GLY 123          1HA       GLY 123  17.179   3.498  10.056
  961    H    CYS 124           H        CYS 124  13.799   3.311  10.496
  962    HA   CYS 124           HA       CYS 124  13.006   4.026   7.947
  963   1HB   CYS 124          1HB       CYS 124  10.757   4.266   8.985
  964   2HB   CYS 124          1HB       CYS 124  11.640   2.820   9.483
  965    H    GLU 125           H        GLU 125  14.558   5.949   7.809
  966    HA   GLU 125           HA       GLU 125  13.024   8.384   8.378
  967   1HB   GLU 125          1HB       GLU 125  15.691   9.196   8.256
  968   2HB   GLU 125          1HB       GLU 125  14.665   9.128   9.682
  969   1HG   GLU 125          1HG       GLU 125  15.386   6.658   9.808
  970   2HG   GLU 125          1HG       GLU 125  16.691   7.157   8.727
  971    H    GLU 126           H        GLU 126  12.209   7.803   6.232
  972    HA   GLU 126           HA       GLU 126  14.058   8.386   4.087
  973   1HB   GLU 126          1HB       GLU 126  11.552   6.914   4.374
  974   2HB   GLU 126          1HB       GLU 126  11.642   7.892   2.918
  975   1HG   GLU 126          1HG       GLU 126  14.082   6.462   3.309
  976   2HG   GLU 126          1HG       GLU 126  12.696   5.374   3.327
  Start of MODEL   22
    1   1H    CYS   1          1HT       CYS   1  -8.067  14.141   6.029
    2   2H    CYS   1          2HT       CYS   1  -8.888  14.358   4.538
    3   3H    CYS   1          3HT       CYS   1  -7.211  14.702   4.656
    4    HA   CYS   1           HA       CYS   1  -7.058  12.265   5.396
    5   1HB   CYS   1          1HB       CYS   1  -9.803  12.589   4.553
    6   2HB   CYS   1          1HB       CYS   1  -8.994  11.386   3.563
    7    H    THR   2           H        THR   2  -8.297  13.757   2.399
    8    HA   THR   2           HA       THR   2  -6.453  12.286   0.789
    9    HB   THR   2           HB       THR   2  -7.294  13.715  -1.065
   10    HG1  THR   2          1HG       THR   2  -8.985  14.888   0.876
   11   1HG2  THR   2          1HG2      THR   2  -9.837  13.217  -0.597
   12   2HG2  THR   2          2HG2      THR   2  -9.161  12.242   0.708
   13   3HG2  THR   2          3HG2      THR   2  -8.695  11.926  -0.964
   14    H    CYS   3           H        CYS   3  -4.473  12.833   1.843
   15    HA   CYS   3           HA       CYS   3  -3.544  15.558   1.286
   16   1HB   CYS   3          1HB       CYS   3  -2.523  15.597   3.281
   17   2HB   CYS   3          1HB       CYS   3  -3.617  14.308   3.691
   18    H    VAL   4           H        VAL   4  -0.887  15.340   1.456
   19    HA   VAL   4           HA       VAL   4  -0.259  13.841  -0.951
   20    HB   VAL   4           HB       VAL   4   0.307  16.150  -1.075
   21   1HG1  VAL   4          1HG1      VAL   4   2.297  16.077   1.121
   22   2HG1  VAL   4          2HG1      VAL   4   0.597  16.183   1.565
   23   3HG1  VAL   4          3HG1      VAL   4   1.312  17.414   0.529
   24   1HG2  VAL   4          1HG2      VAL   4   2.691  14.361  -0.794
   25   2HG2  VAL   4          2HG2      VAL   4   2.857  16.054  -1.252
   26   3HG2  VAL   4          3HG2      VAL   4   1.913  14.961  -2.260
   27    HA   PRO   5           HA       PRO   5   1.952  10.462   0.809
   28   1HB   PRO   5          1HB       PRO   5   4.149  11.453  -0.994
   29   2HB   PRO   5          1HB       PRO   5   3.606   9.791  -0.700
   30   1HG   PRO   5          1HG       PRO   5   2.766  11.021  -2.868
   31   2HG   PRO   5          1HG       PRO   5   1.603  10.106  -1.886
   32   1HD   PRO   5          1HD       PRO   5   2.004  13.047  -2.093
   33   2HD   PRO   5          1HD       PRO   5   0.497  12.145  -1.896
   34    HA   PRO   6           HA       PRO   6   4.340  12.833   3.847
   35   1HB   PRO   6          1HB       PRO   6   3.509  10.996   5.849
   36   2HB   PRO   6          1HB       PRO   6   2.875  12.611   5.540
   37   1HG   PRO   6          1HG       PRO   6   1.473  10.242   5.183
   38   2HG   PRO   6          1HG       PRO   6   1.054  11.803   4.456
   39   1HD   PRO   6          1HD       PRO   6   2.508   9.480   3.258
   40   2HD   PRO   6          1HD       PRO   6   1.321  10.576   2.520
   41    H    HIS   7           H        HIS   7   6.183  12.575   5.027
   42    HA   HIS   7           HA       HIS   7   8.226  11.177   4.229
   43   1HB   HIS   7          1HB       HIS   7   8.688  10.879   6.919
   44   2HB   HIS   7          1HB       HIS   7   9.010  12.330   5.979
   45    HD1  HIS   7          1HD       HIS   7   8.255  14.292   7.259
   46    HD2  HIS   7          2HD       HIS   7   5.641  11.084   7.672
   47    HE1  HIS   7          1HE       HIS   7   6.385  15.129   8.716
   48    HE2  HIS   7          2HE       HIS   7   4.874  13.140   9.039
   49    HA   PRO   8           HA       PRO   8   7.402   6.859   4.476
   50   1HB   PRO   8          1HB       PRO   8   9.843   5.982   3.827
   51   2HB   PRO   8          1HB       PRO   8   8.804   6.773   2.628
   52   1HG   PRO   8          1HG       PRO   8  10.895   8.006   4.380
   53   2HG   PRO   8          1HG       PRO   8  10.792   8.079   2.606
   54   1HD   PRO   8          1HD       PRO   8   9.854  10.090   4.062
   55   2HD   PRO   8          1HD       PRO   8   8.896   9.481   2.690
   56    H    GLN   9           H        GLN   9   9.714   8.592   6.489
   57    HA   GLN   9           HA       GLN   9  10.620   6.444   8.045
   58   1HB   GLN   9          1HB       GLN   9  11.587   8.619   8.418
   59   2HB   GLN   9          1HB       GLN   9  10.021   9.383   8.487
   60   1HG   GLN   9          1HG       GLN   9  10.261   7.479  10.620
   61   2HG   GLN   9          1HG       GLN   9  11.627   8.592  10.633
   62   1HE2  GLN   9          1HE2      GLN   9  10.757  10.949  10.016
   63   2HE2  GLN   9          2HE2      GLN   9   9.467  11.473  11.038
   64    H    THR  10           H        THR  10   8.233   8.860   8.741
   65    HA   THR  10           HA       THR  10   6.728   7.519  10.526
   66    HB   THR  10           HB       THR  10   6.412   9.829   8.754
   67    HG1  THR  10          1HG       THR  10   5.586   9.615  11.426
   68   1HG2  THR  10          1HG2      THR  10   3.966   9.838  10.098
   69   2HG2  THR  10          2HG2      THR  10   4.043   8.297   9.245
   70   3HG2  THR  10          3HG2      THR  10   4.252   9.809   8.356
   71    H    ALA  11           H        ALA  11   6.039   7.683   6.983
   72    HA   ALA  11           HA       ALA  11   3.753   6.119   7.062
   73   1HB   ALA  11          1HB       ALA  11   5.649   5.973   4.781
   74   2HB   ALA  11          2HB       ALA  11   4.785   7.468   5.143
   75   3HB   ALA  11          3HB       ALA  11   3.888   5.993   4.775
   76    H    PHE  12           H        PHE  12   7.136   4.980   6.657
   77    HA   PHE  12           HA       PHE  12   6.375   2.301   6.196
   78   1HB   PHE  12          1HB       PHE  12   8.730   3.545   5.994
   79   2HB   PHE  12          1HB       PHE  12   8.951   2.839   7.592
   80    HD1  PHE  12          1HD       PHE  12   8.456   2.126   4.035
   81    HD2  PHE  12          2HD       PHE  12   9.204   0.451   7.882
   82    HE1  PHE  12          1HE       PHE  12   9.074  -0.006   2.985
   83    HE2  PHE  12          2HE       PHE  12   9.828  -1.681   6.829
   84    HZ   PHE  12           HZ       PHE  12   9.771  -1.904   4.375
   85    H    CYS  13           H        CYS  13   7.680   3.781   9.121
   86    HA   CYS  13           HA       CYS  13   7.248   1.461  10.662
   87   1HB   CYS  13          1HB       CYS  13   8.257   4.170  11.103
   88   2HB   CYS  13          1HB       CYS  13   7.472   3.466  12.511
   89    H    ASN  14           H        ASN  14   5.409   4.569  10.591
   90    HA   ASN  14           HA       ASN  14   3.617   3.803  12.548
   91   1HB   ASN  14          1HB       ASN  14   3.829   5.940  10.675
   92   2HB   ASN  14          1HB       ASN  14   2.183   5.327  10.616
   93   1HD2  ASN  14          1HD2      ASN  14   4.207   7.443  12.111
   94   2HD2  ASN  14          2HD2      ASN  14   3.318   7.704  13.570
   95    H    SER  15           H        SER  15   3.493   3.054   9.026
   96    HA   SER  15           HA       SER  15   0.953   1.899   9.176
   97   1HB   SER  15          1HB       SER  15   2.513   2.746   7.119
   98   2HB   SER  15          1HB       SER  15   2.607   0.998   6.968
   99    HG   SER  15           HG       SER  15   0.558   2.659   6.405
  100    H    ASP  16           H        ASP  16   0.411  -0.024   9.011
  101    HA   ASP  16           HA       ASP  16   2.055  -2.088  10.160
  102   1HB   ASP  16          1HB       ASP  16  -0.811  -1.512  10.060
  103   2HB   ASP  16          1HB       ASP  16  -0.356  -3.206  10.207
  104    H    LEU  17           H        LEU  17   1.529  -1.252   7.206
  105    HA   LEU  17           HA       LEU  17   2.263  -3.805   6.274
  106   1HB   LEU  17          1HB       LEU  17  -0.533  -3.134   5.888
  107   2HB   LEU  17          1HB       LEU  17   0.285  -3.414   4.360
  108    HG   LEU  17           HG       LEU  17   0.121  -5.315   6.694
  109   1HD1  LEU  17          1HD1      LEU  17  -1.862  -5.664   5.676
  110   2HD1  LEU  17          2HD1      LEU  17  -0.889  -6.639   4.591
  111   3HD1  LEU  17          3HD1      LEU  17  -1.335  -4.994   4.144
  112   1HD2  LEU  17          1HD2      LEU  17   1.258  -6.075   4.046
  113   2HD2  LEU  17          2HD2      LEU  17   1.533  -6.774   5.640
  114   3HD2  LEU  17          3HD2      LEU  17   2.281  -5.240   5.212
  115    H    VAL  18           H        VAL  18   3.908  -3.374   5.060
  116    HA   VAL  18           HA       VAL  18   3.704  -1.233   3.068
  117    HB   VAL  18           HB       VAL  18   6.298  -1.686   4.511
  118   1HG1  VAL  18          1HG1      VAL  18   6.163   0.934   3.712
  119   2HG1  VAL  18          2HG1      VAL  18   5.306   0.078   2.429
  120   3HG1  VAL  18          3HG1      VAL  18   6.955  -0.382   2.847
  121   1HG2  VAL  18          1HG2      VAL  18   5.704  -0.560   6.319
  122   2HG2  VAL  18          2HG2      VAL  18   4.031  -0.622   5.767
  123   3HG2  VAL  18          3HG2      VAL  18   5.048   0.757   5.351
  124    H    ILE  19           H        ILE  19   4.050  -2.099   1.168
  125    HA   ILE  19           HA       ILE  19   5.994  -4.241   0.834
  126    HB   ILE  19           HB       ILE  19   4.413  -5.695  -0.225
  127   1HG1  ILE  19          1HG1      ILE  19   2.982  -3.881  -1.200
  128   2HG1  ILE  19          1HG1      ILE  19   2.082  -5.220  -0.495
  129   1HG2  ILE  19          1HG2      ILE  19   2.883  -4.943   2.210
  130   2HG2  ILE  19          2HG2      ILE  19   4.566  -5.432   2.382
  131   3HG2  ILE  19          3HG2      ILE  19   3.409  -6.521   1.632
  132   1HD1  ILE  19          1HD1      ILE  19   1.916  -3.788   1.594
  133   2HD1  ILE  19          2HD1      ILE  19   0.960  -3.304   0.194
  134   3HD1  ILE  19          3HD1      ILE  19   2.456  -2.459   0.575
  135    H    ARG  20           H        ARG  20   5.338  -4.982  -1.715
  136    HA   ARG  20           HA       ARG  20   5.196  -2.582  -3.261
  137   1HB   ARG  20          1HB       ARG  20   7.113  -2.937  -4.549
  138   2HB   ARG  20          1HB       ARG  20   7.680  -3.312  -2.934
  139   1HG   ARG  20          1HG       ARG  20   8.453  -5.207  -3.765
  140   2HG   ARG  20          1HG       ARG  20   6.785  -5.737  -3.941
  141   1HD   ARG  20          1HD       ARG  20   7.558  -6.022  -6.088
  142   2HD   ARG  20          1HD       ARG  20   6.922  -4.382  -6.178
  143    HE   ARG  20           HE       ARG  20   9.110  -3.552  -6.243
  144   1HH1  ARG  20          1HH1      ARG  20   9.083  -7.043  -5.972
  145   2HH1  ARG  20          2HH1      ARG  20  10.732  -7.214  -6.468
  146   1HH2  ARG  20          1HH2      ARG  20  11.277  -3.790  -6.894
  147   2HH2  ARG  20          2HH2      ARG  20  11.975  -5.371  -6.989
  148    H    ALA  21           H        ALA  21   3.824  -2.917  -4.784
  149    HA   ALA  21           HA       ALA  21   3.242  -5.591  -5.840
  150   1HB   ALA  21          1HB       ALA  21   0.747  -5.306  -5.274
  151   2HB   ALA  21          2HB       ALA  21   1.327  -4.162  -4.067
  152   3HB   ALA  21          3HB       ALA  21   1.860  -5.838  -4.012
  153    H    LYS  22           H        LYS  22   1.507  -5.742  -7.271
  154    HA   LYS  22           HA       LYS  22   1.264  -3.470  -9.129
  155   1HB   LYS  22          1HB       LYS  22   1.684  -6.363  -9.419
  156   2HB   LYS  22          1HB       LYS  22   0.500  -5.712 -10.529
  157   1HG   LYS  22          1HG       LYS  22   2.136  -4.398 -11.581
  158   2HG   LYS  22          1HG       LYS  22   3.240  -4.523 -10.206
  159   1HD   LYS  22          1HD       LYS  22   2.609  -7.146 -11.154
  160   2HD   LYS  22          1HD       LYS  22   3.135  -6.149 -12.501
  161   1HE   LYS  22          1HE       LYS  22   4.986  -5.447 -10.769
  162   2HE   LYS  22          1HE       LYS  22   4.624  -7.043 -10.120
  163   1HZ   LYS  22          1HZ       LYS  22   4.893  -7.108 -12.957
  164   2HZ   LYS  22          2HZ       LYS  22   5.724  -8.000 -11.784
  165   3HZ   LYS  22          3HZ       LYS  22   6.283  -6.469 -12.233
  166    H    PHE  23           H        PHE  23  -0.813  -2.923  -9.881
  167    HA   PHE  23           HA       PHE  23  -3.033  -4.045  -8.307
  168   1HB   PHE  23          1HB       PHE  23  -2.661  -1.516  -9.880
  169   2HB   PHE  23          1HB       PHE  23  -4.283  -2.114  -9.534
  170    HD1  PHE  23          1HD       PHE  23  -5.270  -1.786  -7.443
  171    HD2  PHE  23          2HD       PHE  23  -1.098  -1.118  -7.946
  172    HE1  PHE  23          1HE       PHE  23  -5.150  -0.815  -5.182
  173    HE2  PHE  23          2HE       PHE  23  -0.974  -0.151  -5.694
  174    HZ   PHE  23           HZ       PHE  23  -2.999   0.001  -4.310
  175    H    VAL  24           H        VAL  24  -4.150  -5.542  -9.002
  176    HA   VAL  24           HA       VAL  24  -4.608  -5.848 -11.873
  177    HB   VAL  24           HB       VAL  24  -4.550  -8.385 -10.969
  178   1HG1  VAL  24          1HG1      VAL  24  -3.433  -7.556 -12.976
  179   2HG1  VAL  24          2HG1      VAL  24  -2.339  -8.556 -12.020
  180   3HG1  VAL  24          3HG1      VAL  24  -2.205  -6.798 -11.964
  181   1HG2  VAL  24          1HG2      VAL  24  -2.307  -7.092  -9.537
  182   2HG2  VAL  24          2HG2      VAL  24  -2.850  -8.773  -9.452
  183   3HG2  VAL  24          3HG2      VAL  24  -3.844  -7.487  -8.774
  184    H    GLY  25           H        GLY  25  -6.470  -4.650 -10.294
  185   1HA   GLY  25          2HA       GLY  25  -8.773  -6.224 -10.759
  186   2HA   GLY  25          1HA       GLY  25  -8.465  -6.102  -9.041
  187    H    THR  26           H        THR  26 -10.794  -5.009 -10.108
  188    HA   THR  26           HA       THR  26 -10.237  -2.147 -10.329
  189    HB   THR  26           HB       THR  26 -12.986  -2.652 -10.732
  190    HG1  THR  26          1HG       THR  26 -11.459  -4.428 -12.310
  191   1HG2  THR  26          1HG2      THR  26 -10.890  -1.393 -12.071
  192   2HG2  THR  26          2HG2      THR  26 -12.601  -1.387 -12.502
  193   3HG2  THR  26          3HG2      THR  26 -11.521  -2.596 -13.198
  194    HA   PRO  27           HA       PRO  27 -12.037  -0.951  -6.511
  195   1HB   PRO  27          1HB       PRO  27 -13.339   1.316  -7.135
  196   2HB   PRO  27          1HB       PRO  27 -11.581   1.194  -7.154
  197   1HG   PRO  27          1HG       PRO  27 -13.510   1.131  -9.427
  198   2HG   PRO  27          1HG       PRO  27 -11.913   1.893  -9.336
  199   1HD   PRO  27          1HD       PRO  27 -12.423  -0.519 -10.555
  200   2HD   PRO  27          1HD       PRO  27 -10.842  -0.035  -9.927
  201    H    GLU  28           H        GLU  28 -13.550  -2.272  -5.676
  202    HA   GLU  28           HA       GLU  28 -16.181  -2.476  -6.862
  203   1HB   GLU  28          1HB       GLU  28 -16.759  -3.808  -4.807
  204   2HB   GLU  28          1HB       GLU  28 -15.441  -4.457  -5.771
  205   1HG   GLU  28          1HG       GLU  28 -13.866  -3.349  -4.180
  206   2HG   GLU  28          1HG       GLU  28 -15.262  -2.991  -3.162
  207    H    VAL  29           H        VAL  29 -18.181  -2.018  -5.449
  208    HA   VAL  29           HA       VAL  29 -17.699   0.123  -3.570
  209    HB   VAL  29           HB       VAL  29 -19.632   0.955  -5.624
  210   1HG1  VAL  29          1HG1      VAL  29 -18.733   3.203  -4.867
  211   2HG1  VAL  29          2HG1      VAL  29 -17.891   2.313  -3.597
  212   3HG1  VAL  29          3HG1      VAL  29 -19.651   2.273  -3.683
  213   1HG2  VAL  29          1HG2      VAL  29 -17.825   0.621  -7.074
  214   2HG2  VAL  29          2HG2      VAL  29 -16.647   1.077  -5.844
  215   3HG2  VAL  29          3HG2      VAL  29 -17.657   2.309  -6.592
  216    H    ASN  30           H        ASN  30 -18.803  -1.088  -1.921
  217    HA   ASN  30           HA       ASN  30 -21.559  -1.784  -2.385
  218   1HB   ASN  30          1HB       ASN  30 -19.848  -2.711  -0.520
  219   2HB   ASN  30          1HB       ASN  30 -20.646  -1.453   0.419
  220   1HD2  ASN  30          1HD2      ASN  30 -22.533  -1.897   1.341
  221   2HD2  ASN  30          2HD2      ASN  30 -23.521  -3.262   0.972
  222    H    GLN  31           H        GLN  31 -23.307  -0.799  -1.419
  223    HA   GLN  31           HA       GLN  31 -23.112   2.103  -1.317
  224   1HB   GLN  31          1HB       GLN  31 -25.536   0.332  -1.004
  225   2HB   GLN  31          1HB       GLN  31 -25.564   2.073  -1.280
  226   1HG   GLN  31          1HG       GLN  31 -24.343   0.141  -3.225
  227   2HG   GLN  31          1HG       GLN  31 -26.053   0.568  -3.269
  228   1HE2  GLN  31          1HE2      GLN  31 -22.804   1.663  -3.804
  229   2HE2  GLN  31          2HE2      GLN  31 -23.209   3.130  -4.621
  230    H    THR  32           H        THR  32 -22.802  -0.419   0.809
  231    HA   THR  32           HA       THR  32 -23.398   1.319   3.076
  232    HB   THR  32           HB       THR  32 -24.778  -1.137   2.167
  233    HG1  THR  32          1HG       THR  32 -26.486  -0.110   3.304
  234   1HG2  THR  32          1HG2      THR  32 -23.635  -1.843   4.365
  235   2HG2  THR  32          2HG2      THR  32 -25.366  -2.086   4.192
  236   3HG2  THR  32          3HG2      THR  32 -24.759  -0.722   5.131
  237    H    THR  33           H        THR  33 -20.907   0.641   1.979
  238    HA   THR  33           HA       THR  33 -19.854  -1.283   3.920
  239    HB   THR  33           HB       THR  33 -18.865  -1.884   1.945
  240    HG1  THR  33          1HG       THR  33 -17.057   0.085   2.293
  241   1HG2  THR  33          1HG2      THR  33 -18.499  -0.668  -0.010
  242   2HG2  THR  33          2HG2      THR  33 -18.346   0.838   0.893
  243   3HG2  THR  33          3HG2      THR  33 -19.931   0.121   0.649
  244    H    LEU  34           H        LEU  34 -19.273   1.829   2.314
  245    HA   LEU  34           HA       LEU  34 -18.549   3.805   3.381
  246   1HB   LEU  34          1HB       LEU  34 -18.300   1.968   5.682
  247   2HB   LEU  34          1HB       LEU  34 -17.058   3.161   5.567
  248    HG   LEU  34           HG       LEU  34 -20.018   3.704   5.629
  249   1HD1  LEU  34          1HD1      LEU  34 -18.515   4.780   7.819
  250   2HD1  LEU  34          2HD1      LEU  34 -18.245   3.042   7.700
  251   3HD1  LEU  34          3HD1      LEU  34 -19.886   3.669   7.850
  252   1HD2  LEU  34          1HD2      LEU  34 -18.035   5.834   6.159
  253   2HD2  LEU  34          2HD2      LEU  34 -19.560   5.909   5.277
  254   3HD2  LEU  34          3HD2      LEU  34 -18.112   5.267   4.486
  255    H    TYR  35           H        TYR  35 -17.114   0.875   2.683
  256    HA   TYR  35           HA       TYR  35 -14.655   2.160   1.787
  257   1HB   TYR  35          1HB       TYR  35 -13.483  -0.046   2.564
  258   2HB   TYR  35          1HB       TYR  35 -13.712   1.289   3.659
  259    HD1  TYR  35          1HD       TYR  35 -14.437  -2.148   3.007
  260    HD2  TYR  35          2HD       TYR  35 -15.504   1.250   5.313
  261    HE1  TYR  35          1HE       TYR  35 -15.553  -3.613   4.646
  262    HE2  TYR  35          2HE       TYR  35 -16.610  -0.170   6.937
  263    HH   TYR  35           HH       TYR  35 -17.125  -3.576   6.379
  264    H    GLN  36           H        GLN  36 -13.354   0.877   0.392
  265    HA   GLN  36           HA       GLN  36 -14.930  -1.020  -1.180
  266   1HB   GLN  36          1HB       GLN  36 -13.216   1.266  -2.143
  267   2HB   GLN  36          1HB       GLN  36 -13.973   0.070  -3.199
  268   1HG   GLN  36          1HG       GLN  36 -15.182   2.305  -1.649
  269   2HG   GLN  36          1HG       GLN  36 -15.439   1.835  -3.331
  270   1HE2  GLN  36          1HE2      GLN  36 -15.834  -0.986  -2.647
  271   2HE2  GLN  36          2HE2      GLN  36 -17.388  -1.097  -1.916
  272    H    ARG  37           H        ARG  37 -13.522  -2.329  -2.669
  273    HA   ARG  37           HA       ARG  37 -10.881  -2.786  -1.471
  274   1HB   ARG  37          1HB       ARG  37 -12.449  -5.111  -2.441
  275   2HB   ARG  37          1HB       ARG  37 -11.158  -5.043  -1.255
  276   1HG   ARG  37          1HG       ARG  37 -13.023  -3.596   0.023
  277   2HG   ARG  37          1HG       ARG  37 -14.055  -4.674  -0.920
  278   1HD   ARG  37          1HD       ARG  37 -11.733  -5.734   0.624
  279   2HD   ARG  37          1HD       ARG  37 -13.267  -5.421   1.429
  280    HE   ARG  37           HE       ARG  37 -14.258  -7.132   0.145
  281   1HH1  ARG  37          1HH1      ARG  37 -10.827  -6.822  -0.480
  282   2HH1  ARG  37          2HH1      ARG  37 -10.694  -8.391  -1.196
  283   1HH2  ARG  37          1HH2      ARG  37 -14.069  -9.198  -0.797
  284   2HH2  ARG  37          2HH2      ARG  37 -12.528  -9.736  -1.377
  285    H    TYR  38           H        TYR  38  -9.415  -2.513  -2.823
  286    HA   TYR  38           HA       TYR  38  -9.768  -2.980  -5.712
  287   1HB   TYR  38          1HB       TYR  38  -7.702  -1.585  -4.060
  288   2HB   TYR  38          1HB       TYR  38  -7.187  -2.258  -5.592
  289    HD1  TYR  38          1HD       TYR  38  -8.149   0.653  -4.057
  290    HD2  TYR  38          2HD       TYR  38  -8.955  -1.585  -7.579
  291    HE1  TYR  38          1HE       TYR  38  -8.835   2.715  -5.192
  292    HE2  TYR  38          2HE       TYR  38  -9.637   0.477  -8.731
  293    HH   TYR  38           HH       TYR  38  -9.694   3.602  -7.051
  294    H    GLU  39           H        GLU  39  -8.538  -4.577  -6.855
  295    HA   GLU  39           HA       GLU  39  -7.366  -6.622  -5.131
  296   1HB   GLU  39          1HB       GLU  39  -7.730  -6.979  -8.073
  297   2HB   GLU  39          1HB       GLU  39  -7.822  -8.165  -6.801
  298   1HG   GLU  39          1HG       GLU  39  -9.974  -7.173  -6.070
  299   2HG   GLU  39          1HG       GLU  39  -9.890  -6.070  -7.440
  300    H    ILE  40           H        ILE  40  -5.268  -7.366  -5.408
  301    HA   ILE  40           HA       ILE  40  -3.675  -5.822  -7.331
  302    HB   ILE  40           HB       ILE  40  -1.868  -5.933  -5.439
  303   1HG1  ILE  40          1HG1      ILE  40  -4.362  -5.783  -3.761
  304   2HG1  ILE  40          1HG1      ILE  40  -3.418  -7.257  -3.953
  305   1HG2  ILE  40          1HG2      ILE  40  -4.088  -3.998  -5.884
  306   2HG2  ILE  40          2HG2      ILE  40  -2.358  -3.816  -6.174
  307   3HG2  ILE  40          3HG2      ILE  40  -2.989  -3.726  -4.530
  308   1HD1  ILE  40          1HD1      ILE  40  -1.782  -6.537  -2.594
  309   2HD1  ILE  40          2HD1      ILE  40  -3.054  -5.488  -1.970
  310   3HD1  ILE  40          3HD1      ILE  40  -1.901  -4.869  -3.152
  311    H    LYS  41           H        LYS  41  -1.357  -6.579  -7.303
  312    HA   LYS  41           HA       LYS  41  -1.207  -9.495  -7.339
  313   1HB   LYS  41          1HB       LYS  41  -0.995  -8.516  -9.642
  314   2HB   LYS  41          1HB       LYS  41   0.381  -7.598  -9.070
  315   1HG   LYS  41          1HG       LYS  41   1.338  -9.405 -10.132
  316   2HG   LYS  41          1HG       LYS  41   1.360  -9.892  -8.435
  317   1HD   LYS  41          1HD       LYS  41  -0.790 -11.104  -8.845
  318   2HD   LYS  41          1HD       LYS  41  -0.600 -10.748 -10.563
  319   1HE   LYS  41          1HE       LYS  41   1.528 -12.152  -8.973
  320   2HE   LYS  41          1HE       LYS  41   0.199 -13.026  -9.735
  321   1HZ   LYS  41          1HZ       LYS  41   0.938 -11.776 -11.836
  322   2HZ   LYS  41          2HZ       LYS  41   1.858 -13.098 -11.319
  323   3HZ   LYS  41          3HZ       LYS  41   2.391 -11.523 -11.007
  324    H    MET  42           H        MET  42  -0.619  -9.213  -5.056
  325    HA   MET  42           HA       MET  42   1.387  -7.518  -4.192
  326   1HB   MET  42          1HB       MET  42  -0.211  -8.741  -2.723
  327   2HB   MET  42          1HB       MET  42   0.727 -10.206  -2.992
  328   1HG   MET  42          1HG       MET  42   2.588  -8.296  -2.188
  329   2HG   MET  42          1HG       MET  42   1.186  -8.034  -1.154
  330   1HE   MET  42          1HE       MET  42   3.141 -11.804  -2.206
  331   2HE   MET  42          2HE       MET  42   4.350 -11.033  -1.180
  332   3HE   MET  42          3HE       MET  42   3.715 -10.182  -2.589
  333    H    THR  43           H        THR  43   3.323  -7.399  -5.067
  334    HA   THR  43           HA       THR  43   4.594  -9.675  -6.171
  335    HB   THR  43           HB       THR  43   6.603  -7.798  -5.969
  336    HG1  THR  43          1HG       THR  43   5.639  -6.014  -5.496
  337   1HG2  THR  43          1HG2      THR  43   4.825  -8.798  -8.011
  338   2HG2  THR  43          2HG2      THR  43   6.516  -8.308  -8.131
  339   3HG2  THR  43          3HG2      THR  43   5.235  -7.104  -8.274
  340    H    LYS  44           H        LYS  44   5.553  -7.589  -3.398
  341    HA   LYS  44           HA       LYS  44   6.393  -9.870  -1.869
  342   1HB   LYS  44          1HB       LYS  44   8.395  -7.873  -2.932
  343   2HB   LYS  44          1HB       LYS  44   8.687  -8.785  -1.458
  344   1HG   LYS  44          1HG       LYS  44   7.899 -10.512  -3.636
  345   2HG   LYS  44          1HG       LYS  44   9.316  -9.548  -4.043
  346   1HD   LYS  44          1HD       LYS  44   9.231 -10.858  -1.378
  347   2HD   LYS  44          1HD       LYS  44   9.514 -11.874  -2.794
  348   1HE   LYS  44          1HE       LYS  44  11.311 -10.156  -3.422
  349   2HE   LYS  44          1HE       LYS  44  11.160  -9.588  -1.760
  350   1HZ   LYS  44          1HZ       LYS  44  11.453 -12.158  -1.302
  351   2HZ   LYS  44          2HZ       LYS  44  12.779 -11.124  -1.477
  352   3HZ   LYS  44          3HZ       LYS  44  12.280 -12.085  -2.777
  353    H    MET  45           H        MET  45   6.621  -9.298   0.373
  354    HA   MET  45           HA       MET  45   5.396  -6.720   1.006
  355   1HB   MET  45          1HB       MET  45   5.101  -7.680   3.283
  356   2HB   MET  45          1HB       MET  45   4.290  -8.589   2.013
  357   1HG   MET  45          1HG       MET  45   6.985  -9.518   2.492
  358   2HG   MET  45          1HG       MET  45   5.980  -9.569   3.927
  359   1HE   MET  45          1HE       MET  45   7.298 -11.199   1.156
  360   2HE   MET  45          2HE       MET  45   6.287 -12.601   0.804
  361   3HE   MET  45          3HE       MET  45   7.108 -12.476   2.359
  362    H    TYR  46           H        TYR  46   6.349  -5.166   2.321
  363    HA   TYR  46           HA       TYR  46   9.175  -5.576   3.011
  364   1HB   TYR  46          1HB       TYR  46   7.783  -3.125   1.922
  365   2HB   TYR  46          1HB       TYR  46   9.427  -3.136   2.508
  366    HD1  TYR  46          1HD       TYR  46   7.469  -5.329   0.200
  367    HD2  TYR  46          2HD       TYR  46  10.954  -2.977   0.809
  368    HE1  TYR  46          1HE       TYR  46   8.262  -5.932  -2.043
  369    HE2  TYR  46          2HE       TYR  46  11.755  -3.565  -1.436
  370    HH   TYR  46           HH       TYR  46  10.409  -4.352  -3.714
  371    H    LYS  47           H        LYS  47   6.469  -5.601   4.569
  372    HA   LYS  47           HA       LYS  47   7.370  -4.844   7.047
  373   1HB   LYS  47          1HB       LYS  47   7.142  -2.488   5.850
  374   2HB   LYS  47          1HB       LYS  47   5.442  -2.703   6.249
  375   1HG   LYS  47          1HG       LYS  47   6.931  -3.334   8.564
  376   2HG   LYS  47          1HG       LYS  47   7.581  -1.831   7.914
  377   1HD   LYS  47          1HD       LYS  47   5.898  -1.014   9.247
  378   2HD   LYS  47          1HD       LYS  47   5.031  -1.192   7.726
  379   1HE   LYS  47          1HE       LYS  47   3.557  -2.411   8.827
  380   2HE   LYS  47          1HE       LYS  47   4.787  -3.665   8.936
  381   1HZ   LYS  47          1HZ       LYS  47   3.923  -1.722  10.954
  382   2HZ   LYS  47          2HZ       LYS  47   5.518  -2.282  11.002
  383   3HZ   LYS  47          3HZ       LYS  47   4.233  -3.376  11.118
  384    H    GLY  48           H        GLY  48   6.212  -6.232   8.114
  385   1HA   GLY  48          2HA       GLY  48   3.695  -6.266   8.927
  386   2HA   GLY  48          1HA       GLY  48   3.509  -6.901   7.299
  387    H    PHE  49           H        PHE  49   6.524  -7.809   8.466
  388    HA   PHE  49           HA       PHE  49   6.287 -10.453   8.307
  389   1HB   PHE  49          1HB       PHE  49   7.836  -9.323  10.603
  390   2HB   PHE  49          1HB       PHE  49   8.233 -10.695   9.583
  391    HD1  PHE  49          1HD       PHE  49   8.293  -9.841   6.923
  392    HD2  PHE  49          2HD       PHE  49   9.280  -7.590  10.395
  393    HE1  PHE  49          1HE       PHE  49   9.743  -8.388   5.567
  394    HE2  PHE  49          2HE       PHE  49  10.729  -6.131   9.046
  395    HZ   PHE  49           HZ       PHE  49  10.962  -6.528   6.627
  396    H    GLN  50           H        GLN  50   5.905  -8.685  11.359
  397    HA   GLN  50           HA       GLN  50   5.127 -10.823  12.947
  398   1HB   GLN  50          1HB       GLN  50   3.963  -9.154  14.366
  399   2HB   GLN  50          1HB       GLN  50   5.594  -8.667  13.930
  400   1HG   GLN  50          1HG       GLN  50   4.883  -6.953  12.611
  401   2HG   GLN  50          1HG       GLN  50   3.353  -7.740  12.224
  402   1HE2  GLN  50          1HE2      GLN  50   5.061  -6.587  15.115
  403   2HE2  GLN  50          2HE2      GLN  50   3.698  -5.788  15.813
  404    H    ALA  51           H        ALA  51   3.360  -9.104  10.509
  405    HA   ALA  51           HA       ALA  51   0.848 -10.436  11.173
  406   1HB   ALA  51          1HB       ALA  51  -0.226  -8.735  10.214
  407   2HB   ALA  51          2HB       ALA  51   0.873  -8.682   8.837
  408   3HB   ALA  51          3HB       ALA  51   1.314  -7.887  10.350
  409    H    LEU  52           H        LEU  52   3.507 -10.807   9.163
  410    HA   LEU  52           HA       LEU  52   2.333 -12.067   6.911
  411   1HB   LEU  52          1HB       LEU  52   5.093 -11.644   7.929
  412   2HB   LEU  52          1HB       LEU  52   4.836 -12.889   6.736
  413    HG   LEU  52           HG       LEU  52   4.347 -11.393   5.058
  414   1HD1  LEU  52          1HD1      LEU  52   2.948  -9.945   7.033
  415   2HD1  LEU  52          2HD1      LEU  52   2.945  -9.698   5.293
  416   3HD1  LEU  52          3HD1      LEU  52   4.103  -8.839   6.299
  417   1HD2  LEU  52          1HD2      LEU  52   6.495 -10.820   5.089
  418   2HD2  LEU  52          2HD2      LEU  52   6.510 -10.609   6.832
  419   3HD2  LEU  52          3HD2      LEU  52   5.956  -9.298   5.796
  420    H    GLY  53           H        GLY  53   1.034 -13.326   8.307
  421   1HA   GLY  53          2HA       GLY  53   1.850 -15.306  10.062
  422   2HA   GLY  53          1HA       GLY  53   0.375 -15.365   9.113
  423    H    ASP  54           H        ASP  54   1.437 -15.481   6.593
  424    HA   ASP  54           HA       ASP  54   3.158 -17.823   6.641
  425   1HB   ASP  54          1HB       ASP  54   0.663 -18.366   6.099
  426   2HB   ASP  54          1HB       ASP  54   1.023 -17.650   4.536
  427    H    ALA  55           H        ALA  55   1.661 -16.145   4.001
  428    HA   ALA  55           HA       ALA  55   3.981 -14.540   3.503
  429   1HB   ALA  55          1HB       ALA  55   3.231 -16.131   1.151
  430   2HB   ALA  55          2HB       ALA  55   4.089 -16.972   2.442
  431   3HB   ALA  55          3HB       ALA  55   4.807 -15.549   1.688
  432    H    ALA  56           H        ALA  56   0.776 -15.579   2.665
  433    HA   ALA  56           HA       ALA  56   0.299 -13.188   1.032
  434   1HB   ALA  56          1HB       ALA  56  -0.318 -15.076  -0.163
  435   2HB   ALA  56          2HB       ALA  56  -1.846 -14.476   0.481
  436   3HB   ALA  56          3HB       ALA  56  -1.047 -15.850   1.244
  437    H    ASP  57           H        ASP  57   0.300 -11.968   3.149
  438    HA   ASP  57           HA       ASP  57  -2.316 -12.117   4.468
  439   1HB   ASP  57          1HB       ASP  57  -1.308 -10.400   6.021
  440   2HB   ASP  57          1HB       ASP  57  -0.512 -11.973   6.036
  441    H    ILE  58           H        ILE  58  -0.776 -10.638   1.915
  442    HA   ILE  58           HA       ILE  58  -2.615  -8.332   1.929
  443    HB   ILE  58           HB       ILE  58  -0.119  -8.402   0.262
  444   1HG1  ILE  58          1HG1      ILE  58   0.353  -6.827   2.581
  445   2HG1  ILE  58          1HG1      ILE  58  -0.165  -8.416   3.130
  446   1HG2  ILE  58          1HG2      ILE  58  -0.377  -6.056   0.188
  447   2HG2  ILE  58          2HG2      ILE  58  -1.503  -6.062   1.547
  448   3HG2  ILE  58          3HG2      ILE  58  -2.000  -6.718  -0.013
  449   1HD1  ILE  58          1HD1      ILE  58   2.112  -7.836   1.259
  450   2HD1  ILE  58          2HD1      ILE  58   1.585  -9.442   1.759
  451   3HD1  ILE  58          3HD1      ILE  58   2.240  -8.317   2.950
  452    H    ARG  59           H        ARG  59  -4.074  -8.324   0.336
  453    HA   ARG  59           HA       ARG  59  -3.488  -9.613  -2.178
  454   1HB   ARG  59          1HB       ARG  59  -5.871 -10.601  -0.635
  455   2HB   ARG  59          1HB       ARG  59  -5.323 -11.141  -2.213
  456   1HG   ARG  59          1HG       ARG  59  -3.351 -12.111  -1.261
  457   2HG   ARG  59          1HG       ARG  59  -3.741 -11.453   0.328
  458   1HD   ARG  59          1HD       ARG  59  -4.895 -13.291   0.782
  459   2HD   ARG  59          1HD       ARG  59  -6.006 -12.898  -0.527
  460    HE   ARG  59           HE       ARG  59  -3.944 -14.902  -0.535
  461   1HH1  ARG  59          1HH1      ARG  59  -5.943 -12.851  -2.528
  462   2HH1  ARG  59          2HH1      ARG  59  -5.836 -13.883  -3.913
  463   1HH2  ARG  59          1HH2      ARG  59  -3.817 -16.267  -2.350
  464   2HH2  ARG  59          2HH2      ARG  59  -4.636 -15.823  -3.811
  465    H    PHE  60           H        PHE  60  -5.559  -7.663  -0.322
  466    HA   PHE  60           HA       PHE  60  -6.482  -6.155  -2.583
  467   1HB   PHE  60          1HB       PHE  60  -8.355  -7.379  -0.538
  468   2HB   PHE  60          1HB       PHE  60  -8.819  -6.192  -1.746
  469    HD1  PHE  60          1HD       PHE  60  -9.779  -6.925  -3.695
  470    HD2  PHE  60          2HD       PHE  60  -7.315  -9.602  -1.489
  471    HE1  PHE  60          1HE       PHE  60 -10.380  -8.750  -5.231
  472    HE2  PHE  60          2HE       PHE  60  -7.902 -11.419  -3.037
  473    HZ   PHE  60           HZ       PHE  60  -9.440 -10.994  -4.903
  474    H    VAL  61           H        VAL  61  -7.201  -4.161  -1.982
  475    HA   VAL  61           HA       VAL  61  -6.172  -3.303   0.625
  476    HB   VAL  61           HB       VAL  61  -5.358  -1.457  -0.364
  477   1HG1  VAL  61          1HG1      VAL  61  -3.972  -3.057  -1.218
  478   2HG1  VAL  61          2HG1      VAL  61  -4.390  -2.079  -2.624
  479   3HG1  VAL  61          3HG1      VAL  61  -5.189  -3.628  -2.361
  480   1HG2  VAL  61          1HG2      VAL  61  -6.875  -0.212  -1.436
  481   2HG2  VAL  61          2HG2      VAL  61  -7.611  -1.618  -2.202
  482   3HG2  VAL  61          3HG2      VAL  61  -6.130  -0.928  -2.862
  483    H    TYR  62           H        TYR  62  -7.621  -2.509   2.030
  484    HA   TYR  62           HA       TYR  62 -10.269  -1.842   1.048
  485   1HB   TYR  62          1HB       TYR  62  -9.396  -2.414   3.884
  486   2HB   TYR  62          1HB       TYR  62 -11.048  -2.193   3.332
  487    HD1  TYR  62          1HD       TYR  62 -12.077  -4.219   3.747
  488    HD2  TYR  62          2HD       TYR  62  -8.316  -4.222   1.748
  489    HE1  TYR  62          1HE       TYR  62 -12.294  -6.632   3.328
  490    HE2  TYR  62          2HE       TYR  62  -8.529  -6.616   1.330
  491    HH   TYR  62           HH       TYR  62  -9.697  -8.553   2.180
  492    H    THR  63           H        THR  63 -10.487   0.173   0.573
  493    HA   THR  63           HA       THR  63  -9.594   2.304   2.424
  494    HB   THR  63           HB       THR  63  -8.797   3.230   0.495
  495    HG1  THR  63          1HG       THR  63 -11.059   4.194   0.826
  496   1HG2  THR  63          1HG2      THR  63  -9.429   0.934  -0.699
  497   2HG2  THR  63          2HG2      THR  63  -8.951   2.366  -1.602
  498   3HG2  THR  63          3HG2      THR  63 -10.660   1.965  -1.435
  499    HA   PRO  64           HA       PRO  64 -13.918   2.908   3.369
  500   1HB   PRO  64          1HB       PRO  64 -13.339   5.731   3.797
  501   2HB   PRO  64          1HB       PRO  64 -13.885   4.524   4.954
  502   1HG   PRO  64          1HG       PRO  64 -11.389   5.548   5.029
  503   2HG   PRO  64          1HG       PRO  64 -11.748   3.878   5.501
  504   1HD   PRO  64          1HD       PRO  64 -10.559   4.916   2.962
  505   2HD   PRO  64          1HD       PRO  64 -10.147   3.456   3.886
  506    H    ALA  65           H        ALA  65 -15.647   3.536   2.226
  507    HA   ALA  65           HA       ALA  65 -15.236   4.818  -0.257
  508   1HB   ALA  65          1HB       ALA  65 -17.628   3.307   0.716
  509   2HB   ALA  65          2HB       ALA  65 -16.294   2.623  -0.210
  510   3HB   ALA  65          3HB       ALA  65 -17.339   3.841  -0.939
  511    H    MET  66           H        MET  66 -15.299   6.638   1.914
  512    HA   MET  66           HA       MET  66 -17.958   7.818   1.873
  513   1HB   MET  66          1HB       MET  66 -15.588   9.047   3.240
  514   2HB   MET  66          1HB       MET  66 -17.287   9.229   3.620
  515   1HG   MET  66          1HG       MET  66 -17.409   7.242   4.725
  516   2HG   MET  66          1HG       MET  66 -16.054   6.536   3.852
  517   1HE   MET  66          1HE       MET  66 -16.130   9.359   7.360
  518   2HE   MET  66          2HE       MET  66 -16.649   7.705   7.683
  519   3HE   MET  66          3HE       MET  66 -17.450   8.651   6.429
  520    H    GLU  67           H        GLU  67 -18.025  10.286   1.657
  521    HA   GLU  67           HA       GLU  67 -17.000  10.926  -0.957
  522   1HB   GLU  67          1HB       GLU  67 -19.309  11.501   0.117
  523   2HB   GLU  67          1HB       GLU  67 -18.448  12.878   0.789
  524   1HG   GLU  67          1HG       GLU  67 -17.709  13.289  -1.660
  525   2HG   GLU  67          1HG       GLU  67 -19.075  12.247  -2.058
  526    H    SER  68           H        SER  68 -16.018  11.574   2.291
  527    HA   SER  68           HA       SER  68 -13.964  13.412   1.260
  528   1HB   SER  68          1HB       SER  68 -15.617  14.794   2.379
  529   2HB   SER  68          1HB       SER  68 -15.556  13.761   3.808
  530    HG   SER  68           HG       SER  68 -14.079  15.125   4.425
  531    H    VAL  69           H        VAL  69 -13.859  10.585   1.813
  532    HA   VAL  69           HA       VAL  69 -12.206  10.405   4.225
  533    HB   VAL  69           HB       VAL  69 -14.001   8.771   3.876
  534   1HG1  VAL  69          1HG1      VAL  69 -12.521   8.274   1.354
  535   2HG1  VAL  69          2HG1      VAL  69 -14.256   8.352   1.652
  536   3HG1  VAL  69          3HG1      VAL  69 -13.341   6.929   2.143
  537   1HG2  VAL  69          1HG2      VAL  69 -11.637   7.053   3.640
  538   2HG2  VAL  69          2HG2      VAL  69 -12.883   7.125   4.887
  539   3HG2  VAL  69          3HG2      VAL  69 -11.574   8.293   4.896
  540    H    CYS  70           H        CYS  70 -10.215   9.056   4.073
  541    HA   CYS  70           HA       CYS  70  -8.698   9.791   1.691
  542   1HB   CYS  70          1HB       CYS  70  -6.806   8.751   3.272
  543   2HB   CYS  70          1HB       CYS  70  -7.319  10.417   3.425
  544    H    GLY  71           H        GLY  71 -10.315   8.100   0.954
  545   1HA   GLY  71          2HA       GLY  71  -9.946   5.410   1.301
  546   2HA   GLY  71          1HA       GLY  71 -10.497   6.119  -0.211
  547    H    TYR  72           H        TYR  72  -9.206   5.964  -1.907
  548    HA   TYR  72           HA       TYR  72  -6.373   5.928  -1.738
  549   1HB   TYR  72          1HB       TYR  72  -6.979   3.651  -0.910
  550   2HB   TYR  72          1HB       TYR  72  -7.644   3.318  -2.506
  551    HD1  TYR  72          1HD       TYR  72  -6.307   2.150  -3.928
  552    HD2  TYR  72          2HD       TYR  72  -4.489   4.695  -1.063
  553    HE1  TYR  72          1HE       TYR  72  -4.098   1.466  -4.739
  554    HE2  TYR  72          2HE       TYR  72  -2.268   4.014  -1.853
  555    HH   TYR  72           HH       TYR  72  -1.835   2.155  -4.739
  556    H    PHE  73           H        PHE  73  -6.869   7.604  -3.332
  557    HA   PHE  73           HA       PHE  73  -8.053   6.950  -5.802
  558   1HB   PHE  73          1HB       PHE  73  -6.396   9.240  -4.844
  559   2HB   PHE  73          1HB       PHE  73  -6.716   9.074  -6.568
  560    HD1  PHE  73          1HD       PHE  73  -7.890  10.435  -3.563
  561    HD2  PHE  73          2HD       PHE  73  -9.249   8.649  -7.180
  562    HE1  PHE  73          1HE       PHE  73 -10.097  11.483  -3.250
  563    HE2  PHE  73          2HE       PHE  73 -11.454   9.694  -6.873
  564    HZ   PHE  73           HZ       PHE  73 -11.881  11.114  -4.907
  565    H    HIS  74           H        HIS  74  -7.209   5.112  -6.554
  566    HA   HIS  74           HA       HIS  74  -4.382   5.045  -7.289
  567   1HB   HIS  74          1HB       HIS  74  -5.006   3.077  -6.198
  568   2HB   HIS  74          1HB       HIS  74  -6.526   2.952  -7.067
  569    HD1  HIS  74          1HD       HIS  74  -6.462   1.032  -8.623
  570    HD2  HIS  74          2HD       HIS  74  -2.746   2.853  -8.280
  571    HE1  HIS  74          1HE       HIS  74  -4.921  -0.299 -10.097
  572    HE2  HIS  74          2HE       HIS  74  -2.642   0.708  -9.720
  573    H    ARG  75           H        ARG  75  -3.799   5.825  -9.164
  574    HA   ARG  75           HA       ARG  75  -5.589   5.477 -11.480
  575   1HB   ARG  75          1HB       ARG  75  -3.467   7.604 -11.237
  576   2HB   ARG  75          1HB       ARG  75  -4.810   7.541 -12.368
  577   1HG   ARG  75          1HG       ARG  75  -4.925   8.089  -9.414
  578   2HG   ARG  75          1HG       ARG  75  -5.293   9.202 -10.734
  579   1HD   ARG  75          1HD       ARG  75  -6.815   6.646 -10.465
  580   2HD   ARG  75          1HD       ARG  75  -7.224   8.021  -9.443
  581    HE   ARG  75           HE       ARG  75  -7.440   9.264 -11.648
  582   1HH1  ARG  75          1HH1      ARG  75  -8.111   5.848 -11.318
  583   2HH1  ARG  75          2HH1      ARG  75  -9.238   5.821 -12.630
  584   1HH2  ARG  75          1HH2      ARG  75  -8.923   9.220 -13.368
  585   2HH2  ARG  75          2HH2      ARG  75  -9.700   7.730 -13.792
  586    H    SER  76           H        SER  76  -4.660   3.435 -12.048
  587    HA   SER  76           HA       SER  76  -2.046   3.743 -13.340
  588   1HB   SER  76          1HB       SER  76  -2.794   1.778 -11.276
  589   2HB   SER  76          1HB       SER  76  -1.917   1.129 -12.654
  590    HG   SER  76           HG       SER  76  -0.957   2.451 -10.595
  591    H    HIS  77           H        HIS  77  -1.684   2.629 -15.193
  592    HA   HIS  77           HA       HIS  77  -4.042   1.544 -16.580
  593   1HB   HIS  77          1HB       HIS  77  -3.000   3.385 -17.724
  594   2HB   HIS  77          1HB       HIS  77  -1.401   2.697 -17.494
  595    HD1  HIS  77          1HD       HIS  77  -4.577   1.405 -19.162
  596    HD2  HIS  77          2HD       HIS  77  -0.510   1.845 -19.867
  597    HE1  HIS  77          1HE       HIS  77  -4.197   0.505 -21.477
  598    HE2  HIS  77          2HE       HIS  77  -1.759   0.942 -21.942
  599    H    ASN  78           H        ASN  78  -0.576   1.080 -16.464
  600    HA   ASN  78           HA       ASN  78  -0.637  -1.596 -17.325
  601   1HB   ASN  78          1HB       ASN  78   1.318   0.224 -17.186
  602   2HB   ASN  78          1HB       ASN  78   1.704  -0.690 -15.734
  603   1HD2  ASN  78          1HD2      ASN  78   3.096  -2.265 -16.023
  604   2HD2  ASN  78          2HD2      ASN  78   3.332  -3.163 -17.479
  605    H    ARG  79           H        ARG  79  -1.291  -3.355 -16.275
  606    HA   ARG  79           HA       ARG  79  -1.533  -3.406 -13.405
  607   1HB   ARG  79          1HB       ARG  79  -2.303  -5.224 -15.657
  608   2HB   ARG  79          1HB       ARG  79  -2.213  -5.882 -14.029
  609   1HG   ARG  79          1HG       ARG  79  -4.436  -5.274 -14.184
  610   2HG   ARG  79          1HG       ARG  79  -3.725  -3.865 -13.401
  611   1HD   ARG  79          1HD       ARG  79  -4.226  -2.525 -15.108
  612   2HD   ARG  79          1HD       ARG  79  -3.646  -3.688 -16.299
  613    HE   ARG  79           HE       ARG  79  -5.807  -4.329 -16.649
  614   1HH1  ARG  79          1HH1      ARG  79  -5.642  -2.709 -13.558
  615   2HH1  ARG  79          2HH1      ARG  79  -7.358  -2.723 -13.319
  616   1HH2  ARG  79          1HH2      ARG  79  -8.065  -4.343 -16.333
  617   2HH2  ARG  79          2HH2      ARG  79  -8.731  -3.650 -14.891
  618    H    SER  80           H        SER  80   0.889  -3.945 -15.561
  619    HA   SER  80           HA       SER  80   2.326  -5.970 -13.992
  620   1HB   SER  80          1HB       SER  80   3.934  -5.161 -16.139
  621   2HB   SER  80          1HB       SER  80   2.970  -6.634 -16.051
  622    HG   SER  80           HG       SER  80   1.192  -5.285 -16.892
  623    H    GLU  81           H        GLU  81   1.923  -2.688 -13.884
  624    HA   GLU  81           HA       GLU  81   4.719  -2.019 -13.491
  625   1HB   GLU  81          1HB       GLU  81   2.699  -0.442 -14.210
  626   2HB   GLU  81          1HB       GLU  81   2.588  -0.207 -12.472
  627   1HG   GLU  81          1HG       GLU  81   3.977   1.511 -13.165
  628   2HG   GLU  81          1HG       GLU  81   5.101   0.284 -12.580
  629    H    GLU  82           H        GLU  82   5.815  -2.289 -11.607
  630    HA   GLU  82           HA       GLU  82   4.498  -3.354  -9.293
  631   1HB   GLU  82          1HB       GLU  82   7.392  -2.522  -9.494
  632   2HB   GLU  82          1HB       GLU  82   6.684  -3.704  -8.404
  633   1HG   GLU  82          1HG       GLU  82   6.722  -5.352  -9.944
  634   2HG   GLU  82          1HG       GLU  82   6.397  -4.257 -11.287
  635    H    PHE  83           H        PHE  83   3.981  -2.341  -7.507
  636    HA   PHE  83           HA       PHE  83   4.651   0.498  -7.261
  637   1HB   PHE  83          1HB       PHE  83   2.102  -0.942  -6.903
  638   2HB   PHE  83          1HB       PHE  83   2.441   0.324  -5.731
  639    HD1  PHE  83          1HD       PHE  83   1.350  -0.399  -9.081
  640    HD2  PHE  83          2HD       PHE  83   2.995   2.613  -6.573
  641    HE1  PHE  83          1HE       PHE  83   0.674   1.317 -10.697
  642    HE2  PHE  83          2HE       PHE  83   2.298   4.329  -8.176
  643    HZ   PHE  83           HZ       PHE  83   1.141   3.686 -10.244
  644    H    LEU  84           H        LEU  84   4.100   1.307  -5.087
  645    HA   LEU  84           HA       LEU  84   5.393  -0.296  -2.952
  646   1HB   LEU  84          1HB       LEU  84   6.907   1.520  -3.783
  647   2HB   LEU  84          1HB       LEU  84   5.703   2.702  -3.323
  648    HG   LEU  84           HG       LEU  84   7.670   2.392  -1.755
  649   1HD1  LEU  84          1HD1      LEU  84   6.333   2.723   0.222
  650   2HD1  LEU  84          2HD1      LEU  84   4.923   2.036  -0.579
  651   3HD1  LEU  84          3HD1      LEU  84   5.600   3.561  -1.146
  652   1HD2  LEU  84          1HD2      LEU  84   6.178   0.006  -0.730
  653   2HD2  LEU  84          2HD2      LEU  84   7.799   0.570  -0.322
  654   3HD2  LEU  84          3HD2      LEU  84   7.489  -0.157  -1.899
  655    H    ILE  85           H        ILE  85   4.039  -0.619  -1.276
  656    HA   ILE  85           HA       ILE  85   1.901   1.382  -0.928
  657    HB   ILE  85           HB       ILE  85   1.630  -1.616  -0.789
  658   1HG1  ILE  85          1HG1      ILE  85   0.101   0.211  -2.604
  659   2HG1  ILE  85          1HG1      ILE  85   1.739  -0.276  -3.026
  660   1HG2  ILE  85          1HG2      ILE  85  -0.789   0.069  -0.695
  661   2HG2  ILE  85          2HG2      ILE  85   0.194   0.072   0.768
  662   3HG2  ILE  85          3HG2      ILE  85  -0.431  -1.447   0.129
  663   1HD1  ILE  85          1HD1      ILE  85  -0.226  -2.380  -2.285
  664   2HD1  ILE  85          2HD1      ILE  85   1.148  -2.446  -3.386
  665   3HD1  ILE  85          3HD1      ILE  85  -0.332  -1.625  -3.877
  666    H    ALA  86           H        ALA  86   1.954   2.331   0.848
  667    HA   ALA  86           HA       ALA  86   2.837   1.014   3.370
  668   1HB   ALA  86          1HB       ALA  86   4.130   2.944   3.395
  669   2HB   ALA  86          2HB       ALA  86   2.691   3.490   4.254
  670   3HB   ALA  86          3HB       ALA  86   2.910   3.898   2.559
  671    H    GLY  87           H        GLY  87   1.141   0.224   4.429
  672   1HA   GLY  87          2HA       GLY  87  -1.183   1.817   5.021
  673   2HA   GLY  87          1HA       GLY  87  -1.522   0.507   3.899
  674    H    LYS  88           H        LYS  88  -2.192   1.078   6.847
  675    HA   LYS  88           HA       LYS  88  -1.002  -1.017   8.348
  676   1HB   LYS  88          1HB       LYS  88  -3.054   1.060   8.863
  677   2HB   LYS  88          1HB       LYS  88  -3.050  -0.343   9.915
  678   1HG   LYS  88          1HG       LYS  88  -0.783   0.106  10.580
  679   2HG   LYS  88          1HG       LYS  88  -0.651   1.400   9.394
  680   1HD   LYS  88          1HD       LYS  88  -2.889   1.746  11.210
  681   2HD   LYS  88          1HD       LYS  88  -1.326   1.666  12.032
  682   1HE   LYS  88          1HE       LYS  88  -0.477   3.374  10.415
  683   2HE   LYS  88          1HE       LYS  88  -2.124   3.545   9.811
  684   1HZ   LYS  88          1HZ       LYS  88  -1.009   4.349  12.412
  685   2HZ   LYS  88          2HZ       LYS  88  -2.655   3.981  12.296
  686   3HZ   LYS  88          3HZ       LYS  88  -1.999   5.222  11.353
  687    H    LEU  89           H        LEU  89  -2.635  -2.424   9.702
  688    HA   LEU  89           HA       LEU  89  -4.342  -3.862   7.785
  689   1HB   LEU  89          1HB       LEU  89  -2.377  -4.792   9.792
  690   2HB   LEU  89          1HB       LEU  89  -3.851  -5.731   9.672
  691    HG   LEU  89           HG       LEU  89  -1.808  -5.244   7.522
  692   1HD1  LEU  89          1HD1      LEU  89  -2.830  -7.909   8.339
  693   2HD1  LEU  89          2HD1      LEU  89  -1.743  -7.079   9.452
  694   3HD1  LEU  89          3HD1      LEU  89  -1.214  -7.438   7.807
  695   1HD2  LEU  89          1HD2      LEU  89  -3.745  -7.090   6.657
  696   2HD2  LEU  89          2HD2      LEU  89  -3.433  -5.489   5.995
  697   3HD2  LEU  89          3HD2      LEU  89  -4.640  -5.699   7.261
  698    H    GLN  90           H        GLN  90  -6.315  -4.717   8.455
  699    HA   GLN  90           HA       GLN  90  -7.232  -4.005  11.137
  700   1HB   GLN  90          1HB       GLN  90  -8.690  -3.628   8.533
  701   2HB   GLN  90          1HB       GLN  90  -9.493  -3.575  10.096
  702   1HG   GLN  90          1HG       GLN  90  -7.278  -1.741   9.197
  703   2HG   GLN  90          1HG       GLN  90  -8.993  -1.337   9.259
  704   1HE2  GLN  90          1HE2      GLN  90  -6.224  -0.807  10.785
  705   2HE2  GLN  90          2HE2      GLN  90  -6.779  -0.632  12.412
  706    H    ASP  91           H        ASP  91  -7.611  -5.845  12.182
  707    HA   ASP  91           HA       ASP  91  -7.837  -8.114  12.480
  708   1HB   ASP  91          1HB       ASP  91 -10.312  -6.958  11.338
  709   2HB   ASP  91          1HB       ASP  91 -10.231  -8.715  11.434
  710    H    GLY  92           H        GLY  92  -6.330  -7.510  10.085
  711   1HA   GLY  92          2HA       GLY  92  -5.460  -9.488   8.871
  712   2HA   GLY  92          1HA       GLY  92  -7.132  -9.818   8.440
  713    H    LEU  93           H        LEU  93  -8.180  -7.621   7.571
  714    HA   LEU  93           HA       LEU  93  -7.132  -7.340   5.014
  715   1HB   LEU  93          1HB       LEU  93  -9.166  -5.501   6.233
  716   2HB   LEU  93          1HB       LEU  93  -9.073  -6.088   4.585
  717    HG   LEU  93           HG       LEU  93  -9.642  -7.937   6.885
  718   1HD1  LEU  93          1HD1      LEU  93 -11.862  -6.896   5.217
  719   2HD1  LEU  93          2HD1      LEU  93 -11.262  -5.895   6.537
  720   3HD1  LEU  93          3HD1      LEU  93 -11.876  -7.514   6.867
  721   1HD2  LEU  93          1HD2      LEU  93  -9.528  -8.133   3.978
  722   2HD2  LEU  93          2HD2      LEU  93 -10.938  -8.891   4.718
  723   3HD2  LEU  93          3HD2      LEU  93  -9.312  -9.363   5.214
  724    H    LEU  94           H        LEU  94  -6.170  -5.772   3.916
  725    HA   LEU  94           HA       LEU  94  -4.614  -3.879   5.333
  726   1HB   LEU  94          1HB       LEU  94  -3.850  -5.045   3.291
  727   2HB   LEU  94          1HB       LEU  94  -5.069  -4.184   2.373
  728    HG   LEU  94           HG       LEU  94  -3.969  -2.065   2.865
  729   1HD1  LEU  94          1HD1      LEU  94  -1.466  -3.071   3.835
  730   2HD1  LEU  94          2HD1      LEU  94  -2.768  -3.478   4.950
  731   3HD1  LEU  94          3HD1      LEU  94  -2.492  -1.798   4.490
  732   1HD2  LEU  94          1HD2      LEU  94  -2.713  -4.266   1.411
  733   2HD2  LEU  94          2HD2      LEU  94  -1.610  -2.958   1.833
  734   3HD2  LEU  94          3HD2      LEU  94  -3.061  -2.617   0.893
  735    H    HIS  95           H        HIS  95  -4.580  -1.618   4.935
  736    HA   HIS  95           HA       HIS  95  -7.060  -0.479   3.928
  737   1HB   HIS  95          1HB       HIS  95  -5.976   0.025   6.700
  738   2HB   HIS  95          1HB       HIS  95  -7.043   1.165   5.885
  739    HD1  HIS  95          1HD       HIS  95  -9.348   0.909   6.687
  740    HD2  HIS  95          2HD       HIS  95  -7.395  -2.755   6.480
  741    HE1  HIS  95          1HE       HIS  95 -11.051  -0.802   7.386
  742    HE2  HIS  95          2HE       HIS  95  -9.872  -3.016   7.168
  743    H    ILE  96           H        ILE  96  -6.785   1.403   2.864
  744    HA   ILE  96           HA       ILE  96  -4.059   2.542   2.919
  745    HB   ILE  96           HB       ILE  96  -5.225   2.845   0.297
  746   1HG1  ILE  96          1HG1      ILE  96  -6.277   0.669   0.841
  747   2HG1  ILE  96          1HG1      ILE  96  -5.095   0.547  -0.459
  748   1HG2  ILE  96          1HG2      ILE  96  -2.903   1.346   0.098
  749   2HG2  ILE  96          2HG2      ILE  96  -2.676   2.300   1.564
  750   3HG2  ILE  96          3HG2      ILE  96  -3.031   3.102   0.036
  751   1HD1  ILE  96          1HD1      ILE  96  -3.594   0.037   1.782
  752   2HD1  ILE  96          2HD1      ILE  96  -4.256  -1.166   0.680
  753   3HD1  ILE  96          3HD1      ILE  96  -5.137  -0.737   2.141
  754    H    THR  97           H        THR  97  -3.840   4.704   2.607
  755    HA   THR  97           HA       THR  97  -6.297   6.221   2.219
  756    HB   THR  97           HB       THR  97  -5.448   7.790   4.054
  757    HG1  THR  97          1HG       THR  97  -3.393   7.049   4.354
  758   1HG2  THR  97          1HG2      THR  97  -6.748   6.802   5.610
  759   2HG2  THR  97          2HG2      THR  97  -5.997   5.222   5.394
  760   3HG2  THR  97          3HG2      THR  97  -7.206   5.789   4.242
  761    H    THR  98           H        THR  98  -6.109   8.038   1.081
  762    HA   THR  98           HA       THR  98  -3.887   8.409  -0.595
  763    HB   THR  98           HB       THR  98  -5.791   9.242  -1.543
  764    HG1  THR  98          1HG       THR  98  -4.811  11.602  -0.325
  765   1HG2  THR  98          1HG2      THR  98  -6.502  10.500   1.088
  766   2HG2  THR  98          2HG2      THR  98  -7.321   9.174   0.264
  767   3HG2  THR  98          3HG2      THR  98  -7.371  10.797  -0.416
  768    H    CYS  99           H        CYS  99  -4.039   9.034   2.562
  769    HA   CYS  99           HA       CYS  99  -1.991  11.131   2.390
  770   1HB   CYS  99          1HB       CYS  99  -3.968  11.971   3.600
  771   2HB   CYS  99          1HB       CYS  99  -3.743  10.733   4.813
  772    H    SER 100           H        SER 100  -1.744   8.297   2.134
  773    HA   SER 100           HA       SER 100   0.149   7.776   4.318
  774   1HB   SER 100          1HB       SER 100  -1.954   6.068   3.150
  775   2HB   SER 100          1HB       SER 100  -0.373   5.292   3.192
  776    HG   SER 100           HG       SER 100  -1.834   6.385   5.356
  777    H    PHE 101           H        PHE 101   2.122   6.663   3.598
  778    HA   PHE 101           HA       PHE 101   3.031   7.735   1.149
  779   1HB   PHE 101          1HB       PHE 101   4.483   7.232   3.133
  780   2HB   PHE 101          1HB       PHE 101   4.410   5.533   2.674
  781    HD1  PHE 101          1HD       PHE 101   6.269   8.458   2.414
  782    HD2  PHE 101          2HD       PHE 101   5.011   5.115   0.107
  783    HE1  PHE 101          1HE       PHE 101   8.150   8.824   0.873
  784    HE2  PHE 101          2HE       PHE 101   6.888   5.473  -1.439
  785    HZ   PHE 101           HZ       PHE 101   8.460   7.330  -1.061
  786    H    VAL 102           H        VAL 102   2.151   7.001  -0.772
  787    HA   VAL 102           HA       VAL 102   2.511   4.167  -1.360
  788    HB   VAL 102           HB       VAL 102  -0.164   5.362  -2.021
  789   1HG1  VAL 102          1HG1      VAL 102   0.349   3.394  -3.233
  790   2HG1  VAL 102          2HG1      VAL 102  -0.775   2.913  -1.962
  791   3HG1  VAL 102          3HG1      VAL 102   0.944   2.581  -1.791
  792   1HG2  VAL 102          1HG2      VAL 102  -0.222   3.536   0.249
  793   2HG2  VAL 102          2HG2      VAL 102  -1.043   5.079   0.022
  794   3HG2  VAL 102          3HG2      VAL 102   0.611   5.041   0.614
  795    H    ALA 103           H        ALA 103   3.815   4.343  -3.087
  796    HA   ALA 103           HA       ALA 103   2.708   5.483  -5.517
  797   1HB   ALA 103          1HB       ALA 103   5.419   6.531  -4.932
  798   2HB   ALA 103          2HB       ALA 103   4.050   7.268  -4.099
  799   3HB   ALA 103          3HB       ALA 103   4.096   7.241  -5.861
  800    HA   PRO 104           HA       PRO 104   5.039   2.576  -7.910
  801   1HB   PRO 104          1HB       PRO 104   6.714   4.737  -9.060
  802   2HB   PRO 104          1HB       PRO 104   5.808   3.463  -9.881
  803   1HG   PRO 104          1HG       PRO 104   4.872   5.951  -9.843
  804   2HG   PRO 104          1HG       PRO 104   3.756   4.594  -9.594
  805   1HD   PRO 104          1HD       PRO 104   4.931   6.483  -7.581
  806   2HD   PRO 104          1HD       PRO 104   3.293   5.806  -7.658
  807    H    TRP 105           H        TRP 105   6.479   1.258  -7.060
  808    HA   TRP 105           HA       TRP 105   8.684   1.841  -5.500
  809   1HB   TRP 105          1HB       TRP 105   7.808  -0.442  -6.105
  810   2HB   TRP 105          1HB       TRP 105   8.520  -0.261  -7.680
  811    HD1  TRP 105           HD       TRP 105  10.799  -1.328  -7.926
  812    HE1  TRP 105          1HE       TRP 105  12.656  -2.093  -6.330
  813    HE3  TRP 105          3HE       TRP 105   8.818   0.344  -3.528
  814    HZ2  TRP 105          2HZ       TRP 105  13.214  -2.001  -3.568
  815    HZ3  TRP 105          3HZ       TRP 105  10.081  -0.024  -1.448
  816    HH2  TRP 105           HH       TRP 105  12.237  -1.171  -1.473
  817    H    ASN 106           H        ASN 106   8.365   1.323  -8.898
  818    HA   ASN 106           HA       ASN 106  10.778   1.741  -9.825
  819   1HB   ASN 106          1HB       ASN 106   8.136   2.194 -11.003
  820   2HB   ASN 106          1HB       ASN 106   9.518   2.846 -11.879
  821   1HD2  ASN 106          1HD2      ASN 106   7.644   0.133 -11.324
  822   2HD2  ASN 106          2HD2      ASN 106   8.668  -1.052 -12.054
  823    H    SER 107           H        SER 107   8.836   4.234  -8.488
  824    HA   SER 107           HA       SER 107  10.536   6.307  -9.604
  825   1HB   SER 107          1HB       SER 107   8.039   6.594  -9.468
  826   2HB   SER 107          1HB       SER 107   8.215   6.669  -7.716
  827    HG   SER 107           HG       SER 107   9.923   8.372  -8.969
  828    H    LEU 108           H        LEU 108  10.849   4.279  -7.219
  829    HA   LEU 108           HA       LEU 108  11.655   6.034  -5.091
  830   1HB   LEU 108          1HB       LEU 108  11.318   3.159  -5.541
  831   2HB   LEU 108          1HB       LEU 108  12.508   3.587  -4.328
  832    HG   LEU 108           HG       LEU 108  10.700   4.986  -3.237
  833   1HD1  LEU 108          1HD1      LEU 108   9.330   4.532  -5.554
  834   2HD1  LEU 108          2HD1      LEU 108   8.625   5.085  -4.035
  835   3HD1  LEU 108          3HD1      LEU 108   8.599   3.372  -4.446
  836   1HD2  LEU 108          1HD2      LEU 108  10.159   3.257  -1.898
  837   2HD2  LEU 108          2HD2      LEU 108  11.413   2.441  -2.832
  838   3HD2  LEU 108          3HD2      LEU 108   9.712   2.209  -3.236
  839    H    SER 109           H        SER 109  13.643   5.945  -4.090
  840    HA   SER 109           HA       SER 109  15.923   6.293  -5.815
  841   1HB   SER 109          1HB       SER 109  16.136   5.857  -2.847
  842   2HB   SER 109          1HB       SER 109  17.106   6.889  -3.891
  843    HG   SER 109           HG       SER 109  15.707   8.446  -3.640
  844    H    LEU 110           H        LEU 110  17.693   5.169  -5.922
  845    HA   LEU 110           HA       LEU 110  17.363   2.386  -6.177
  846   1HB   LEU 110          1HB       LEU 110  19.926   2.551  -6.471
  847   2HB   LEU 110          1HB       LEU 110  18.847   3.253  -7.634
  848    HG   LEU 110           HG       LEU 110  20.953   4.520  -6.724
  849   1HD1  LEU 110          1HD1      LEU 110  18.375   5.516  -7.742
  850   2HD1  LEU 110          2HD1      LEU 110  19.969   5.519  -8.497
  851   3HD1  LEU 110          3HD1      LEU 110  19.594   6.682  -7.228
  852   1HD2  LEU 110          1HD2      LEU 110  20.172   4.596  -4.405
  853   2HD2  LEU 110          2HD2      LEU 110  18.857   5.651  -4.945
  854   3HD2  LEU 110          3HD2      LEU 110  20.527   6.172  -5.102
  855    H    ALA 111           H        ALA 111  18.488   4.452  -3.725
  856    HA   ALA 111           HA       ALA 111  19.655   2.342  -2.199
  857   1HB   ALA 111          1HB       ALA 111  20.229   4.958  -2.422
  858   2HB   ALA 111          2HB       ALA 111  20.686   3.982  -1.018
  859   3HB   ALA 111          3HB       ALA 111  19.226   4.976  -0.968
  860    H    GLN 112           H        GLN 112  16.737   4.243  -2.429
  861    HA   GLN 112           HA       GLN 112  15.669   3.242   0.029
  862   1HB   GLN 112          1HB       GLN 112  15.314   5.572  -0.734
  863   2HB   GLN 112          1HB       GLN 112  14.536   4.966  -2.188
  864   1HG   GLN 112          1HG       GLN 112  12.741   4.063  -0.911
  865   2HG   GLN 112          1HG       GLN 112  13.537   4.507   0.593
  866   1HE2  GLN 112          1HE2      GLN 112  14.085   6.904   0.730
  867   2HE2  GLN 112          2HE2      GLN 112  12.863   8.001   0.194
  868    H    ARG 113           H        ARG 113  16.190   2.096  -2.971
  869    HA   ARG 113           HA       ARG 113  13.756   0.563  -3.224
  870   1HB   ARG 113          1HB       ARG 113  15.765   1.374  -5.027
  871   2HB   ARG 113          1HB       ARG 113  16.010  -0.353  -4.822
  872   1HG   ARG 113          1HG       ARG 113  14.526  -0.499  -6.490
  873   2HG   ARG 113          1HG       ARG 113  13.362  -0.285  -5.196
  874   1HD   ARG 113          1HD       ARG 113  12.641   1.612  -6.044
  875   2HD   ARG 113          1HD       ARG 113  14.285   2.271  -6.100
  876    HE   ARG 113           HE       ARG 113  12.850   0.907  -8.254
  877   1HH1  ARG 113          1HH1      ARG 113  15.777   2.443  -7.141
  878   2HH1  ARG 113          2HH1      ARG 113  16.453   2.586  -8.727
  879   1HH2  ARG 113          1HH2      ARG 113  13.745   1.087 -10.341
  880   2HH2  ARG 113          2HH2      ARG 113  15.302   1.819 -10.541
  881    H    ARG 114           H        ARG 114  17.164   0.330  -2.304
  882    HA   ARG 114           HA       ARG 114  16.822  -2.427  -1.484
  883   1HB   ARG 114          1HB       ARG 114  19.070  -2.503  -1.133
  884   2HB   ARG 114          1HB       ARG 114  19.001  -1.188  -2.284
  885   1HG   ARG 114          1HG       ARG 114  20.527  -0.514  -0.653
  886   2HG   ARG 114          1HG       ARG 114  19.051   0.359  -0.279
  887   1HD   ARG 114          1HD       ARG 114  18.881  -0.614   1.727
  888   2HD   ARG 114          1HD       ARG 114  19.145  -2.217   1.045
  889    HE   ARG 114           HE       ARG 114  21.352  -2.068   1.650
  890   1HH1  ARG 114          1HH1      ARG 114  19.935   1.106   1.777
  891   2HH1  ARG 114          2HH1      ARG 114  21.316   1.834   2.524
  892   1HH2  ARG 114          1HH2      ARG 114  23.174  -1.122   2.639
  893   2HH2  ARG 114          2HH2      ARG 114  23.158   0.569   3.015
  894    H    GLY 115           H        GLY 115  17.396   0.644   0.161
  895   1HA   GLY 115          2HA       GLY 115  17.251  -0.223   2.755
  896   2HA   GLY 115          1HA       GLY 115  16.728   1.365   2.206
  897    H    PHE 116           H        PHE 116  14.452   0.789   0.709
  898    HA   PHE 116           HA       PHE 116  12.610   0.363   2.806
  899   1HB   PHE 116          1HB       PHE 116  12.370   0.495  -0.154
  900   2HB   PHE 116          1HB       PHE 116  11.050  -0.292   0.698
  901    HD1  PHE 116          1HD       PHE 116  10.819   1.283   3.132
  902    HD2  PHE 116          2HD       PHE 116  11.592   2.517  -0.848
  903    HE1  PHE 116          1HE       PHE 116   9.785   3.465   3.619
  904    HE2  PHE 116          2HE       PHE 116  10.563   4.697  -0.376
  905    HZ   PHE 116           HZ       PHE 116   9.650   5.167   1.852
  906    H    THR 117           H        THR 117  14.518  -1.830   1.170
  907    HA   THR 117           HA       THR 117  12.742  -4.063   1.736
  908    HB   THR 117           HB       THR 117  14.388  -3.588  -0.405
  909    HG1  THR 117          1HG       THR 117  13.971  -5.831  -0.859
  910   1HG2  THR 117          1HG2      THR 117  16.445  -4.080   0.743
  911   2HG2  THR 117          2HG2      THR 117  16.077  -5.371  -0.395
  912   3HG2  THR 117          3HG2      THR 117  15.796  -5.608   1.330
  913    H    LYS 118           H        LYS 118  15.397  -2.325   3.003
  914    HA   LYS 118           HA       LYS 118  15.681  -4.321   5.118
  915   1HB   LYS 118          1HB       LYS 118  18.016  -4.407   4.982
  916   2HB   LYS 118          1HB       LYS 118  17.455  -4.504   3.315
  917   1HG   LYS 118          1HG       LYS 118  18.142  -2.334   2.826
  918   2HG   LYS 118          1HG       LYS 118  18.273  -1.885   4.527
  919   1HD   LYS 118          1HD       LYS 118  20.487  -2.174   3.707
  920   2HD   LYS 118          1HD       LYS 118  20.127  -3.566   4.729
  921   1HE   LYS 118          1HE       LYS 118  19.605  -3.732   1.794
  922   2HE   LYS 118          1HE       LYS 118  21.258  -3.884   2.383
  923   1HZ   LYS 118          1HZ       LYS 118  19.189  -5.796   2.387
  924   2HZ   LYS 118          2HZ       LYS 118  19.692  -5.513   3.977
  925   3HZ   LYS 118          3HZ       LYS 118  20.816  -5.989   2.806
  926    H    THR 119           H        THR 119  16.181  -0.975   4.178
  927    HA   THR 119           HA       THR 119  17.244  -0.012   6.596
  928    HB   THR 119           HB       THR 119  16.351   2.231   5.710
  929    HG1  THR 119          1HG       THR 119  16.003   2.159   3.468
  930   1HG2  THR 119          1HG2      THR 119  18.302   0.761   3.924
  931   2HG2  THR 119          2HG2      THR 119  18.738   1.415   5.502
  932   3HG2  THR 119          3HG2      THR 119  18.207   2.499   4.216
  933    H    TYR 120           H        TYR 120  13.752   0.062   5.568
  934    HA   TYR 120           HA       TYR 120  13.381   1.893   7.710
  935   1HB   TYR 120          1HB       TYR 120  11.352   0.772   5.825
  936   2HB   TYR 120          1HB       TYR 120  11.163   2.125   6.916
  937    HD1  TYR 120          1HD       TYR 120  13.593   1.151   4.246
  938    HD2  TYR 120          2HD       TYR 120  11.143   4.151   5.981
  939    HE1  TYR 120          1HE       TYR 120  14.287   2.726   2.486
  940    HE2  TYR 120          2HE       TYR 120  11.809   5.724   4.229
  941    HH   TYR 120           HH       TYR 120  12.839   5.928   2.229
  942    H    THR 121           H        THR 121  13.933  -0.950   8.386
  943    HA   THR 121           HA       THR 121  11.435  -1.640   9.719
  944    HB   THR 121           HB       THR 121  11.952  -3.691   9.119
  945    HG1  THR 121          1HG       THR 121  14.382  -3.694  10.521
  946   1HG2  THR 121          1HG2      THR 121  14.809  -3.581   8.572
  947   2HG2  THR 121          2HG2      THR 121  13.877  -2.385   7.671
  948   3HG2  THR 121          3HG2      THR 121  13.471  -4.092   7.545
  949    H    VAL 122           H        VAL 122  14.525  -0.685  10.151
  950    HA   VAL 122           HA       VAL 122  14.290  -0.351  13.073
  951    HB   VAL 122           HB       VAL 122  16.931  -0.902  11.761
  952   1HG1  VAL 122          1HG1      VAL 122  16.200  -1.208  14.660
  953   2HG1  VAL 122          2HG1      VAL 122  16.751   0.327  13.992
  954   3HG1  VAL 122          3HG1      VAL 122  17.804  -1.085  13.937
  955   1HG2  VAL 122          1HG2      VAL 122  14.911  -2.787  12.897
  956   2HG2  VAL 122          2HG2      VAL 122  16.630  -3.158  13.030
  957   3HG2  VAL 122          3HG2      VAL 122  15.894  -2.940  11.442
  958    H    GLY 123           H        GLY 123  15.342   0.938  10.032
  959   1HA   GLY 123          2HA       GLY 123  16.073   3.457  11.378
  960   2HA   GLY 123          1HA       GLY 123  16.841   2.884   9.905
  961    H    CYS 124           H        CYS 124  13.471   2.523  10.430
  962    HA   CYS 124           HA       CYS 124  12.591   3.645   8.051
  963   1HB   CYS 124          1HB       CYS 124  10.372   3.616   9.105
  964   2HB   CYS 124          1HB       CYS 124  11.292   2.168   9.530
  965    H    GLU 125           H        GLU 125  14.262   5.604   8.395
  966    HA   GLU 125           HA       GLU 125  12.627   7.823   9.376
  967   1HB   GLU 125          1HB       GLU 125  15.243   8.712   9.665
  968   2HB   GLU 125          1HB       GLU 125  14.124   8.262  10.943
  969   1HG   GLU 125          1HG       GLU 125  14.934   5.877  10.578
  970   2HG   GLU 125          1HG       GLU 125  16.261   6.604   9.665
  971    H    GLU 126           H        GLU 126  12.259   7.404   6.791
  972    HA   GLU 126           HA       GLU 126  14.088   9.271   5.481
  973   1HB   GLU 126          1HB       GLU 126  12.590   6.949   4.483
  974   2HB   GLU 126          1HB       GLU 126  12.797   8.296   3.381
  975   1HG   GLU 126          1HG       GLU 126  15.139   7.169   4.853
  976   2HG   GLU 126          1HG       GLU 126  14.538   6.388   3.397
  Start of MODEL   23
    1   1H    CYS   1          1HT       CYS   1  -7.909  14.733   4.218
    2   2H    CYS   1          2HT       CYS   1  -7.742  14.193   5.835
    3   3H    CYS   1          3HT       CYS   1  -9.276  14.148   5.071
    4    HA   CYS   1           HA       CYS   1  -7.386  12.170   5.215
    5   1HB   CYS   1          1HB       CYS   1 -10.064  12.657   4.064
    6   2HB   CYS   1          1HB       CYS   1  -9.191  11.289   3.396
    7    H    THR   2           H        THR   2  -8.108  14.310   2.479
    8    HA   THR   2           HA       THR   2  -6.226  12.767   0.866
    9    HB   THR   2           HB       THR   2  -7.120  14.094  -1.058
   10    HG1  THR   2          1HG       THR   2  -9.257  14.860   0.588
   11   1HG2  THR   2          1HG2      THR   2  -8.093  11.987  -0.896
   12   2HG2  THR   2          2HG2      THR   2  -9.465  13.092  -0.962
   13   3HG2  THR   2          3HG2      THR   2  -8.964  12.399   0.580
   14    H    CYS   3           H        CYS   3  -4.295  13.444   1.634
   15    HA   CYS   3           HA       CYS   3  -3.612  16.283   1.243
   16   1HB   CYS   3          1HB       CYS   3  -1.870  15.922   2.974
   17   2HB   CYS   3          1HB       CYS   3  -3.480  15.611   3.595
   18    H    VAL   4           H        VAL   4  -0.961  16.293   1.178
   19    HA   VAL   4           HA       VAL   4  -0.336  14.807  -1.256
   20    HB   VAL   4           HB       VAL   4   1.483  16.315  -1.575
   21   1HG1  VAL   4          1HG1      VAL   4   0.388  18.426  -1.681
   22   2HG1  VAL   4          2HG1      VAL   4  -0.740  17.963  -0.406
   23   3HG1  VAL   4          3HG1      VAL   4  -0.816  17.173  -1.980
   24   1HG2  VAL   4          1HG2      VAL   4   2.442  16.363   0.621
   25   2HG2  VAL   4          2HG2      VAL   4   1.030  17.200   1.266
   26   3HG2  VAL   4          3HG2      VAL   4   2.095  18.019   0.123
   27    HA   PRO   5           HA       PRO   5   2.459  11.644  -0.022
   28   1HB   PRO   5          1HB       PRO   5   4.667  13.562  -0.703
   29   2HB   PRO   5          1HB       PRO   5   4.561  11.823  -1.017
   30   1HG   PRO   5          1HG       PRO   5   3.963  13.583  -2.927
   31   2HG   PRO   5          1HG       PRO   5   3.031  12.087  -2.739
   32   1HD   PRO   5          1HD       PRO   5   2.245  14.864  -2.167
   33   2HD   PRO   5          1HD       PRO   5   1.224  13.452  -2.464
   34    HA   PRO   6           HA       PRO   6   3.536  13.182   4.132
   35   1HB   PRO   6          1HB       PRO   6   2.495  10.933   5.352
   36   2HB   PRO   6          1HB       PRO   6   1.589  12.408   5.020
   37   1HG   PRO   6          1HG       PRO   6   1.209   9.832   3.861
   38   2HG   PRO   6          1HG       PRO   6   0.352  11.330   3.475
   39   1HD   PRO   6          1HD       PRO   6   2.602  10.022   2.061
   40   2HD   PRO   6          1HD       PRO   6   1.352  11.119   1.435
   41    H    HIS   7           H        HIS   7   5.487  12.967   4.909
   42    HA   HIS   7           HA       HIS   7   7.510  11.578   4.178
   43   1HB   HIS   7          1HB       HIS   7   8.071  11.413   6.791
   44   2HB   HIS   7          1HB       HIS   7   8.102  12.927   5.894
   45    HD1  HIS   7          1HD       HIS   7   5.105  11.088   7.333
   46    HD2  HIS   7          2HD       HIS   7   7.095  14.718   7.677
   47    HE1  HIS   7          1HE       HIS   7   3.726  12.461   8.925
   48    HE2  HIS   7          2HE       HIS   7   4.880  14.698   9.013
   49    HA   PRO   8           HA       PRO   8   6.929   7.178   4.616
   50   1HB   PRO   8          1HB       PRO   8   9.429   6.484   4.042
   51   2HB   PRO   8          1HB       PRO   8   8.380   7.170   2.786
   52   1HG   PRO   8          1HG       PRO   8  10.302   8.615   4.589
   53   2HG   PRO   8          1HG       PRO   8  10.295   8.607   2.808
   54   1HD   PRO   8          1HD       PRO   8   9.135  10.599   4.111
   55   2HD   PRO   8          1HD       PRO   8   8.289   9.851   2.734
   56    H    GLN   9           H        GLN   9   8.699   9.279   6.459
   57    HA   GLN   9           HA       GLN   9  10.039   7.429   8.157
   58   1HB   GLN   9          1HB       GLN   9  11.012   9.392   8.766
   59   2HB   GLN   9          1HB       GLN   9   9.850  10.277   7.829
   60   1HG   GLN   9          1HG       GLN   9   8.754   9.464  10.383
   61   2HG   GLN   9          1HG       GLN   9  10.231  10.403  10.562
   62   1HE2  GLN   9          1HE2      GLN   9  10.305  12.345   9.027
   63   2HE2  GLN   9          2HE2      GLN   9   8.871  13.306   8.969
   64    H    THR  10           H        THR  10   6.981   9.158   8.125
   65    HA   THR  10           HA       THR  10   6.127   7.902  10.555
   66    HB   THR  10           HB       THR  10   5.431  10.191   8.851
   67    HG1  THR  10          1HG       THR  10   6.240  10.601  10.828
   68   1HG2  THR  10          1HG2      THR  10   3.283   8.409   9.416
   69   2HG2  THR  10          2HG2      THR  10   3.272   9.966   8.580
   70   3HG2  THR  10          3HG2      THR  10   3.084   9.900  10.336
   71    H    ALA  11           H        ALA  11   5.403   8.052   7.033
   72    HA   ALA  11           HA       ALA  11   3.221   6.331   6.992
   73   1HB   ALA  11          1HB       ALA  11   3.454   6.283   4.731
   74   2HB   ALA  11          2HB       ALA  11   5.215   6.311   4.800
   75   3HB   ALA  11          3HB       ALA  11   4.296   7.777   5.145
   76    H    PHE  12           H        PHE  12   6.718   5.540   6.778
   77    HA   PHE  12           HA       PHE  12   6.193   2.775   6.336
   78   1HB   PHE  12          1HB       PHE  12   8.473   4.181   6.106
   79   2HB   PHE  12          1HB       PHE  12   8.717   3.555   7.730
   80    HD1  PHE  12          1HD       PHE  12   8.602   2.739   4.201
   81    HD2  PHE  12          2HD       PHE  12   8.803   1.078   8.129
   82    HE1  PHE  12          1HE       PHE  12   9.298   0.572   3.270
   83    HE2  PHE  12          2HE       PHE  12   9.500  -1.076   7.178
   84    HZ   PHE  12           HZ       PHE  12   9.749  -1.330   4.745
   85    H    CYS  13           H        CYS  13   7.526   4.379   9.245
   86    HA   CYS  13           HA       CYS  13   7.308   2.205  10.864
   87   1HB   CYS  13          1HB       CYS  13   7.827   5.066  11.166
   88   2HB   CYS  13          1HB       CYS  13   7.191   4.289  12.612
   89    H    ASN  14           H        ASN  14   4.745   4.746  10.359
   90    HA   ASN  14           HA       ASN  14   3.243   3.820  12.544
   91   1HB   ASN  14          1HB       ASN  14   3.154   5.947  10.740
   92   2HB   ASN  14          1HB       ASN  14   1.753   4.983  10.305
   93   1HD2  ASN  14          1HD2      ASN  14   0.205   6.336  11.020
   94   2HD2  ASN  14          2HD2      ASN  14  -0.013   6.776  12.677
   95    H    SER  15           H        SER  15   3.232   3.165   9.003
   96    HA   SER  15           HA       SER  15   1.049   1.508   8.948
   97   1HB   SER  15          1HB       SER  15   3.130   2.303   7.162
   98   2HB   SER  15          1HB       SER  15   2.661   0.652   6.905
   99    HG   SER  15           HG       SER  15   1.413   2.810   6.084
  100    H    ASP  16           H        ASP  16   0.778  -0.346   9.224
  101    HA   ASP  16           HA       ASP  16   2.638  -2.166  10.390
  102   1HB   ASP  16          1HB       ASP  16  -0.291  -2.055  10.042
  103   2HB   ASP  16          1HB       ASP  16   0.473  -3.511  10.674
  104    H    LEU  17           H        LEU  17   2.341  -1.517   7.472
  105    HA   LEU  17           HA       LEU  17   3.497  -3.766   6.645
  106   1HB   LEU  17          1HB       LEU  17   1.547  -4.158   4.700
  107   2HB   LEU  17          1HB       LEU  17   2.257  -5.264   5.834
  108    HG   LEU  17           HG       LEU  17   0.294  -4.135   7.342
  109   1HD1  LEU  17          1HD1      LEU  17  -1.113  -4.769   4.824
  110   2HD1  LEU  17          2HD1      LEU  17  -0.311  -3.203   4.887
  111   3HD1  LEU  17          3HD1      LEU  17  -1.533  -3.616   6.090
  112   1HD2  LEU  17          1HD2      LEU  17   1.062  -6.585   6.088
  113   2HD2  LEU  17          2HD2      LEU  17  -0.695  -6.412   5.980
  114   3HD2  LEU  17          3HD2      LEU  17   0.103  -6.346   7.553
  115    H    VAL  18           H        VAL  18   4.641  -3.604   4.945
  116    HA   VAL  18           HA       VAL  18   4.053  -1.486   3.019
  117    HB   VAL  18           HB       VAL  18   6.851  -1.929   4.041
  118   1HG1  VAL  18          1HG1      VAL  18   6.994   0.506   3.208
  119   2HG1  VAL  18          2HG1      VAL  18   5.457   0.175   2.411
  120   3HG1  VAL  18          3HG1      VAL  18   6.882  -0.787   2.014
  121   1HG2  VAL  18          1HG2      VAL  18   4.776  -0.780   5.599
  122   2HG2  VAL  18          2HG2      VAL  18   5.812   0.539   5.062
  123   3HG2  VAL  18          3HG2      VAL  18   6.503  -0.821   5.943
  124    H    ILE  19           H        ILE  19   4.415  -2.224   0.985
  125    HA   ILE  19           HA       ILE  19   6.101  -4.576   0.605
  126    HB   ILE  19           HB       ILE  19   4.221  -5.592  -0.668
  127   1HG1  ILE  19          1HG1      ILE  19   2.247  -3.838   0.660
  128   2HG1  ILE  19          1HG1      ILE  19   3.134  -3.128  -0.684
  129   1HG2  ILE  19          1HG2      ILE  19   2.840  -5.343   1.837
  130   2HG2  ILE  19          2HG2      ILE  19   4.571  -5.566   2.074
  131   3HG2  ILE  19          3HG2      ILE  19   3.657  -6.725   1.117
  132   1HD1  ILE  19          1HD1      ILE  19   2.399  -5.491  -1.747
  133   2HD1  ILE  19          2HD1      ILE  19   1.487  -4.001  -1.910
  134   3HD1  ILE  19          3HD1      ILE  19   1.045  -5.175  -0.671
  135    H    ARG  20           H        ARG  20   5.372  -5.162  -1.939
  136    HA   ARG  20           HA       ARG  20   5.342  -2.764  -3.472
  137   1HB   ARG  20          1HB       ARG  20   7.244  -3.157  -4.743
  138   2HB   ARG  20          1HB       ARG  20   7.797  -3.623  -3.143
  139   1HG   ARG  20          1HG       ARG  20   7.489  -5.951  -3.681
  140   2HG   ARG  20          1HG       ARG  20   6.810  -5.511  -5.242
  141   1HD   ARG  20          1HD       ARG  20   9.195  -4.180  -5.252
  142   2HD   ARG  20          1HD       ARG  20   9.592  -5.675  -4.407
  143    HE   ARG  20           HE       ARG  20   8.366  -5.576  -7.087
  144   1HH1  ARG  20          1HH1      ARG  20  10.538  -7.042  -4.776
  145   2HH1  ARG  20          2HH1      ARG  20  11.062  -8.266  -5.877
  146   1HH2  ARG  20          1HH2      ARG  20   9.040  -7.204  -8.510
  147   2HH2  ARG  20          2HH2      ARG  20  10.208  -8.371  -7.985
  148    H    ALA  21           H        ALA  21   3.930  -3.051  -4.955
  149    HA   ALA  21           HA       ALA  21   3.220  -5.671  -6.085
  150   1HB   ALA  21          1HB       ALA  21   1.348  -4.234  -4.242
  151   2HB   ALA  21          2HB       ALA  21   1.885  -5.913  -4.195
  152   3HB   ALA  21          3HB       ALA  21   0.762  -5.380  -5.449
  153    H    LYS  22           H        LYS  22   1.438  -5.672  -7.515
  154    HA   LYS  22           HA       LYS  22   1.219  -3.243  -9.177
  155   1HB   LYS  22          1HB       LYS  22   1.580  -6.112  -9.767
  156   2HB   LYS  22          1HB       LYS  22   0.425  -5.294 -10.796
  157   1HG   LYS  22          1HG       LYS  22   2.063  -4.206 -11.901
  158   2HG   LYS  22          1HG       LYS  22   2.971  -3.888 -10.424
  159   1HD   LYS  22          1HD       LYS  22   4.228  -5.354 -11.922
  160   2HD   LYS  22          1HD       LYS  22   3.794  -6.193 -10.438
  161   1HE   LYS  22          1HE       LYS  22   1.997  -7.324 -11.518
  162   2HE   LYS  22          1HE       LYS  22   2.217  -6.380 -12.975
  163   1HZ   LYS  22          1HZ       LYS  22   4.574  -7.399 -12.929
  164   2HZ   LYS  22          2HZ       LYS  22   3.279  -8.317 -13.511
  165   3HZ   LYS  22          3HZ       LYS  22   3.860  -8.575 -11.943
  166    H    PHE  23           H        PHE  23  -0.898  -2.712  -9.991
  167    HA   PHE  23           HA       PHE  23  -3.106  -3.854  -8.410
  168   1HB   PHE  23          1HB       PHE  23  -2.704  -1.301  -9.944
  169   2HB   PHE  23          1HB       PHE  23  -4.337  -1.887  -9.654
  170    HD1  PHE  23          1HD       PHE  23  -5.299  -1.851  -7.458
  171    HD2  PHE  23          2HD       PHE  23  -1.302  -0.546  -8.112
  172    HE1  PHE  23          1HE       PHE  23  -5.287  -0.789  -5.239
  173    HE2  PHE  23          2HE       PHE  23  -1.283   0.513  -5.890
  174    HZ   PHE  23           HZ       PHE  23  -3.275   0.393  -4.453
  175    H    VAL  24           H        VAL  24  -4.315  -5.251  -9.114
  176    HA   VAL  24           HA       VAL  24  -4.549  -5.718 -11.985
  177    HB   VAL  24           HB       VAL  24  -5.528  -7.945 -10.954
  178   1HG1  VAL  24          1HG1      VAL  24  -3.507  -7.531 -12.450
  179   2HG1  VAL  24          2HG1      VAL  24  -3.549  -9.017 -11.502
  180   3HG1  VAL  24          3HG1      VAL  24  -2.580  -7.651 -10.959
  181   1HG2  VAL  24          1HG2      VAL  24  -3.447  -7.880  -8.990
  182   2HG2  VAL  24          2HG2      VAL  24  -5.088  -8.489  -8.875
  183   3HG2  VAL  24          3HG2      VAL  24  -4.769  -6.779  -8.619
  184    H    GLY  25           H        GLY  25  -6.825  -7.020  -9.619
  185   1HA   GLY  25          2HA       GLY  25  -9.068  -6.424 -11.050
  186   2HA   GLY  25          1HA       GLY  25  -9.069  -6.691  -9.324
  187    H    THR  26           H        THR  26 -11.006  -5.243 -10.045
  188    HA   THR  26           HA       THR  26 -10.308  -2.383  -9.867
  189    HB   THR  26           HB       THR  26 -11.673  -3.117 -11.796
  190    HG1  THR  26          1HG       THR  26 -12.070  -1.049 -11.150
  191   1HG2  THR  26          1HG2      THR  26 -14.189  -3.489 -10.996
  192   2HG2  THR  26          2HG2      THR  26 -13.337  -4.307  -9.688
  193   3HG2  THR  26          3HG2      THR  26 -13.077  -4.807 -11.360
  194    HA   PRO  27           HA       PRO  27 -11.908  -2.066  -5.759
  195   1HB   PRO  27          1HB       PRO  27 -12.993   0.407  -5.720
  196   2HB   PRO  27          1HB       PRO  27 -11.258   0.103  -5.783
  197   1HG   PRO  27          1HG       PRO  27 -13.129   0.786  -8.011
  198   2HG   PRO  27          1HG       PRO  27 -11.519   1.446  -7.664
  199   1HD   PRO  27          1HD       PRO  27 -11.922  -0.457  -9.522
  200   2HD   PRO  27          1HD       PRO  27 -10.437  -0.380  -8.563
  201    H    GLU  28           H        GLU  28 -13.523  -3.045  -4.843
  202    HA   GLU  28           HA       GLU  28 -16.193  -3.001  -6.029
  203   1HB   GLU  28          1HB       GLU  28 -16.781  -4.667  -4.394
  204   2HB   GLU  28          1HB       GLU  28 -15.196  -5.091  -5.025
  205   1HG   GLU  28          1HG       GLU  28 -14.121  -4.315  -3.087
  206   2HG   GLU  28          1HG       GLU  28 -15.591  -3.573  -2.473
  207    H    VAL  29           H        VAL  29 -17.496  -1.264  -5.569
  208    HA   VAL  29           HA       VAL  29 -17.021   0.085  -3.004
  209    HB   VAL  29           HB       VAL  29 -18.642   1.279  -5.193
  210   1HG1  VAL  29          1HG1      VAL  29 -18.665   2.393  -3.047
  211   2HG1  VAL  29          2HG1      VAL  29 -17.828   3.378  -4.248
  212   3HG1  VAL  29          3HG1      VAL  29 -16.903   2.474  -3.052
  213   1HG2  VAL  29          1HG2      VAL  29 -16.152   0.414  -5.781
  214   2HG2  VAL  29          2HG2      VAL  29 -15.796   2.010  -5.132
  215   3HG2  VAL  29          3HG2      VAL  29 -16.891   1.843  -6.498
  216    H    ASN  30           H        ASN  30 -18.421  -0.970  -1.507
  217    HA   ASN  30           HA       ASN  30 -21.196  -1.287  -2.212
  218   1HB   ASN  30          1HB       ASN  30 -19.752  -2.552  -0.355
  219   2HB   ASN  30          1HB       ASN  30 -20.415  -1.270   0.652
  220   1HD2  ASN  30          1HD2      ASN  30 -22.415  -1.453   1.409
  221   2HD2  ASN  30          2HD2      ASN  30 -23.555  -2.656   0.926
  222    H    GLN  31           H        GLN  31 -22.878  -0.267  -1.156
  223    HA   GLN  31           HA       GLN  31 -22.496   2.613  -0.955
  224   1HB   GLN  31          1HB       GLN  31 -25.051   1.007  -0.762
  225   2HB   GLN  31          1HB       GLN  31 -24.945   2.758  -0.914
  226   1HG   GLN  31          1HG       GLN  31 -23.821   0.910  -2.980
  227   2HG   GLN  31          1HG       GLN  31 -25.510   1.412  -2.994
  228   1HE2  GLN  31          1HE2      GLN  31 -22.205   2.447  -3.355
  229   2HE2  GLN  31          2HE2      GLN  31 -22.548   3.971  -4.093
  230    H    THR  32           H        THR  32 -22.324   0.060   1.102
  231    HA   THR  32           HA       THR  32 -22.903   1.752   3.409
  232    HB   THR  32           HB       THR  32 -24.363  -0.581   2.375
  233    HG1  THR  32          1HG       THR  32 -25.013   1.742   3.010
  234   1HG2  THR  32          1HG2      THR  32 -24.283  -0.412   5.362
  235   2HG2  THR  32          2HG2      THR  32 -23.262  -1.536   4.463
  236   3HG2  THR  32          3HG2      THR  32 -25.012  -1.639   4.327
  237    H    THR  33           H        THR  33 -20.409   0.792   2.231
  238    HA   THR  33           HA       THR  33 -19.498  -1.162   4.198
  239    HB   THR  33           HB       THR  33 -18.339  -1.802   2.363
  240    HG1  THR  33          1HG       THR  33 -16.394  -0.638   2.091
  241   1HG2  THR  33          1HG2      THR  33 -17.843   0.661   0.908
  242   2HG2  THR  33          2HG2      THR  33 -19.551   0.292   1.053
  243   3HG2  THR  33          3HG2      THR  33 -18.463  -0.875   0.317
  244    H    LEU  34           H        LEU  34 -18.705   1.949   2.704
  245    HA   LEU  34           HA       LEU  34 -17.899   3.840   3.838
  246   1HB   LEU  34          1HB       LEU  34 -17.724   1.953   6.074
  247   2HB   LEU  34          1HB       LEU  34 -16.422   3.087   5.966
  248    HG   LEU  34           HG       LEU  34 -19.342   3.782   6.088
  249   1HD1  LEU  34          1HD1      LEU  34 -17.615   2.959   8.124
  250   2HD1  LEU  34          2HD1      LEU  34 -19.178   3.755   8.313
  251   3HD1  LEU  34          3HD1      LEU  34 -17.699   4.715   8.267
  252   1HD2  LEU  34          1HD2      LEU  34 -18.771   5.969   5.807
  253   2HD2  LEU  34          2HD2      LEU  34 -17.441   5.247   4.888
  254   3HD2  LEU  34          3HD2      LEU  34 -17.190   5.762   6.561
  255    H    TYR  35           H        TYR  35 -16.624   0.901   3.006
  256    HA   TYR  35           HA       TYR  35 -14.175   2.126   2.062
  257   1HB   TYR  35          1HB       TYR  35 -12.975  -0.108   2.694
  258   2HB   TYR  35          1HB       TYR  35 -13.079   1.244   3.791
  259    HD1  TYR  35          1HD       TYR  35 -14.641  -2.001   3.004
  260    HD2  TYR  35          2HD       TYR  35 -13.961   1.069   5.841
  261    HE1  TYR  35          1HE       TYR  35 -15.625  -3.419   4.768
  262    HE2  TYR  35          2HE       TYR  35 -14.924  -0.298   7.600
  263    HH   TYR  35           HH       TYR  35 -16.794  -2.943   7.063
  264    H    GLN  36           H        GLN  36 -12.906   0.601   0.646
  265    HA   GLN  36           HA       GLN  36 -14.788  -0.948  -0.990
  266   1HB   GLN  36          1HB       GLN  36 -12.763   1.101  -1.866
  267   2HB   GLN  36          1HB       GLN  36 -13.648   0.050  -2.973
  268   1HG   GLN  36          1HG       GLN  36 -15.646   1.119  -2.560
  269   2HG   GLN  36          1HG       GLN  36 -15.094   1.761  -1.021
  270   1HE2  GLN  36          1HE2      GLN  36 -14.013   1.898  -4.401
  271   2HE2  GLN  36          2HE2      GLN  36 -13.820   3.614  -4.444
  272    H    ARG  37           H        ARG  37 -13.456  -2.329  -2.675
  273    HA   ARG  37           HA       ARG  37 -10.980  -3.232  -1.374
  274   1HB   ARG  37          1HB       ARG  37 -13.462  -4.714  -1.694
  275   2HB   ARG  37          1HB       ARG  37 -12.047  -5.591  -2.241
  276   1HG   ARG  37          1HG       ARG  37 -11.067  -4.870   0.036
  277   2HG   ARG  37          1HG       ARG  37 -12.759  -4.605   0.465
  278   1HD   ARG  37          1HD       ARG  37 -12.417  -7.121  -0.892
  279   2HD   ARG  37          1HD       ARG  37 -11.366  -7.021   0.511
  280    HE   ARG  37           HE       ARG  37 -14.009  -6.181   1.137
  281   1HH1  ARG  37          1HH1      ARG  37 -12.044  -9.014   0.617
  282   2HH1  ARG  37          2HH1      ARG  37 -13.059 -10.048   1.566
  283   1HH2  ARG  37          1HH2      ARG  37 -15.352  -7.541   2.383
  284   2HH2  ARG  37          2HH2      ARG  37 -14.937  -9.213   2.568
  285    H    TYR  38           H        TYR  38  -9.566  -2.680  -2.820
  286    HA   TYR  38           HA       TYR  38  -9.883  -3.350  -5.653
  287   1HB   TYR  38          1HB       TYR  38  -7.483  -2.135  -4.257
  288   2HB   TYR  38          1HB       TYR  38  -7.665  -2.326  -5.986
  289    HD1  TYR  38          1HD       TYR  38  -8.110  -0.394  -7.136
  290    HD2  TYR  38          2HD       TYR  38  -9.611  -0.771  -3.172
  291    HE1  TYR  38          1HE       TYR  38  -9.030   1.869  -7.282
  292    HE2  TYR  38          2HE       TYR  38 -10.535   1.502  -3.310
  293    HH   TYR  38           HH       TYR  38 -11.001   3.138  -6.094
  294    H    GLU  39           H        GLU  39  -8.501  -4.814  -6.746
  295    HA   GLU  39           HA       GLU  39  -7.229  -6.823  -5.020
  296   1HB   GLU  39          1HB       GLU  39  -8.925  -7.787  -6.414
  297   2HB   GLU  39          1HB       GLU  39  -8.348  -6.918  -7.822
  298   1HG   GLU  39          1HG       GLU  39  -7.651  -9.110  -8.158
  299   2HG   GLU  39          1HG       GLU  39  -6.214  -8.270  -7.582
  300    H    ILE  40           H        ILE  40  -5.002  -7.283  -5.293
  301    HA   ILE  40           HA       ILE  40  -3.701  -5.719  -7.426
  302    HB   ILE  40           HB       ILE  40  -1.845  -5.399  -5.623
  303   1HG1  ILE  40          1HG1      ILE  40  -4.156  -5.225  -3.755
  304   2HG1  ILE  40          1HG1      ILE  40  -3.385  -6.787  -4.016
  305   1HG2  ILE  40          1HG2      ILE  40  -3.934  -3.824  -6.642
  306   2HG2  ILE  40          2HG2      ILE  40  -2.421  -3.275  -5.921
  307   3HG2  ILE  40          3HG2      ILE  40  -3.854  -3.482  -4.915
  308   1HD1  ILE  40          1HD1      ILE  40  -1.223  -5.776  -3.390
  309   2HD1  ILE  40          2HD1      ILE  40  -2.421  -5.727  -2.098
  310   3HD1  ILE  40          3HD1      ILE  40  -2.069  -4.272  -3.026
  311    H    LYS  41           H        LYS  41  -2.137  -6.595  -8.493
  312    HA   LYS  41           HA       LYS  41  -1.400  -9.279  -8.074
  313   1HB   LYS  41          1HB       LYS  41  -1.072  -7.363 -10.137
  314   2HB   LYS  41          1HB       LYS  41   0.519  -7.998  -9.753
  315   1HG   LYS  41          1HG       LYS  41  -1.865  -9.726 -10.366
  316   2HG   LYS  41          1HG       LYS  41  -0.670  -9.219 -11.563
  317   1HD   LYS  41          1HD       LYS  41   0.716 -10.842 -10.934
  318   2HD   LYS  41          1HD       LYS  41   0.662 -10.291  -9.259
  319   1HE   LYS  41          1HE       LYS  41  -1.615 -11.876 -10.359
  320   2HE   LYS  41          1HE       LYS  41  -0.129 -12.705  -9.900
  321   1HZ   LYS  41          1HZ       LYS  41  -0.371 -11.529  -7.695
  322   2HZ   LYS  41          2HZ       LYS  41  -1.499 -12.748  -8.014
  323   3HZ   LYS  41          3HZ       LYS  41  -1.944 -11.126  -8.175
  324    H    MET  42           H        MET  42  -0.638  -9.247  -5.956
  325    HA   MET  42           HA       MET  42   1.346  -7.602  -4.914
  326   1HB   MET  42          1HB       MET  42  -0.327  -9.349  -3.847
  327   2HB   MET  42          1HB       MET  42   1.061 -10.421  -3.970
  328   1HG   MET  42          1HG       MET  42   1.160  -7.747  -2.620
  329   2HG   MET  42          1HG       MET  42   0.763  -9.243  -1.777
  330   1HE   MET  42          1HE       MET  42   2.943  -6.792  -2.508
  331   2HE   MET  42          2HE       MET  42   4.599  -7.359  -2.431
  332   3HE   MET  42          3HE       MET  42   3.613  -7.337  -0.973
  333    H    THR  43           H        THR  43   3.460  -7.475  -5.299
  334    HA   THR  43           HA       THR  43   4.670  -9.597  -6.848
  335    HB   THR  43           HB       THR  43   6.668  -7.959  -6.891
  336    HG1  THR  43          1HG       THR  43   5.530  -6.687  -5.166
  337   1HG2  THR  43          1HG2      THR  43   4.584  -8.299  -8.585
  338   2HG2  THR  43          2HG2      THR  43   5.949  -7.220  -8.872
  339   3HG2  THR  43          3HG2      THR  43   4.446  -6.583  -8.204
  340    H    LYS  44           H        LYS  44   5.690  -7.748  -3.923
  341    HA   LYS  44           HA       LYS  44   6.559 -10.151  -2.604
  342   1HB   LYS  44          1HB       LYS  44   8.461  -8.451  -4.005
  343   2HB   LYS  44          1HB       LYS  44   8.813  -8.525  -2.284
  344   1HG   LYS  44          1HG       LYS  44   8.484 -11.111  -2.679
  345   2HG   LYS  44          1HG       LYS  44   8.903 -10.668  -4.335
  346   1HD   LYS  44          1HD       LYS  44  10.591  -9.633  -2.108
  347   2HD   LYS  44          1HD       LYS  44  10.762 -11.324  -2.583
  348   1HE   LYS  44          1HE       LYS  44  10.682  -9.616  -4.895
  349   2HE   LYS  44          1HE       LYS  44  11.944  -9.089  -3.782
  350   1HZ   LYS  44          1HZ       LYS  44  12.829 -10.688  -5.311
  351   2HZ   LYS  44          2HZ       LYS  44  11.617 -11.805  -4.935
  352   3HZ   LYS  44          3HZ       LYS  44  12.775 -11.390  -3.774
  353    H    MET  45           H        MET  45   6.587  -9.860  -0.356
  354    HA   MET  45           HA       MET  45   5.385  -7.383   0.598
  355   1HB   MET  45          1HB       MET  45   5.410 -10.128   1.408
  356   2HB   MET  45          1HB       MET  45   5.985  -9.152   2.745
  357   1HG   MET  45          1HG       MET  45   3.748  -9.204   3.157
  358   2HG   MET  45          1HG       MET  45   3.884  -7.717   2.234
  359   1HE   MET  45          1HE       MET  45   4.046 -11.280   0.149
  360   2HE   MET  45          2HE       MET  45   2.503 -11.768   0.837
  361   3HE   MET  45          3HE       MET  45   3.846 -11.360   1.898
  362    H    TYR  46           H        TYR  46   6.342  -5.923   1.976
  363    HA   TYR  46           HA       TYR  46   9.178  -6.310   2.517
  364   1HB   TYR  46          1HB       TYR  46   7.497  -3.863   2.110
  365   2HB   TYR  46          1HB       TYR  46   9.069  -3.767   2.857
  366    HD1  TYR  46          1HD       TYR  46   7.617  -5.540  -0.078
  367    HD2  TYR  46          2HD       TYR  46  10.740  -3.071   1.398
  368    HE1  TYR  46          1HE       TYR  46   8.654  -5.528  -2.299
  369    HE2  TYR  46          2HE       TYR  46  11.786  -3.048  -0.818
  370    HH   TYR  46           HH       TYR  46  11.546  -3.629  -2.981
  371    H    LYS  47           H        LYS  47   6.100  -5.258   4.027
  372    HA   LYS  47           HA       LYS  47   7.187  -6.180   6.589
  373   1HB   LYS  47          1HB       LYS  47   6.631  -3.486   5.937
  374   2HB   LYS  47          1HB       LYS  47   5.315  -4.024   6.969
  375   1HG   LYS  47          1HG       LYS  47   6.660  -4.319   8.782
  376   2HG   LYS  47          1HG       LYS  47   8.093  -4.646   7.803
  377   1HD   LYS  47          1HD       LYS  47   8.695  -2.548   8.307
  378   2HD   LYS  47          1HD       LYS  47   7.487  -2.065   7.116
  379   1HE   LYS  47          1HE       LYS  47   6.669  -0.854   8.833
  380   2HE   LYS  47          1HE       LYS  47   5.916  -2.386   9.278
  381   1HZ   LYS  47          1HZ       LYS  47   8.279  -2.636  10.468
  382   2HZ   LYS  47          2HZ       LYS  47   6.925  -1.964  11.228
  383   3HZ   LYS  47          3HZ       LYS  47   8.099  -0.955  10.548
  384    H    GLY  48           H        GLY  48   5.849  -7.600   7.510
  385   1HA   GLY  48          2HA       GLY  48   3.187  -7.631   7.951
  386   2HA   GLY  48          1HA       GLY  48   3.299  -8.192   6.285
  387    H    PHE  49           H        PHE  49   6.110  -9.248   7.596
  388    HA   PHE  49           HA       PHE  49   5.152 -11.908   7.905
  389   1HB   PHE  49          1HB       PHE  49   7.881 -10.925   8.672
  390   2HB   PHE  49          1HB       PHE  49   7.424 -12.550   8.192
  391    HD1  PHE  49          1HD       PHE  49   7.984  -9.110   6.980
  392    HD2  PHE  49          2HD       PHE  49   7.389 -13.188   5.923
  393    HE1  PHE  49          1HE       PHE  49   8.640  -8.601   4.665
  394    HE2  PHE  49          2HE       PHE  49   8.044 -12.688   3.607
  395    HZ   PHE  49           HZ       PHE  49   8.672 -10.391   2.974
  396    H    GLN  50           H        GLN  50   4.622  -9.459   9.729
  397    HA   GLN  50           HA       GLN  50   5.211 -10.765  12.280
  398   1HB   GLN  50          1HB       GLN  50   4.431  -8.699  13.379
  399   2HB   GLN  50          1HB       GLN  50   5.760  -8.369  12.284
  400   1HG   GLN  50          1HG       GLN  50   4.366  -7.287  10.743
  401   2HG   GLN  50          1HG       GLN  50   2.908  -7.953  11.466
  402   1HE2  GLN  50          1HE2      GLN  50   5.560  -5.714  12.032
  403   2HE2  GLN  50          2HE2      GLN  50   4.691  -4.688  13.117
  404    H    ALA  51           H        ALA  51   2.612  -9.260  10.382
  405    HA   ALA  51           HA       ALA  51   0.449 -10.253  11.811
  406   1HB   ALA  51          1HB       ALA  51   0.352  -8.513  10.037
  407   2HB   ALA  51          2HB       ALA  51  -0.880  -9.764   9.878
  408   3HB   ALA  51          3HB       ALA  51   0.544  -9.792   8.840
  409    H    LEU  52           H        LEU  52   2.328 -11.649   9.153
  410    HA   LEU  52           HA       LEU  52   1.531 -14.318   9.962
  411   1HB   LEU  52          1HB       LEU  52   1.052 -14.898   7.503
  412   2HB   LEU  52          1HB       LEU  52  -0.199 -14.098   8.432
  413    HG   LEU  52           HG       LEU  52   1.128 -11.979   7.276
  414   1HD1  LEU  52          1HD1      LEU  52   0.712 -13.373   4.821
  415   2HD1  LEU  52          2HD1      LEU  52   1.873 -14.261   5.802
  416   3HD1  LEU  52          3HD1      LEU  52   2.170 -12.570   5.409
  417   1HD2  LEU  52          1HD2      LEU  52  -1.020 -12.910   5.591
  418   2HD2  LEU  52          2HD2      LEU  52  -0.962 -11.515   6.669
  419   3HD2  LEU  52          3HD2      LEU  52  -1.428 -13.096   7.296
  420    H    GLY  53           H        GLY  53   3.011 -12.937   7.030
  421   1HA   GLY  53          2HA       GLY  53   5.197 -12.945   6.344
  422   2HA   GLY  53          1HA       GLY  53   5.635 -13.704   7.859
  423    H    ASP  54           H        ASP  54   3.378 -14.810   5.444
  424    HA   ASP  54           HA       ASP  54   4.853 -17.299   5.145
  425   1HB   ASP  54          1HB       ASP  54   2.110 -16.667   5.375
  426   2HB   ASP  54          1HB       ASP  54   2.352 -17.285   3.746
  427    H    ALA  55           H        ALA  55   2.732 -15.738   2.873
  428    HA   ALA  55           HA       ALA  55   4.921 -15.208   1.041
  429   1HB   ALA  55          1HB       ALA  55   4.365 -16.692  -0.566
  430   2HB   ALA  55          2HB       ALA  55   2.645 -16.626  -0.176
  431   3HB   ALA  55          3HB       ALA  55   3.737 -17.604   0.807
  432    H    ALA  56           H        ALA  56   1.471 -15.261   1.664
  433    HA   ALA  56           HA       ALA  56   1.235 -12.686   0.223
  434   1HB   ALA  56          1HB       ALA  56   0.076 -14.219  -1.100
  435   2HB   ALA  56          2HB       ALA  56  -1.143 -13.303  -0.211
  436   3HB   ALA  56          3HB       ALA  56  -0.727 -14.943   0.294
  437    H    ASP  57           H        ASP  57   1.562 -11.497   2.089
  438    HA   ASP  57           HA       ASP  57  -0.405 -11.668   4.208
  439   1HB   ASP  57          1HB       ASP  57   1.984 -11.059   4.686
  440   2HB   ASP  57          1HB       ASP  57   1.752  -9.594   3.746
  441    H    ILE  58           H        ILE  58   0.264  -9.968   1.266
  442    HA   ILE  58           HA       ILE  58  -2.064  -8.220   1.715
  443    HB   ILE  58           HB       ILE  58   0.032  -7.547  -0.313
  444   1HG1  ILE  58          1HG1      ILE  58   1.517  -7.603   1.456
  445   2HG1  ILE  58          1HG1      ILE  58   0.922  -5.958   1.581
  446   1HG2  ILE  58          1HG2      ILE  58  -1.936  -5.974   1.327
  447   2HG2  ILE  58          2HG2      ILE  58  -1.999  -6.307  -0.400
  448   3HG2  ILE  58          3HG2      ILE  58  -0.747  -5.246   0.247
  449   1HD1  ILE  58          1HD1      ILE  58   0.203  -8.324   3.268
  450   2HD1  ILE  58          2HD1      ILE  58  -0.675  -6.797   3.322
  451   3HD1  ILE  58          3HD1      ILE  58   1.032  -6.853   3.759
  452    H    ARG  59           H        ARG  59  -3.602  -8.167   0.183
  453    HA   ARG  59           HA       ARG  59  -3.091  -9.309  -2.406
  454   1HB   ARG  59          1HB       ARG  59  -4.934 -10.749  -0.517
  455   2HB   ARG  59          1HB       ARG  59  -5.064 -10.923  -2.263
  456   1HG   ARG  59          1HG       ARG  59  -2.363 -11.296  -1.729
  457   2HG   ARG  59          1HG       ARG  59  -3.196 -12.139  -0.425
  458   1HD   ARG  59          1HD       ARG  59  -3.279 -13.820  -1.909
  459   2HD   ARG  59          1HD       ARG  59  -4.657 -12.931  -2.546
  460    HE   ARG  59           HE       ARG  59  -3.291 -12.123  -4.306
  461   1HH1  ARG  59          1HH1      ARG  59  -1.634 -14.428  -2.259
  462   2HH1  ARG  59          2HH1      ARG  59  -0.415 -14.775  -3.436
  463   1HH2  ARG  59          1HH2      ARG  59  -1.683 -12.586  -5.844
  464   2HH2  ARG  59          2HH2      ARG  59  -0.440 -13.733  -5.466
  465    H    PHE  60           H        PHE  60  -5.345  -7.786  -0.281
  466    HA   PHE  60           HA       PHE  60  -6.489  -6.277  -2.456
  467   1HB   PHE  60          1HB       PHE  60  -8.101  -7.719  -0.327
  468   2HB   PHE  60          1HB       PHE  60  -8.751  -6.608  -1.525
  469    HD1  PHE  60          1HD       PHE  60  -9.444  -7.379  -3.613
  470    HD2  PHE  60          2HD       PHE  60  -7.073  -9.893  -1.129
  471    HE1  PHE  60          1HE       PHE  60  -9.877  -9.273  -5.122
  472    HE2  PHE  60          2HE       PHE  60  -7.499 -11.791  -2.638
  473    HZ   PHE  60           HZ       PHE  60  -8.905 -11.482  -4.636
  474    H    VAL  61           H        VAL  61  -7.107  -4.364  -1.899
  475    HA   VAL  61           HA       VAL  61  -6.147  -3.436   0.701
  476    HB   VAL  61           HB       VAL  61  -5.367  -1.548  -0.359
  477   1HG1  VAL  61          1HG1      VAL  61  -4.130  -3.570  -0.988
  478   2HG1  VAL  61          2HG1      VAL  61  -3.996  -2.271  -2.172
  479   3HG1  VAL  61          3HG1      VAL  61  -5.074  -3.633  -2.476
  480   1HG2  VAL  61          1HG2      VAL  61  -7.435  -2.110  -2.397
  481   2HG2  VAL  61          2HG2      VAL  61  -5.998  -1.220  -2.900
  482   3HG2  VAL  61          3HG2      VAL  61  -7.027  -0.584  -1.619
  483    H    TYR  62           H        TYR  62  -7.627  -2.733   2.083
  484    HA   TYR  62           HA       TYR  62 -10.237  -1.964   1.080
  485   1HB   TYR  62          1HB       TYR  62  -9.398  -2.502   3.927
  486   2HB   TYR  62          1HB       TYR  62 -11.041  -2.279   3.349
  487    HD1  TYR  62          1HD       TYR  62  -8.260  -4.394   1.951
  488    HD2  TYR  62          2HD       TYR  62 -12.135  -4.276   3.720
  489    HE1  TYR  62          1HE       TYR  62  -8.469  -6.801   1.628
  490    HE2  TYR  62          2HE       TYR  62 -12.353  -6.701   3.391
  491    HH   TYR  62           HH       TYR  62  -9.705  -8.627   2.031
  492    H    THR  63           H        THR  63 -10.337   0.046   0.561
  493    HA   THR  63           HA       THR  63  -9.278   2.183   2.291
  494    HB   THR  63           HB       THR  63  -8.546   3.011   0.293
  495    HG1  THR  63          1HG       THR  63 -10.795   4.038   0.604
  496   1HG2  THR  63          1HG2      THR  63  -9.278   0.665  -0.701
  497   2HG2  THR  63          2HG2      THR  63  -8.821   2.013  -1.734
  498   3HG2  THR  63          3HG2      THR  63 -10.526   1.666  -1.444
  499    HA   PRO  64           HA       PRO  64 -13.420   3.109   3.689
  500   1HB   PRO  64          1HB       PRO  64 -12.426   5.919   3.677
  501   2HB   PRO  64          1HB       PRO  64 -13.215   5.009   4.968
  502   1HG   PRO  64          1HG       PRO  64 -10.577   5.509   5.005
  503   2HG   PRO  64          1HG       PRO  64 -11.251   3.994   5.633
  504   1HD   PRO  64          1HD       PRO  64  -9.771   4.506   3.111
  505   2HD   PRO  64          1HD       PRO  64  -9.818   3.047   4.114
  506    H    ALA  65           H        ALA  65 -15.148   3.463   2.476
  507    HA   ALA  65           HA       ALA  65 -14.999   4.650  -0.101
  508   1HB   ALA  65          1HB       ALA  65 -16.026   2.564  -0.163
  509   2HB   ALA  65          2HB       ALA  65 -17.371   3.697  -0.246
  510   3HB   ALA  65          3HB       ALA  65 -16.978   2.898   1.276
  511    H    MET  66           H        MET  66 -14.979   6.919   0.466
  512    HA   MET  66           HA       MET  66 -17.670   7.902   0.997
  513   1HB   MET  66          1HB       MET  66 -15.538   8.048   2.918
  514   2HB   MET  66          1HB       MET  66 -15.993   9.670   2.411
  515   1HG   MET  66          1HG       MET  66 -17.981   7.624   3.347
  516   2HG   MET  66          1HG       MET  66 -17.178   8.762   4.427
  517   1HE   MET  66          1HE       MET  66 -18.069  12.123   2.934
  518   2HE   MET  66          2HE       MET  66 -16.926  11.126   3.835
  519   3HE   MET  66          3HE       MET  66 -18.447  11.619   4.582
  520    H    GLU  67           H        GLU  67 -17.736  10.352   0.671
  521    HA   GLU  67           HA       GLU  67 -16.802  10.920  -1.924
  522   1HB   GLU  67          1HB       GLU  67 -18.046  12.626   0.224
  523   2HB   GLU  67          1HB       GLU  67 -17.614  13.272  -1.354
  524   1HG   GLU  67          1HG       GLU  67 -19.573  12.601  -2.124
  525   2HG   GLU  67          1HG       GLU  67 -19.085  10.931  -1.839
  526    H    SER  68           H        SER  68 -16.018  12.684   1.083
  527    HA   SER  68           HA       SER  68 -13.436  13.428  -0.118
  528   1HB   SER  68          1HB       SER  68 -14.722  14.682   2.310
  529   2HB   SER  68          1HB       SER  68 -13.414  15.332   1.322
  530    HG   SER  68           HG       SER  68 -16.142  15.360   0.898
  531    H    VAL  69           H        VAL  69 -13.576  10.870   0.830
  532    HA   VAL  69           HA       VAL  69 -12.392  10.888   3.504
  533    HB   VAL  69           HB       VAL  69 -14.220   9.285   2.768
  534   1HG1  VAL  69          1HG1      VAL  69 -11.928   8.094   1.289
  535   2HG1  VAL  69          2HG1      VAL  69 -13.556   8.448   0.713
  536   3HG1  VAL  69          3HG1      VAL  69 -13.287   7.122   1.839
  537   1HG2  VAL  69          1HG2      VAL  69 -13.635   7.789   4.396
  538   2HG2  VAL  69          2HG2      VAL  69 -12.572   9.143   4.782
  539   3HG2  VAL  69          3HG2      VAL  69 -11.946   7.756   3.889
  540    H    CYS  70           H        CYS  70 -10.694   9.243   3.854
  541    HA   CYS  70           HA       CYS  70  -8.643   9.467   1.788
  542   1HB   CYS  70          1HB       CYS  70  -7.229   8.495   3.808
  543   2HB   CYS  70          1HB       CYS  70  -7.561  10.215   3.706
  544    H    GLY  71           H        GLY  71  -9.637   8.039   0.584
  545   1HA   GLY  71          2HA       GLY  71  -9.722   5.270   1.501
  546   2HA   GLY  71          1HA       GLY  71 -10.494   5.886   0.044
  547    H    TYR  72           H        TYR  72  -9.472   5.692  -1.782
  548    HA   TYR  72           HA       TYR  72  -6.672   5.875  -2.056
  549   1HB   TYR  72          1HB       TYR  72  -6.979   3.570  -1.059
  550   2HB   TYR  72          1HB       TYR  72  -7.700   3.119  -2.600
  551    HD1  TYR  72          1HD       TYR  72  -4.609   4.417  -1.040
  552    HD2  TYR  72          2HD       TYR  72  -6.370   2.614  -4.464
  553    HE1  TYR  72          1HE       TYR  72  -2.374   4.032  -1.973
  554    HE2  TYR  72          2HE       TYR  72  -4.140   2.220  -5.413
  555    HH   TYR  72           HH       TYR  72  -1.742   3.447  -5.046
  556    H    PHE  73           H        PHE  73  -7.563   7.415  -3.618
  557    HA   PHE  73           HA       PHE  73  -8.986   6.484  -5.851
  558   1HB   PHE  73          1HB       PHE  73  -7.554   8.962  -5.087
  559   2HB   PHE  73          1HB       PHE  73  -7.766   8.694  -6.812
  560    HD1  PHE  73          1HD       PHE  73  -9.677   8.851  -3.611
  561    HD2  PHE  73          2HD       PHE  73  -9.752   9.280  -7.835
  562    HE1  PHE  73          1HE       PHE  73 -11.965   9.758  -3.482
  563    HE2  PHE  73          2HE       PHE  73 -12.027  10.175  -7.724
  564    HZ   PHE  73           HZ       PHE  73 -13.143  10.421  -5.542
  565    H    HIS  74           H        HIS  74  -8.186   4.838  -6.928
  566    HA   HIS  74           HA       HIS  74  -5.364   4.886  -7.702
  567   1HB   HIS  74          1HB       HIS  74  -5.736   2.869  -6.682
  568   2HB   HIS  74          1HB       HIS  74  -7.370   2.727  -7.296
  569    HD1  HIS  74          1HD       HIS  74  -7.567   0.902  -8.974
  570    HD2  HIS  74          2HD       HIS  74  -3.783   2.619  -9.007
  571    HE1  HIS  74          1HE       HIS  74  -6.265  -0.373 -10.708
  572    HE2  HIS  74          2HE       HIS  74  -3.972   0.661 -10.688
  573    H    ARG  75           H        ARG  75  -4.966   5.856  -9.480
  574    HA   ARG  75           HA       ARG  75  -6.655   5.360 -11.847
  575   1HB   ARG  75          1HB       ARG  75  -5.176   7.829 -10.950
  576   2HB   ARG  75          1HB       ARG  75  -5.678   7.609 -12.620
  577   1HG   ARG  75          1HG       ARG  75  -7.310   8.942 -11.534
  578   2HG   ARG  75          1HG       ARG  75  -8.016   7.348 -11.803
  579   1HD   ARG  75          1HD       ARG  75  -7.383   6.779  -9.454
  580   2HD   ARG  75          1HD       ARG  75  -6.922   8.460  -9.230
  581    HE   ARG  75           HE       ARG  75  -9.145   9.045  -9.211
  582   1HH1  ARG  75          1HH1      ARG  75  -8.827   5.706 -10.175
  583   2HH1  ARG  75          2HH1      ARG  75 -10.511   5.360  -9.982
  584   1HH2  ARG  75          1HH2      ARG  75 -11.359   8.588  -8.944
  585   2HH2  ARG  75          2HH2      ARG  75 -11.951   6.998  -9.288
  586    H    SER  76           H        SER  76  -4.775   3.501 -11.421
  587    HA   SER  76           HA       SER  76  -2.450   4.325 -13.004
  588   1HB   SER  76          1HB       SER  76  -2.779   1.873 -11.264
  589   2HB   SER  76          1HB       SER  76  -1.300   2.368 -12.082
  590    HG   SER  76           HG       SER  76  -2.668   3.855 -10.088
  591    H    HIS  77           H        HIS  77  -2.536   3.871 -15.085
  592    HA   HIS  77           HA       HIS  77  -4.359   2.080 -16.310
  593   1HB   HIS  77          1HB       HIS  77  -2.496   4.051 -17.117
  594   2HB   HIS  77          1HB       HIS  77  -2.028   2.571 -17.943
  595    HD1  HIS  77          1HD       HIS  77  -3.618   5.372 -18.871
  596    HD2  HIS  77          2HD       HIS  77  -4.937   1.434 -18.802
  597    HE1  HIS  77          1HE       HIS  77  -5.484   5.261 -20.550
  598    HE2  HIS  77          2HE       HIS  77  -6.173   2.838 -20.588
  599    H    ASN  78           H        ASN  78  -0.887   1.992 -15.970
  600    HA   ASN  78           HA       ASN  78  -0.510  -0.624 -16.932
  601   1HB   ASN  78          1HB       ASN  78   1.157   1.415 -16.457
  602   2HB   ASN  78          1HB       ASN  78   1.475   0.467 -15.008
  603   1HD2  ASN  78          1HD2      ASN  78   1.365  -2.068 -15.862
  604   2HD2  ASN  78          2HD2      ASN  78   2.581  -2.376 -17.043
  605    H    ARG  79           H        ARG  79  -1.375  -2.394 -16.007
  606    HA   ARG  79           HA       ARG  79  -1.651  -2.601 -13.137
  607   1HB   ARG  79          1HB       ARG  79  -2.486  -4.349 -15.449
  608   2HB   ARG  79          1HB       ARG  79  -2.672  -4.856 -13.775
  609   1HG   ARG  79          1HG       ARG  79  -4.508  -3.633 -13.514
  610   2HG   ARG  79          1HG       ARG  79  -3.745  -2.204 -14.209
  611   1HD   ARG  79          1HD       ARG  79  -4.112  -3.472 -16.465
  612   2HD   ARG  79          1HD       ARG  79  -5.324  -4.358 -15.545
  613    HE   ARG  79           HE       ARG  79  -6.394  -2.193 -15.097
  614   1HH1  ARG  79          1HH1      ARG  79  -4.166  -2.380 -17.791
  615   2HH1  ARG  79          2HH1      ARG  79  -4.871  -1.034 -18.616
  616   1HH2  ARG  79          1HH2      ARG  79  -7.306  -0.426 -16.190
  617   2HH2  ARG  79          2HH2      ARG  79  -6.648   0.073 -17.712
  618    H    SER  80           H        SER  80   0.618  -3.451 -15.499
  619    HA   SER  80           HA       SER  80   1.809  -5.544 -13.846
  620   1HB   SER  80          1HB       SER  80   2.966  -4.796 -16.486
  621   2HB   SER  80          1HB       SER  80   2.838  -6.382 -15.723
  622    HG   SER  80           HG       SER  80   0.853  -6.611 -16.492
  623    H    GLU  81           H        GLU  81   2.034  -2.258 -14.273
  624    HA   GLU  81           HA       GLU  81   4.897  -2.020 -13.903
  625   1HB   GLU  81          1HB       GLU  81   3.388  -0.178 -14.841
  626   2HB   GLU  81          1HB       GLU  81   2.832   0.075 -13.193
  627   1HG   GLU  81          1HG       GLU  81   5.491   0.182 -12.816
  628   2HG   GLU  81          1HG       GLU  81   5.385   0.787 -14.468
  629    H    GLU  82           H        GLU  82   5.945  -2.343 -11.876
  630    HA   GLU  82           HA       GLU  82   4.354  -3.220  -9.694
  631   1HB   GLU  82          1HB       GLU  82   7.315  -2.704  -9.935
  632   2HB   GLU  82          1HB       GLU  82   6.549  -3.401  -8.515
  633   1HG   GLU  82          1HG       GLU  82   6.165  -5.399  -9.525
  634   2HG   GLU  82          1HG       GLU  82   6.040  -4.690 -11.136
  635    H    PHE  83           H        PHE  83   3.929  -2.320  -7.804
  636    HA   PHE  83           HA       PHE  83   4.585   0.519  -7.440
  637   1HB   PHE  83          1HB       PHE  83   2.063  -0.992  -6.962
  638   2HB   PHE  83          1HB       PHE  83   2.421   0.384  -5.936
  639    HD1  PHE  83          1HD       PHE  83   3.906   1.076  -9.005
  640    HD2  PHE  83          2HD       PHE  83   0.082   0.852  -7.155
  641    HE1  PHE  83          1HE       PHE  83   2.999   2.592 -10.705
  642    HE2  PHE  83          2HE       PHE  83  -0.832   2.370  -8.854
  643    HZ   PHE  83           HZ       PHE  83   0.627   3.242 -10.636
  644    H    LEU  84           H        LEU  84   4.078   1.205  -5.225
  645    HA   LEU  84           HA       LEU  84   5.421  -0.501  -3.197
  646   1HB   LEU  84          1HB       LEU  84   6.895   1.346  -4.003
  647   2HB   LEU  84          1HB       LEU  84   5.716   2.503  -3.434
  648    HG   LEU  84           HG       LEU  84   7.784   2.091  -1.994
  649   1HD1  LEU  84          1HD1      LEU  84   5.035   1.895  -0.783
  650   2HD1  LEU  84          2HD1      LEU  84   5.901   3.370  -1.207
  651   3HD1  LEU  84          3HD1      LEU  84   6.505   2.334   0.086
  652   1HD2  LEU  84          1HD2      LEU  84   7.692   0.253  -0.438
  653   2HD2  LEU  84          2HD2      LEU  84   7.725  -0.363  -2.092
  654   3HD2  LEU  84          3HD2      LEU  84   6.212  -0.339  -1.186
  655    H    ILE  85           H        ILE  85   4.278  -0.798  -1.349
  656    HA   ILE  85           HA       ILE  85   2.134   1.150  -0.808
  657    HB   ILE  85           HB       ILE  85   1.759  -1.846  -0.783
  658   1HG1  ILE  85          1HG1      ILE  85   0.361   0.182  -2.525
  659   2HG1  ILE  85          1HG1      ILE  85   1.868  -0.578  -3.019
  660   1HG2  ILE  85          1HG2      ILE  85  -0.729  -0.769  -0.617
  661   2HG2  ILE  85          2HG2      ILE  85   0.199   0.367   0.360
  662   3HG2  ILE  85          3HG2      ILE  85   0.201  -1.348   0.765
  663   1HD1  ILE  85          1HD1      ILE  85  -0.826  -1.589  -3.118
  664   2HD1  ILE  85          2HD1      ILE  85   0.247  -2.692  -2.260
  665   3HD1  ILE  85          3HD1      ILE  85   0.635  -2.187  -3.903
  666    H    ALA  86           H        ALA  86   2.392   1.973   0.981
  667    HA   ALA  86           HA       ALA  86   3.298   0.514   3.423
  668   1HB   ALA  86          1HB       ALA  86   4.280   2.397   4.218
  669   2HB   ALA  86          2HB       ALA  86   2.925   3.412   3.727
  670   3HB   ALA  86          3HB       ALA  86   4.182   2.992   2.562
  671    H    GLY  87           H        GLY  87   1.649  -0.177   4.563
  672   1HA   GLY  87          2HA       GLY  87  -0.631   1.425   5.237
  673   2HA   GLY  87          1HA       GLY  87  -1.039   0.124   4.131
  674    H    LYS  88           H        LYS  88  -1.789   0.611   6.980
  675    HA   LYS  88           HA       LYS  88  -0.567  -1.497   8.508
  676   1HB   LYS  88          1HB       LYS  88  -2.891   0.308   9.171
  677   2HB   LYS  88          1HB       LYS  88  -2.193  -0.847  10.280
  678   1HG   LYS  88          1HG       LYS  88  -0.063   0.390  10.142
  679   2HG   LYS  88          1HG       LYS  88  -0.857   1.587   9.124
  680   1HD   LYS  88          1HD       LYS  88  -2.318   1.063  11.580
  681   2HD   LYS  88          1HD       LYS  88  -0.667   1.606  11.886
  682   1HE   LYS  88          1HE       LYS  88  -1.635   3.251   9.838
  683   2HE   LYS  88          1HE       LYS  88  -2.955   3.112  10.998
  684   1HZ   LYS  88          1HZ       LYS  88  -1.685   4.927  11.707
  685   2HZ   LYS  88          2HZ       LYS  88  -0.215   4.128  11.464
  686   3HZ   LYS  88          3HZ       LYS  88  -1.226   3.667  12.740
  687    H    LEU  89           H        LEU  89  -2.329  -2.937   9.804
  688    HA   LEU  89           HA       LEU  89  -4.105  -4.065   7.734
  689   1HB   LEU  89          1HB       LEU  89  -2.265  -5.321   9.690
  690   2HB   LEU  89          1HB       LEU  89  -3.797  -6.131   9.429
  691    HG   LEU  89           HG       LEU  89  -1.714  -5.523   7.350
  692   1HD1  LEU  89          1HD1      LEU  89  -2.743  -8.200   8.245
  693   2HD1  LEU  89          2HD1      LEU  89  -1.334  -7.432   8.976
  694   3HD1  LEU  89          3HD1      LEU  89  -1.322  -7.852   7.262
  695   1HD2  LEU  89          1HD2      LEU  89  -3.355  -7.121   6.048
  696   2HD2  LEU  89          2HD2      LEU  89  -3.581  -5.374   6.064
  697   3HD2  LEU  89          3HD2      LEU  89  -4.535  -6.396   7.137
  698    H    GLN  90           H        GLN  90  -6.200  -3.867   8.174
  699    HA   GLN  90           HA       GLN  90  -7.047  -3.476  10.962
  700   1HB   GLN  90          1HB       GLN  90  -8.063  -2.548   8.376
  701   2HB   GLN  90          1HB       GLN  90  -9.311  -3.065   9.495
  702   1HG   GLN  90          1HG       GLN  90  -7.219  -1.288  10.578
  703   2HG   GLN  90          1HG       GLN  90  -8.334  -0.578   9.412
  704   1HE2  GLN  90          1HE2      GLN  90  -7.861  -0.519  12.473
  705   2HE2  GLN  90          2HE2      GLN  90  -9.463  -0.633  13.109
  706    H    ASP  91           H        ASP  91  -7.789  -5.110  12.023
  707    HA   ASP  91           HA       ASP  91  -8.401  -7.267  12.483
  708   1HB   ASP  91          1HB       ASP  91 -10.549  -5.856  11.014
  709   2HB   ASP  91          1HB       ASP  91 -10.788  -7.575  11.311
  710    H    GLY  92           H        GLY  92  -6.609  -7.319  10.179
  711   1HA   GLY  92          2HA       GLY  92  -6.018  -9.510   9.280
  712   2HA   GLY  92          1HA       GLY  92  -7.720  -9.782   8.986
  713    H    LEU  93           H        LEU  93  -7.568  -6.774   7.925
  714    HA   LEU  93           HA       LEU  93  -6.596  -7.571   5.257
  715   1HB   LEU  93          1HB       LEU  93  -8.905  -5.707   5.733
  716   2HB   LEU  93          1HB       LEU  93  -8.386  -6.406   4.219
  717    HG   LEU  93           HG       LEU  93 -10.350  -7.549   4.797
  718   1HD1  LEU  93          1HD1      LEU  93  -9.124  -9.272   4.017
  719   2HD1  LEU  93          2HD1      LEU  93  -9.354  -9.853   5.666
  720   3HD1  LEU  93          3HD1      LEU  93  -7.847  -9.059   5.214
  721   1HD2  LEU  93          1HD2      LEU  93 -10.465  -6.808   7.126
  722   2HD2  LEU  93          2HD2      LEU  93  -9.234  -7.994   7.556
  723   3HD2  LEU  93          3HD2      LEU  93 -10.800  -8.531   6.956
  724    H    LEU  94           H        LEU  94  -5.832  -5.916   3.864
  725    HA   LEU  94           HA       LEU  94  -4.312  -3.930   5.206
  726   1HB   LEU  94          1HB       LEU  94  -3.408  -5.002   3.245
  727   2HB   LEU  94          1HB       LEU  94  -4.780  -4.493   2.283
  728    HG   LEU  94           HG       LEU  94  -4.055  -2.189   2.351
  729   1HD1  LEU  94          1HD1      LEU  94  -2.769  -2.891   4.711
  730   2HD1  LEU  94          2HD1      LEU  94  -2.700  -1.332   3.889
  731   3HD1  LEU  94          3HD1      LEU  94  -1.465  -2.547   3.577
  732   1HD2  LEU  94          1HD2      LEU  94  -3.073  -3.516   0.608
  733   2HD2  LEU  94          2HD2      LEU  94  -1.821  -4.099   1.702
  734   3HD2  LEU  94          3HD2      LEU  94  -1.853  -2.404   1.227
  735    H    HIS  95           H        HIS  95  -4.387  -1.683   4.796
  736    HA   HIS  95           HA       HIS  95  -6.879  -0.622   3.763
  737   1HB   HIS  95          1HB       HIS  95  -5.954  -0.280   6.594
  738   2HB   HIS  95          1HB       HIS  95  -6.848   1.013   5.799
  739    HD1  HIS  95          1HD       HIS  95  -9.266   0.899   6.241
  740    HD2  HIS  95          2HD       HIS  95  -7.523  -2.871   6.240
  741    HE1  HIS  95          1HE       HIS  95 -11.133  -0.703   6.761
  742    HE2  HIS  95          2HE       HIS  95 -10.048  -2.977   6.791
  743    H    ILE  96           H        ILE  96  -6.643   1.392   2.850
  744    HA   ILE  96           HA       ILE  96  -3.977   2.608   3.108
  745    HB   ILE  96           HB       ILE  96  -3.879   3.044   0.684
  746   1HG1  ILE  96          1HG1      ILE  96  -6.374   2.700   0.367
  747   2HG1  ILE  96          1HG1      ILE  96  -5.327   2.004  -0.861
  748   1HG2  ILE  96          1HG2      ILE  96  -4.033   0.081   1.104
  749   2HG2  ILE  96          2HG2      ILE  96  -2.803   1.061   1.900
  750   3HG2  ILE  96          3HG2      ILE  96  -2.888   1.012   0.139
  751   1HD1  ILE  96          1HD1      ILE  96  -6.296   0.347   1.416
  752   2HD1  ILE  96          2HD1      ILE  96  -5.729  -0.138  -0.169
  753   3HD1  ILE  96          3HD1      ILE  96  -7.301   0.632  -0.002
  754    H    THR  97           H        THR  97  -3.835   4.782   2.617
  755    HA   THR  97           HA       THR  97  -6.348   6.209   2.190
  756    HB   THR  97           HB       THR  97  -5.603   7.767   4.093
  757    HG1  THR  97          1HG       THR  97  -3.578   7.142   4.552
  758   1HG2  THR  97          1HG2      THR  97  -7.438   6.043   4.294
  759   2HG2  THR  97          2HG2      THR  97  -6.667   6.538   5.795
  760   3HG2  THR  97          3HG2      THR  97  -6.245   4.997   5.049
  761    H    THR  98           H        THR  98  -6.125   8.170   1.173
  762    HA   THR  98           HA       THR  98  -3.881   8.578  -0.444
  763    HB   THR  98           HB       THR  98  -4.961  10.524  -1.227
  764    HG1  THR  98          1HG       THR  98  -5.325  11.690   0.562
  765   1HG2  THR  98          1HG2      THR  98  -6.486   9.116  -2.046
  766   2HG2  THR  98          2HG2      THR  98  -7.539   9.806  -0.809
  767   3HG2  THR  98          3HG2      THR  98  -6.699   8.287  -0.507
  768    H    CYS  99           H        CYS  99  -4.057   8.993   2.757
  769    HA   CYS  99           HA       CYS  99  -1.971  11.073   2.768
  770   1HB   CYS  99          1HB       CYS  99  -4.069  10.499   4.847
  771   2HB   CYS  99          1HB       CYS  99  -2.534  11.258   5.290
  772    H    SER 100           H        SER 100  -1.759   8.296   2.166
  773    HA   SER 100           HA       SER 100   0.122   7.446   4.269
  774   1HB   SER 100          1HB       SER 100  -2.090   5.969   3.044
  775   2HB   SER 100          1HB       SER 100  -0.550   5.125   2.898
  776    HG   SER 100           HG       SER 100  -1.584   4.590   4.843
  777    H    PHE 101           H        PHE 101   1.993   6.232   3.413
  778    HA   PHE 101           HA       PHE 101   2.902   7.424   0.971
  779   1HB   PHE 101          1HB       PHE 101   4.358   6.915   2.984
  780   2HB   PHE 101          1HB       PHE 101   4.339   5.236   2.455
  781    HD1  PHE 101          1HD       PHE 101   6.135   8.196   2.351
  782    HD2  PHE 101          2HD       PHE 101   4.920   4.977  -0.154
  783    HE1  PHE 101          1HE       PHE 101   8.002   8.684   0.825
  784    HE2  PHE 101          2HE       PHE 101   6.785   5.460  -1.683
  785    HZ   PHE 101           HZ       PHE 101   8.329   7.315  -1.196
  786    H    VAL 102           H        VAL 102   2.147   6.688  -0.943
  787    HA   VAL 102           HA       VAL 102   2.426   3.843  -1.532
  788    HB   VAL 102           HB       VAL 102  -0.183   5.125  -2.275
  789   1HG1  VAL 102          1HG1      VAL 102   0.077   3.176  -3.466
  790   2HG1  VAL 102          2HG1      VAL 102  -0.793   2.598  -2.044
  791   3HG1  VAL 102          3HG1      VAL 102   0.952   2.369  -2.165
  792   1HG2  VAL 102          1HG2      VAL 102   0.029   3.394   0.161
  793   2HG2  VAL 102          2HG2      VAL 102  -1.263   4.493  -0.321
  794   3HG2  VAL 102          3HG2      VAL 102   0.258   5.138   0.284
  795    H    ALA 103           H        ALA 103   3.794   3.994  -3.242
  796    HA   ALA 103           HA       ALA 103   2.786   5.145  -5.694
  797   1HB   ALA 103          1HB       ALA 103   3.749   7.131  -5.594
  798   2HB   ALA 103          2HB       ALA 103   5.327   6.345  -5.557
  799   3HB   ALA 103          3HB       ALA 103   4.497   6.729  -4.049
  800    HA   PRO 104           HA       PRO 104   5.284   2.342  -8.024
  801   1HB   PRO 104          1HB       PRO 104   6.959   4.571  -9.049
  802   2HB   PRO 104          1HB       PRO 104   6.138   3.283  -9.935
  803   1HG   PRO 104          1HG       PRO 104   5.121   5.740  -9.907
  804   2HG   PRO 104          1HG       PRO 104   4.043   4.339  -9.745
  805   1HD   PRO 104          1HD       PRO 104   5.014   6.239  -7.641
  806   2HD   PRO 104          1HD       PRO 104   3.422   5.476  -7.820
  807    H    TRP 105           H        TRP 105   6.705   1.038  -7.144
  808    HA   TRP 105           HA       TRP 105   8.834   1.634  -5.467
  809   1HB   TRP 105          1HB       TRP 105   7.940  -0.642  -6.221
  810   2HB   TRP 105          1HB       TRP 105   8.860  -0.430  -7.676
  811    HD1  TRP 105           HD       TRP 105  10.935  -1.782  -7.626
  812    HE1  TRP 105          1HE       TRP 105  12.655  -2.468  -5.880
  813    HE3  TRP 105          3HE       TRP 105   8.886   0.469  -3.524
  814    HZ2  TRP 105          2HZ       TRP 105  13.104  -2.137  -3.106
  815    HZ3  TRP 105          3HZ       TRP 105  10.025   0.229  -1.359
  816    HH2  TRP 105           HH       TRP 105  12.103  -1.052  -1.166
  817    H    ASN 106           H        ASN 106   8.635   1.159  -8.894
  818    HA   ASN 106           HA       ASN 106  11.147   1.756  -9.636
  819   1HB   ASN 106          1HB       ASN 106   8.594   1.851 -11.154
  820   2HB   ASN 106          1HB       ASN 106  10.121   2.256 -11.934
  821   1HD2  ASN 106          1HD2      ASN 106   8.030  -0.103 -11.778
  822   2HD2  ASN 106          2HD2      ASN 106   9.061  -1.489 -11.832
  823    H    SER 107           H        SER 107  10.001   3.902  -7.921
  824    HA   SER 107           HA       SER 107  10.969   6.147  -9.524
  825   1HB   SER 107          1HB       SER 107   8.331   5.969  -8.900
  826   2HB   SER 107          1HB       SER 107   8.936   6.853  -7.499
  827    HG   SER 107           HG       SER 107   9.452   7.592 -10.188
  828    H    LEU 108           H        LEU 108  11.218   4.298  -6.935
  829    HA   LEU 108           HA       LEU 108  12.097   6.052  -4.898
  830   1HB   LEU 108          1HB       LEU 108  11.791   3.187  -5.362
  831   2HB   LEU 108          1HB       LEU 108  12.998   3.612  -4.164
  832    HG   LEU 108           HG       LEU 108  11.167   5.009  -3.051
  833   1HD1  LEU 108          1HD1      LEU 108   9.609   3.581  -5.157
  834   2HD1  LEU 108          2HD1      LEU 108   9.485   5.251  -4.603
  835   3HD1  LEU 108          3HD1      LEU 108   8.862   3.941  -3.600
  836   1HD2  LEU 108          1HD2      LEU 108  11.019   2.008  -3.199
  837   2HD2  LEU 108          2HD2      LEU 108  10.119   2.971  -2.027
  838   3HD2  LEU 108          3HD2      LEU 108  11.882   2.993  -2.020
  839    H    SER 109           H        SER 109  14.132   5.323  -3.759
  840    HA   SER 109           HA       SER 109  16.428   5.880  -5.516
  841   1HB   SER 109          1HB       SER 109  16.681   5.606  -2.551
  842   2HB   SER 109          1HB       SER 109  17.526   6.675  -3.653
  843    HG   SER 109           HG       SER 109  15.772   8.013  -3.718
  844    H    LEU 110           H        LEU 110  17.511   4.364  -6.255
  845    HA   LEU 110           HA       LEU 110  17.487   1.731  -6.010
  846   1HB   LEU 110          1HB       LEU 110  20.053   1.854  -6.308
  847   2HB   LEU 110          1HB       LEU 110  18.992   2.519  -7.500
  848    HG   LEU 110           HG       LEU 110  21.141   3.784  -6.606
  849   1HD1  LEU 110          1HD1      LEU 110  20.222   4.682  -8.481
  850   2HD1  LEU 110          2HD1      LEU 110  19.854   5.940  -7.301
  851   3HD1  LEU 110          3HD1      LEU 110  18.612   4.778  -7.767
  852   1HD2  LEU 110          1HD2      LEU 110  20.411   4.104  -4.352
  853   2HD2  LEU 110          2HD2      LEU 110  18.969   4.955  -4.934
  854   3HD2  LEU 110          3HD2      LEU 110  20.563   5.642  -5.192
  855    H    ALA 111           H        ALA 111  18.830   3.847  -3.605
  856    HA   ALA 111           HA       ALA 111  19.896   1.709  -2.042
  857   1HB   ALA 111          1HB       ALA 111  21.004   3.296  -0.845
  858   2HB   ALA 111          2HB       ALA 111  19.658   4.437  -0.936
  859   3HB   ALA 111          3HB       ALA 111  20.723   4.210  -2.332
  860    H    GLN 112           H        GLN 112  17.145   3.846  -2.237
  861    HA   GLN 112           HA       GLN 112  16.013   2.981   0.241
  862   1HB   GLN 112          1HB       GLN 112  15.830   5.301  -0.590
  863   2HB   GLN 112          1HB       GLN 112  15.036   4.715  -2.043
  864   1HG   GLN 112          1HG       GLN 112  13.171   3.937  -0.714
  865   2HG   GLN 112          1HG       GLN 112  13.966   4.528   0.745
  866   1HE2  GLN 112          1HE2      GLN 112  14.675   6.896   0.523
  867   2HE2  GLN 112          2HE2      GLN 112  13.493   7.976  -0.126
  868    H    ARG 113           H        ARG 113  16.442   1.740  -2.730
  869    HA   ARG 113           HA       ARG 113  13.909   0.329  -2.962
  870   1HB   ARG 113          1HB       ARG 113  16.005   0.936  -4.753
  871   2HB   ARG 113          1HB       ARG 113  16.165  -0.786  -4.442
  872   1HG   ARG 113          1HG       ARG 113  14.721  -0.979  -6.137
  873   2HG   ARG 113          1HG       ARG 113  13.523  -0.602  -4.908
  874   1HD   ARG 113          1HD       ARG 113  12.899   1.049  -6.270
  875   2HD   ARG 113          1HD       ARG 113  14.336   1.881  -5.662
  876    HE   ARG 113           HE       ARG 113  15.175   1.747  -7.773
  877   1HH1  ARG 113          1HH1      ARG 113  13.007  -0.932  -7.315
  878   2HH1  ARG 113          2HH1      ARG 113  13.207  -1.547  -8.916
  879   1HH2  ARG 113          1HH2      ARG 113  15.458   0.936  -9.892
  880   2HH2  ARG 113          2HH2      ARG 113  14.599  -0.487 -10.380
  881    H    ARG 114           H        ARG 114  17.231   0.090  -1.872
  882    HA   ARG 114           HA       ARG 114  16.930  -2.634  -0.940
  883   1HB   ARG 114          1HB       ARG 114  19.163  -2.592  -0.829
  884   2HB   ARG 114          1HB       ARG 114  19.057  -1.037  -1.618
  885   1HG   ARG 114          1HG       ARG 114  20.556  -0.785   0.160
  886   2HG   ARG 114          1HG       ARG 114  19.075   0.001   0.675
  887   1HD   ARG 114          1HD       ARG 114  19.131  -1.241   2.507
  888   2HD   ARG 114          1HD       ARG 114  18.845  -2.659   1.499
  889    HE   ARG 114           HE       ARG 114  21.062  -3.235   1.722
  890   1HH1  ARG 114          1HH1      ARG 114  20.587   0.017   2.900
  891   2HH1  ARG 114          2HH1      ARG 114  22.169   0.130   3.595
  892   1HH2  ARG 114          1HH2      ARG 114  23.144  -3.086   2.634
  893   2HH2  ARG 114          2HH2      ARG 114  23.620  -1.631   3.443
  894    H    GLY 115           H        GLY 115  17.398   0.531   0.584
  895   1HA   GLY 115          2HA       GLY 115  17.060  -0.197   3.202
  896   2HA   GLY 115          1HA       GLY 115  16.577   1.360   2.538
  897    H    PHE 116           H        PHE 116  14.389   0.785   0.957
  898    HA   PHE 116           HA       PHE 116  12.416   0.418   2.921
  899   1HB   PHE 116          1HB       PHE 116  12.349   0.420  -0.051
  900   2HB   PHE 116          1HB       PHE 116  11.008  -0.404   0.727
  901    HD1  PHE 116          1HD       PHE 116  12.806   2.823   0.608
  902    HD2  PHE 116          2HD       PHE 116   9.201   0.791   1.526
  903    HE1  PHE 116          1HE       PHE 116  11.655   4.983   0.883
  904    HE2  PHE 116          2HE       PHE 116   8.047   2.940   1.828
  905    HZ   PHE 116           HZ       PHE 116   9.278   5.043   1.500
  906    H    THR 117           H        THR 117  14.423  -1.849   1.593
  907    HA   THR 117           HA       THR 117  12.609  -4.064   2.160
  908    HB   THR 117           HB       THR 117  14.362  -3.668   0.075
  909    HG1  THR 117          1HG       THR 117  12.926  -5.792   1.098
  910   1HG2  THR 117          1HG2      THR 117  15.792  -5.287   2.114
  911   2HG2  THR 117          2HG2      THR 117  16.413  -4.181   0.891
  912   3HG2  THR 117          3HG2      THR 117  15.856  -5.784   0.426
  913    H    LYS 118           H        LYS 118  15.243  -2.260   3.455
  914    HA   LYS 118           HA       LYS 118  15.372  -4.108   5.713
  915   1HB   LYS 118          1HB       LYS 118  17.692  -4.303   5.697
  916   2HB   LYS 118          1HB       LYS 118  17.261  -4.403   3.993
  917   1HG   LYS 118          1HG       LYS 118  18.848  -2.883   3.691
  918   2HG   LYS 118          1HG       LYS 118  17.680  -1.724   4.320
  919   1HD   LYS 118          1HD       LYS 118  18.744  -2.700   6.619
  920   2HD   LYS 118          1HD       LYS 118  20.134  -2.797   5.535
  921   1HE   LYS 118          1HE       LYS 118  19.794  -0.426   4.943
  922   2HE   LYS 118          1HE       LYS 118  18.469  -0.354   6.101
  923   1HZ   LYS 118          1HZ       LYS 118  20.121  -1.030   7.826
  924   2HZ   LYS 118          2HZ       LYS 118  20.375   0.507   7.166
  925   3HZ   LYS 118          3HZ       LYS 118  21.340  -0.793   6.676
  926    H    THR 119           H        THR 119  15.947  -0.841   4.575
  927    HA   THR 119           HA       THR 119  16.953   0.279   6.960
  928    HB   THR 119           HB       THR 119  16.092   2.458   5.831
  929    HG1  THR 119          1HG       THR 119  14.805   1.027   4.410
  930   1HG2  THR 119          1HG2      THR 119  18.491   1.643   5.803
  931   2HG2  THR 119          2HG2      THR 119  17.989   2.646   4.444
  932   3HG2  THR 119          3HG2      THR 119  18.123   0.900   4.246
  933    H    TYR 120           H        TYR 120  13.524   0.370   5.738
  934    HA   TYR 120           HA       TYR 120  13.094   2.451   7.574
  935   1HB   TYR 120          1HB       TYR 120  11.262   1.060   5.680
  936   2HB   TYR 120          1HB       TYR 120  10.829   2.406   6.702
  937    HD1  TYR 120          1HD       TYR 120  10.889   4.508   5.869
  938    HD2  TYR 120          2HD       TYR 120  13.399   1.531   4.187
  939    HE1  TYR 120          1HE       TYR 120  11.645   6.103   4.173
  940    HE2  TYR 120          2HE       TYR 120  14.181   3.128   2.497
  941    HH   TYR 120           HH       TYR 120  12.710   5.826   1.705
  942    H    THR 121           H        THR 121  13.393  -0.469   8.647
  943    HA   THR 121           HA       THR 121  10.806  -0.641   9.950
  944    HB   THR 121           HB       THR 121  11.322  -2.746  10.472
  945    HG1  THR 121          1HG       THR 121  13.538  -3.263  11.281
  946   1HG2  THR 121          1HG2      THR 121  13.877  -3.102   9.251
  947   2HG2  THR 121          2HG2      THR 121  12.853  -2.086   8.234
  948   3HG2  THR 121          3HG2      THR 121  12.293  -3.679   8.733
  949    H    VAL 122           H        VAL 122  14.035  -0.450  10.737
  950    HA   VAL 122           HA       VAL 122  13.667   0.987  13.278
  951    HB   VAL 122           HB       VAL 122  16.332   0.166  12.156
  952   1HG1  VAL 122          1HG1      VAL 122  15.439   1.421  14.556
  953   2HG1  VAL 122          2HG1      VAL 122  17.085   1.029  14.058
  954   3HG1  VAL 122          3HG1      VAL 122  16.134  -0.148  14.961
  955   1HG2  VAL 122          1HG2      VAL 122  14.425  -1.684  12.436
  956   2HG2  VAL 122          2HG2      VAL 122  15.002  -1.630  14.096
  957   3HG2  VAL 122          3HG2      VAL 122  16.119  -2.002  12.784
  958    H    GLY 123           H        GLY 123  14.751   1.578  10.030
  959   1HA   GLY 123          2HA       GLY 123  15.672   4.273  10.825
  960   2HA   GLY 123          1HA       GLY 123  16.254   3.406   9.413
  961    H    CYS 124           H        CYS 124  12.942   3.103   9.988
  962    HA   CYS 124           HA       CYS 124  11.907   3.885   7.635
  963   1HB   CYS 124          1HB       CYS 124   9.811   4.302   8.825
  964   2HB   CYS 124          1HB       CYS 124  10.653   2.908   9.503
  965    H    GLU 125           H        GLU 125  12.912   6.059  10.186
  966    HA   GLU 125           HA       GLU 125  11.631   8.356   9.559
  967   1HB   GLU 125          1HB       GLU 125  14.028   9.406  10.267
  968   2HB   GLU 125          1HB       GLU 125  12.807   8.829  11.388
  969   1HG   GLU 125          1HG       GLU 125  13.940   6.639  11.447
  970   2HG   GLU 125          1HG       GLU 125  15.194   7.293  10.390
  971    H    GLU 126           H        GLU 126  11.464   8.121   7.129
  972    HA   GLU 126           HA       GLU 126  13.693   9.510   5.864
  973   1HB   GLU 126          1HB       GLU 126  11.922   7.417   4.894
  974   2HB   GLU 126          1HB       GLU 126  12.236   8.712   3.746
  975   1HG   GLU 126          1HG       GLU 126  14.410   7.258   5.218
  976   2HG   GLU 126          1HG       GLU 126  13.808   6.763   3.645
  Start of MODEL   24
    1   1H    CYS   1          1HT       CYS   1  -8.755  16.093  -0.127
    2   2H    CYS   1          2HT       CYS   1  -8.282  17.255   1.041
    3   3H    CYS   1          3HT       CYS   1  -9.743  16.380   1.240
    4    HA   CYS   1           HA       CYS   1  -7.693  15.722   2.567
    5   1HB   CYS   1          1HB       CYS   1  -8.961  13.938   2.993
    6   2HB   CYS   1          1HB       CYS   1  -9.990  14.428   1.664
    7    H    THR   2           H        THR   2  -7.647  15.267  -0.879
    8    HA   THR   2           HA       THR   2  -5.799  13.252  -1.014
    9    HB   THR   2           HB       THR   2  -5.257  14.095  -3.290
   10    HG1  THR   2          1HG       THR   2  -5.517  16.366  -2.604
   11   1HG2  THR   2          1HG2      THR   2  -7.567  14.095  -4.207
   12   2HG2  THR   2          2HG2      THR   2  -8.168  14.069  -2.548
   13   3HG2  THR   2          3HG2      THR   2  -7.196  12.727  -3.156
   14    H    CYS   3           H        CYS   3  -4.130  13.383   0.382
   15    HA   CYS   3           HA       CYS   3  -2.444  15.724   0.576
   16   1HB   CYS   3          1HB       CYS   3  -1.953  12.997   1.752
   17   2HB   CYS   3          1HB       CYS   3  -1.327  14.522   2.326
   18    H    VAL   4           H        VAL   4  -0.012  15.225   0.651
   19    HA   VAL   4           HA       VAL   4   0.731  13.800  -1.814
   20    HB   VAL   4           HB       VAL   4   2.685  15.144  -1.954
   21   1HG1  VAL   4          1HG1      VAL   4   1.804  17.261  -2.347
   22   2HG1  VAL   4          2HG1      VAL   4   0.661  17.138  -1.010
   23   3HG1  VAL   4          3HG1      VAL   4   0.406  16.193  -2.477
   24   1HG2  VAL   4          1HG2      VAL   4   3.388  15.132   0.349
   25   2HG2  VAL   4          2HG2      VAL   4   2.025  16.154   0.808
   26   3HG2  VAL   4          3HG2      VAL   4   3.303  16.799  -0.222
   27    HA   PRO   5           HA       PRO   5   2.930  10.499   0.062
   28   1HB   PRO   5          1HB       PRO   5   5.485  11.916  -0.585
   29   2HB   PRO   5          1HB       PRO   5   5.054  10.219  -0.816
   30   1HG   PRO   5          1HG       PRO   5   5.010  11.984  -2.846
   31   2HG   PRO   5          1HG       PRO   5   3.860  10.640  -2.738
   32   1HD   PRO   5          1HD       PRO   5   3.400  13.523  -2.383
   33   2HD   PRO   5          1HD       PRO   5   2.238  12.233  -2.726
   34    HA   PRO   6           HA       PRO   6   3.863  12.511   4.087
   35   1HB   PRO   6          1HB       PRO   6   2.673  10.706   5.614
   36   2HB   PRO   6          1HB       PRO   6   1.695  11.837   4.667
   37   1HG   PRO   6          1HG       PRO   6   2.376   8.979   4.086
   38   2HG   PRO   6          1HG       PRO   6   0.823   9.811   3.922
   39   1HD   PRO   6          1HD       PRO   6   2.557   9.352   1.836
   40   2HD   PRO   6          1HD       PRO   6   1.351  10.654   1.866
   41    H    HIS   7           H        HIS   7   5.659  12.248   5.157
   42    HA   HIS   7           HA       HIS   7   7.741  10.852   4.621
   43   1HB   HIS   7          1HB       HIS   7   6.961  10.895   7.520
   44   2HB   HIS   7          1HB       HIS   7   8.549  11.127   6.804
   45    HD1  HIS   7          1HD       HIS   7   6.207  13.004   8.537
   46    HD2  HIS   7          2HD       HIS   7   8.253  13.664   4.981
   47    HE1  HIS   7          1HE       HIS   7   6.144  15.492   8.178
   48    HE2  HIS   7          2HE       HIS   7   7.300  15.856   5.970
   49    HA   PRO   8           HA       PRO   8   6.930   6.479   4.949
   50   1HB   PRO   8          1HB       PRO   8   9.377   5.670   4.333
   51   2HB   PRO   8          1HB       PRO   8   8.391   6.486   3.102
   52   1HG   PRO   8          1HG       PRO   8  10.393   7.704   4.981
   53   2HG   PRO   8          1HG       PRO   8  10.396   7.782   3.202
   54   1HD   PRO   8          1HD       PRO   8   9.353   9.775   4.642
   55   2HD   PRO   8          1HD       PRO   8   8.525   9.209   3.171
   56    H    GLN   9           H        GLN   9   8.697   8.581   6.802
   57    HA   GLN   9           HA       GLN   9   9.978   6.749   8.586
   58   1HB   GLN   9          1HB       GLN   9  10.901   8.949   8.683
   59   2HB   GLN   9          1HB       GLN   9   9.326   9.704   8.664
   60   1HG   GLN   9          1HG       GLN   9   9.391   8.204  11.024
   61   2HG   GLN   9          1HG       GLN   9  10.973   8.958  10.904
   62   1HE2  GLN   9          1HE2      GLN   9   7.663   9.977  10.106
   63   2HE2  GLN   9          2HE2      GLN   9   7.731  11.455  10.998
   64    H    THR  10           H        THR  10   6.905   8.518   8.373
   65    HA   THR  10           HA       THR  10   5.965   7.325  10.799
   66    HB   THR  10           HB       THR  10   5.406   9.630   9.057
   67    HG1  THR  10          1HG       THR  10   5.770  10.475  10.891
   68   1HG2  THR  10          1HG2      THR  10   2.996   9.473  10.413
   69   2HG2  THR  10          2HG2      THR  10   3.176   7.918   9.606
   70   3HG2  THR  10          3HG2      THR  10   3.266   9.416   8.667
   71    H    ALA  11           H        ALA  11   5.325   7.490   7.239
   72    HA   ALA  11           HA       ALA  11   3.099   5.835   7.149
   73   1HB   ALA  11          1HB       ALA  11   4.204   7.251   5.332
   74   2HB   ALA  11          2HB       ALA  11   3.408   5.740   4.888
   75   3HB   ALA  11          3HB       ALA  11   5.166   5.806   5.017
   76    H    PHE  12           H        PHE  12   6.560   4.997   7.198
   77    HA   PHE  12           HA       PHE  12   6.007   2.240   6.662
   78   1HB   PHE  12          1HB       PHE  12   8.289   3.656   6.472
   79   2HB   PHE  12          1HB       PHE  12   8.534   2.973   8.074
   80    HD1  PHE  12          1HD       PHE  12   7.895   0.351   8.170
   81    HD2  PHE  12          2HD       PHE  12   9.167   2.476   4.711
   82    HE1  PHE  12          1HE       PHE  12   8.654  -1.754   7.152
   83    HE2  PHE  12          2HE       PHE  12   9.925   0.369   3.695
   84    HZ   PHE  12           HZ       PHE  12   9.666  -1.750   4.913
   85    H    CYS  13           H        CYS  13   7.368   3.768   9.578
   86    HA   CYS  13           HA       CYS  13   6.925   1.553  11.181
   87   1HB   CYS  13          1HB       CYS  13   7.662   4.395  11.673
   88   2HB   CYS  13          1HB       CYS  13   7.264   3.356  13.036
   89    H    ASN  14           H        ASN  14   4.452   3.995  10.327
   90    HA   ASN  14           HA       ASN  14   3.121   3.390  12.813
   91   1HB   ASN  14          1HB       ASN  14   2.849   5.417  10.654
   92   2HB   ASN  14          1HB       ASN  14   1.346   4.831  11.346
   93   1HD2  ASN  14          1HD2      ASN  14   4.391   6.403  12.055
   94   2HD2  ASN  14          2HD2      ASN  14   3.867   7.175  13.508
   95    H    SER  15           H        SER  15   2.956   2.879   9.266
   96    HA   SER  15           HA       SER  15   0.559   1.474   9.296
   97   1HB   SER  15          1HB       SER  15   2.357   2.420   7.382
   98   2HB   SER  15          1HB       SER  15   2.213   0.696   7.119
   99    HG   SER  15           HG       SER  15   0.494   2.628   6.487
  100    H    ASP  16           H        ASP  16   0.201  -0.430   9.270
  101    HA   ASP  16           HA       ASP  16   2.048  -2.361  10.316
  102   1HB   ASP  16          1HB       ASP  16  -0.826  -1.891  10.435
  103   2HB   ASP  16          1HB       ASP  16  -0.335  -3.586  10.481
  104    H    LEU  17           H        LEU  17   1.562  -1.571   7.432
  105    HA   LEU  17           HA       LEU  17   2.172  -4.129   6.438
  106   1HB   LEU  17          1HB       LEU  17  -0.583  -3.284   6.126
  107   2HB   LEU  17          1HB       LEU  17   0.187  -3.630   4.589
  108    HG   LEU  17           HG       LEU  17  -0.180  -5.484   6.928
  109   1HD1  LEU  17          1HD1      LEU  17  -0.969  -5.834   4.055
  110   2HD1  LEU  17          2HD1      LEU  17  -2.014  -5.018   5.209
  111   3HD1  LEU  17          3HD1      LEU  17  -1.569  -6.708   5.458
  112   1HD2  LEU  17          1HD2      LEU  17   2.109  -5.596   5.681
  113   2HD2  LEU  17          2HD2      LEU  17   1.164  -6.306   4.381
  114   3HD2  LEU  17          3HD2      LEU  17   1.202  -7.077   5.966
  115    H    VAL  18           H        VAL  18   3.813  -3.735   5.177
  116    HA   VAL  18           HA       VAL  18   3.606  -1.573   3.221
  117    HB   VAL  18           HB       VAL  18   6.185  -2.059   4.692
  118   1HG1  VAL  18          1HG1      VAL  18   5.654  -0.696   2.404
  119   2HG1  VAL  18          2HG1      VAL  18   7.008  -0.355   3.480
  120   3HG1  VAL  18          3HG1      VAL  18   5.524   0.589   3.605
  121   1HG2  VAL  18          1HG2      VAL  18   4.749  -1.383   6.457
  122   2HG2  VAL  18          2HG2      VAL  18   3.952  -0.179   5.447
  123   3HG2  VAL  18          3HG2      VAL  18   5.621   0.067   5.962
  124    H    ILE  19           H        ILE  19   3.972  -2.376   1.286
  125    HA   ILE  19           HA       ILE  19   5.848  -4.578   0.918
  126    HB   ILE  19           HB       ILE  19   4.211  -5.852  -0.349
  127   1HG1  ILE  19          1HG1      ILE  19   2.112  -3.872   0.541
  128   2HG1  ILE  19          1HG1      ILE  19   2.889  -3.783  -1.038
  129   1HG2  ILE  19          1HG2      ILE  19   3.291  -6.855   1.445
  130   2HG2  ILE  19          2HG2      ILE  19   2.643  -5.349   2.095
  131   3HG2  ILE  19          3HG2      ILE  19   4.342  -5.750   2.327
  132   1HD1  ILE  19          1HD1      ILE  19   0.606  -4.995  -0.750
  133   2HD1  ILE  19          2HD1      ILE  19   1.609  -6.331  -0.184
  134   3HD1  ILE  19          3HD1      ILE  19   1.845  -5.675  -1.803
  135    H    ARG  20           H        ARG  20   5.246  -5.148  -1.690
  136    HA   ARG  20           HA       ARG  20   5.295  -2.675  -3.152
  137   1HB   ARG  20          1HB       ARG  20   7.109  -3.622  -4.641
  138   2HB   ARG  20          1HB       ARG  20   7.652  -3.081  -3.061
  139   1HG   ARG  20          1HG       ARG  20   7.848  -5.274  -2.265
  140   2HG   ARG  20          1HG       ARG  20   6.981  -5.935  -3.642
  141   1HD   ARG  20          1HD       ARG  20   9.762  -4.816  -3.535
  142   2HD   ARG  20          1HD       ARG  20   9.246  -6.412  -4.070
  143    HE   ARG  20           HE       ARG  20   8.087  -4.534  -5.770
  144   1HH1  ARG  20          1HH1      ARG  20  11.261  -5.731  -4.953
  145   2HH1  ARG  20          2HH1      ARG  20  11.947  -5.320  -6.489
  146   1HH2  ARG  20          1HH2      ARG  20   8.996  -3.972  -7.778
  147   2HH2  ARG  20          2HH2      ARG  20  10.660  -4.328  -8.096
  148    H    ALA  21           H        ALA  21   3.951  -2.890  -4.714
  149    HA   ALA  21           HA       ALA  21   3.279  -5.525  -5.837
  150   1HB   ALA  21          1HB       ALA  21   0.848  -5.274  -5.379
  151   2HB   ALA  21          2HB       ALA  21   1.244  -3.902  -4.342
  152   3HB   ALA  21          3HB       ALA  21   1.850  -5.509  -3.946
  153    H    LYS  22           H        LYS  22   1.572  -5.553  -7.348
  154    HA   LYS  22           HA       LYS  22   1.567  -3.226  -9.179
  155   1HB   LYS  22          1HB       LYS  22   1.731  -6.156  -9.529
  156   2HB   LYS  22          1HB       LYS  22   0.715  -5.327 -10.686
  157   1HG   LYS  22          1HG       LYS  22   2.605  -4.020 -11.402
  158   2HG   LYS  22          1HG       LYS  22   3.611  -4.716 -10.131
  159   1HD   LYS  22          1HD       LYS  22   2.545  -6.906 -11.476
  160   2HD   LYS  22          1HD       LYS  22   2.939  -5.750 -12.735
  161   1HE   LYS  22          1HE       LYS  22   5.205  -5.529 -11.620
  162   2HE   LYS  22          1HE       LYS  22   4.768  -6.976 -10.711
  163   1HZ   LYS  22          1HZ       LYS  22   4.270  -7.933 -13.039
  164   2HZ   LYS  22          2HZ       LYS  22   5.877  -7.831 -12.524
  165   3HZ   LYS  22          3HZ       LYS  22   5.259  -6.681 -13.600
  166    H    PHE  23           H        PHE  23  -0.550  -2.579 -10.010
  167    HA   PHE  23           HA       PHE  23  -2.783  -3.656  -8.429
  168   1HB   PHE  23          1HB       PHE  23  -2.714  -1.246 -10.273
  169   2HB   PHE  23          1HB       PHE  23  -4.068  -1.720  -9.251
  170    HD1  PHE  23          1HD       PHE  23  -0.403  -1.154  -8.838
  171    HD2  PHE  23          2HD       PHE  23  -4.329  -0.472  -7.349
  172    HE1  PHE  23          1HE       PHE  23   0.520   0.148  -6.989
  173    HE2  PHE  23          2HE       PHE  23  -3.390   0.850  -5.498
  174    HZ   PHE  23           HZ       PHE  23  -0.950   1.154  -5.328
  175    H    VAL  24           H        VAL  24  -3.984  -5.109  -9.117
  176    HA   VAL  24           HA       VAL  24  -4.363  -5.441 -11.995
  177    HB   VAL  24           HB       VAL  24  -4.300  -7.964 -11.121
  178   1HG1  VAL  24          1HG1      VAL  24  -2.343  -6.178 -12.352
  179   2HG1  VAL  24          2HG1      VAL  24  -2.972  -7.722 -12.925
  180   3HG1  VAL  24          3HG1      VAL  24  -1.699  -7.686 -11.704
  181   1HG2  VAL  24          1HG2      VAL  24  -3.778  -7.514  -8.887
  182   2HG2  VAL  24          2HG2      VAL  24  -2.413  -6.501  -9.364
  183   3HG2  VAL  24          3HG2      VAL  24  -2.366  -8.241  -9.652
  184    H    GLY  25           H        GLY  25  -6.315  -4.264 -10.366
  185   1HA   GLY  25          2HA       GLY  25  -8.574  -5.813 -10.993
  186   2HA   GLY  25          1HA       GLY  25  -8.304  -5.884  -9.266
  187    H    THR  26           H        THR  26 -10.637  -4.756 -10.169
  188    HA   THR  26           HA       THR  26 -10.228  -1.861 -10.166
  189    HB   THR  26           HB       THR  26 -12.881  -2.112 -10.490
  190    HG1  THR  26          1HG       THR  26 -12.910  -4.348 -10.387
  191   1HG2  THR  26          1HG2      THR  26 -10.665  -2.247 -12.472
  192   2HG2  THR  26          2HG2      THR  26 -11.830  -0.959 -12.168
  193   3HG2  THR  26          3HG2      THR  26 -12.334  -2.424 -13.011
  194    HA   PRO  27           HA       PRO  27 -11.777  -1.096  -6.129
  195   1HB   PRO  27          1HB       PRO  27 -13.195   1.175  -6.432
  196   2HB   PRO  27          1HB       PRO  27 -11.441   1.120  -6.601
  197   1HG   PRO  27          1HG       PRO  27 -13.549   1.199  -8.709
  198   2HG   PRO  27          1HG       PRO  27 -11.965   1.994  -8.673
  199   1HD   PRO  27          1HD       PRO  27 -12.520  -0.323 -10.063
  200   2HD   PRO  27          1HD       PRO  27 -10.907   0.168  -9.535
  201    H    GLU  28           H        GLU  28 -13.180  -2.410  -5.155
  202    HA   GLU  28           HA       GLU  28 -15.969  -2.321  -6.062
  203   1HB   GLU  28          1HB       GLU  28 -14.324  -4.462  -4.841
  204   2HB   GLU  28          1HB       GLU  28 -16.045  -4.430  -4.467
  205   1HG   GLU  28          1HG       GLU  28 -16.291  -5.591  -6.349
  206   2HG   GLU  28          1HG       GLU  28 -16.072  -4.032  -7.144
  207    H    VAL  29           H        VAL  29 -17.215  -1.070  -5.071
  208    HA   VAL  29           HA       VAL  29 -16.641  -0.326  -2.309
  209    HB   VAL  29           HB       VAL  29 -18.707   0.977  -4.016
  210   1HG1  VAL  29          1HG1      VAL  29 -17.442   2.893  -2.524
  211   2HG1  VAL  29          2HG1      VAL  29 -17.422   1.496  -1.448
  212   3HG1  VAL  29          3HG1      VAL  29 -18.952   2.091  -2.092
  213   1HG2  VAL  29          1HG2      VAL  29 -16.325   2.485  -4.110
  214   2HG2  VAL  29          2HG2      VAL  29 -17.183   1.720  -5.444
  215   3HG2  VAL  29          3HG2      VAL  29 -15.918   0.839  -4.590
  216    H    ASN  30           H        ASN  30 -17.689  -1.749  -0.785
  217    HA   ASN  30           HA       ASN  30 -20.354  -2.667  -1.209
  218   1HB   ASN  30          1HB       ASN  30 -18.567  -3.295   0.715
  219   2HB   ASN  30          1HB       ASN  30 -19.535  -2.113   1.586
  220   1HD2  ASN  30          1HD2      ASN  30 -20.977  -3.019   2.816
  221   2HD2  ASN  30          2HD2      ASN  30 -21.925  -4.407   2.419
  222    H    GLN  31           H        GLN  31 -22.272  -1.777  -0.432
  223    HA   GLN  31           HA       GLN  31 -22.339   1.101  -0.400
  224   1HB   GLN  31          1HB       GLN  31 -24.599  -0.818   0.123
  225   2HB   GLN  31          1HB       GLN  31 -24.741   0.844  -0.447
  226   1HG   GLN  31          1HG       GLN  31 -23.811  -1.586  -1.931
  227   2HG   GLN  31          1HG       GLN  31 -25.170  -0.527  -2.304
  228   1HE2  GLN  31          1HE2      GLN  31 -23.618   1.904  -1.798
  229   2HE2  GLN  31          2HE2      GLN  31 -22.565   2.089  -3.154
  230    H    THR  32           H        THR  32 -22.005  -1.342   1.921
  231    HA   THR  32           HA       THR  32 -22.706   0.587   4.010
  232    HB   THR  32           HB       THR  32 -23.821  -2.125   3.441
  233    HG1  THR  32          1HG       THR  32 -25.688  -1.034   4.314
  234   1HG2  THR  32          1HG2      THR  32 -24.483  -2.656   5.604
  235   2HG2  THR  32          2HG2      THR  32 -24.009  -1.083   6.244
  236   3HG2  THR  32          3HG2      THR  32 -22.779  -2.254   5.775
  237    H    THR  33           H        THR  33 -20.099   0.202   3.201
  238    HA   THR  33           HA       THR  33 -19.044  -1.559   5.269
  239    HB   THR  33           HB       THR  33 -17.919  -2.274   3.429
  240    HG1  THR  33          1HG       THR  33 -15.949  -1.471   3.435
  241   1HG2  THR  33          1HG2      THR  33 -19.174  -0.617   1.902
  242   2HG2  THR  33          2HG2      THR  33 -17.626  -1.261   1.369
  243   3HG2  THR  33          3HG2      THR  33 -17.717   0.353   2.069
  244    H    LEU  34           H        LEU  34 -18.562   1.349   3.384
  245    HA   LEU  34           HA       LEU  34 -18.067   3.498   4.231
  246   1HB   LEU  34          1HB       LEU  34 -17.590   1.948   6.675
  247   2HB   LEU  34          1HB       LEU  34 -16.498   3.255   6.396
  248    HG   LEU  34           HG       LEU  34 -19.487   3.515   6.424
  249   1HD1  LEU  34          1HD1      LEU  34 -17.987   4.733   8.601
  250   2HD1  LEU  34          2HD1      LEU  34 -17.887   2.971   8.574
  251   3HD1  LEU  34          3HD1      LEU  34 -19.461   3.764   8.641
  252   1HD2  LEU  34          1HD2      LEU  34 -19.220   5.757   6.085
  253   2HD2  LEU  34          2HD2      LEU  34 -17.804   5.173   5.201
  254   3HD2  LEU  34          3HD2      LEU  34 -17.630   5.793   6.848
  255    H    TYR  35           H        TYR  35 -16.512   0.740   3.522
  256    HA   TYR  35           HA       TYR  35 -14.167   2.162   2.602
  257   1HB   TYR  35          1HB       TYR  35 -12.837  -0.028   3.175
  258   2HB   TYR  35          1HB       TYR  35 -12.993   1.298   4.306
  259    HD1  TYR  35          1HD       TYR  35 -14.889   1.197   5.948
  260    HD2  TYR  35          2HD       TYR  35 -13.400  -2.166   3.843
  261    HE1  TYR  35          1HE       TYR  35 -15.800  -0.238   7.666
  262    HE2  TYR  35          2HE       TYR  35 -14.334  -3.664   5.572
  263    HH   TYR  35           HH       TYR  35 -15.064  -3.626   7.847
  264    H    GLN  36           H        GLN  36 -12.894   0.992   1.074
  265    HA   GLN  36           HA       GLN  36 -14.568  -0.724  -0.637
  266   1HB   GLN  36          1HB       GLN  36 -12.735   1.552  -1.372
  267   2HB   GLN  36          1HB       GLN  36 -13.399   0.421  -2.547
  268   1HG   GLN  36          1HG       GLN  36 -15.554   1.242  -2.271
  269   2HG   GLN  36          1HG       GLN  36 -15.152   2.038  -0.745
  270   1HE2  GLN  36          1HE2      GLN  36 -14.429   4.079  -0.786
  271   2HE2  GLN  36          2HE2      GLN  36 -14.144   5.005  -2.213
  272    H    ARG  37           H        ARG  37 -12.879  -1.494  -2.516
  273    HA   ARG  37           HA       ARG  37 -10.331  -2.158  -1.342
  274   1HB   ARG  37          1HB       ARG  37 -11.281  -4.615  -2.437
  275   2HB   ARG  37          1HB       ARG  37 -10.704  -4.279  -0.816
  276   1HG   ARG  37          1HG       ARG  37 -12.734  -4.558   0.004
  277   2HG   ARG  37          1HG       ARG  37 -13.392  -3.326  -1.072
  278   1HD   ARG  37          1HD       ARG  37 -13.121  -5.337  -2.817
  279   2HD   ARG  37          1HD       ARG  37 -13.357  -6.270  -1.339
  280    HE   ARG  37           HE       ARG  37 -15.331  -4.343  -1.359
  281   1HH1  ARG  37          1HH1      ARG  37 -14.354  -7.001  -3.395
  282   2HH1  ARG  37          2HH1      ARG  37 -15.957  -7.314  -3.969
  283   1HH2  ARG  37          1HH2      ARG  37 -17.439  -4.745  -2.119
  284   2HH2  ARG  37          2HH2      ARG  37 -17.709  -6.033  -3.244
  285    H    TYR  38           H        TYR  38  -8.838  -2.965  -2.754
  286    HA   TYR  38           HA       TYR  38  -9.435  -2.751  -5.640
  287   1HB   TYR  38          1HB       TYR  38  -7.292  -1.367  -4.071
  288   2HB   TYR  38          1HB       TYR  38  -6.867  -1.975  -5.653
  289    HD1  TYR  38          1HD       TYR  38  -8.863  -1.274  -7.465
  290    HD2  TYR  38          2HD       TYR  38  -7.680   0.881  -3.999
  291    HE1  TYR  38          1HE       TYR  38  -9.673   0.814  -8.473
  292    HE2  TYR  38          2HE       TYR  38  -8.499   2.942  -4.983
  293    HH   TYR  38           HH       TYR  38  -9.524   3.897  -6.716
  294    H    GLU  39           H        GLU  39  -8.146  -4.229  -6.914
  295    HA   GLU  39           HA       GLU  39  -6.933  -6.348  -5.306
  296   1HB   GLU  39          1HB       GLU  39  -8.613  -7.186  -6.772
  297   2HB   GLU  39          1HB       GLU  39  -8.024  -6.243  -8.102
  298   1HG   GLU  39          1HG       GLU  39  -7.444  -8.504  -8.509
  299   2HG   GLU  39          1HG       GLU  39  -5.966  -7.627  -8.121
  300    H    ILE  40           H        ILE  40  -4.817  -6.822  -5.461
  301    HA   ILE  40           HA       ILE  40  -3.326  -5.304  -7.490
  302    HB   ILE  40           HB       ILE  40  -1.439  -5.336  -5.720
  303   1HG1  ILE  40          1HG1      ILE  40  -3.718  -5.418  -3.767
  304   2HG1  ILE  40          1HG1      ILE  40  -2.906  -6.903  -4.254
  305   1HG2  ILE  40          1HG2      ILE  40  -2.645  -3.327  -6.499
  306   2HG2  ILE  40          2HG2      ILE  40  -2.183  -3.225  -4.801
  307   3HG2  ILE  40          3HG2      ILE  40  -3.851  -3.591  -5.241
  308   1HD1  ILE  40          1HD1      ILE  40  -2.145  -5.077  -2.260
  309   2HD1  ILE  40          2HD1      ILE  40  -0.945  -4.959  -3.547
  310   3HD1  ILE  40          3HD1      ILE  40  -1.288  -6.520  -2.802
  311    H    LYS  41           H        LYS  41  -0.992  -6.136  -7.482
  312    HA   LYS  41           HA       LYS  41  -0.977  -9.056  -7.612
  313   1HB   LYS  41          1HB       LYS  41  -0.584  -7.344  -9.748
  314   2HB   LYS  41          1HB       LYS  41   1.051  -7.602  -9.175
  315   1HG   LYS  41          1HG       LYS  41  -0.076 -10.141  -9.247
  316   2HG   LYS  41          1HG       LYS  41  -0.649  -9.339 -10.711
  317   1HD   LYS  41          1HD       LYS  41   1.332  -9.722 -11.651
  318   2HD   LYS  41          1HD       LYS  41   2.074  -8.666 -10.450
  319   1HE   LYS  41          1HE       LYS  41   1.522 -11.287  -9.359
  320   2HE   LYS  41          1HE       LYS  41   2.528 -11.389 -10.802
  321   1HZ   LYS  41          1HZ       LYS  41   3.938 -11.166  -8.914
  322   2HZ   LYS  41          2HZ       LYS  41   3.086  -9.818  -8.346
  323   3HZ   LYS  41          3HZ       LYS  41   4.000  -9.705  -9.766
  324    H    MET  42           H        MET  42  -0.402  -8.886  -5.355
  325    HA   MET  42           HA       MET  42   1.656  -7.339  -4.351
  326   1HB   MET  42          1HB       MET  42   0.049  -8.515  -2.938
  327   2HB   MET  42          1HB       MET  42   0.745 -10.059  -3.412
  328   1HG   MET  42          1HG       MET  42   2.763  -8.280  -2.380
  329   2HG   MET  42          1HG       MET  42   1.445  -8.491  -1.230
  330   1HE   MET  42          1HE       MET  42   3.221  -9.156   0.236
  331   2HE   MET  42          2HE       MET  42   4.630  -9.898  -0.519
  332   3HE   MET  42          3HE       MET  42   3.590 -10.853   0.533
  333    H    THR  43           H        THR  43   3.641  -7.251  -5.127
  334    HA   THR  43           HA       THR  43   4.818  -9.506  -6.369
  335    HB   THR  43           HB       THR  43   6.783  -8.152  -6.726
  336    HG1  THR  43          1HG       THR  43   7.282  -6.672  -5.372
  337   1HG2  THR  43          1HG2      THR  43   5.914  -6.741  -8.236
  338   2HG2  THR  43          2HG2      THR  43   4.754  -6.055  -7.097
  339   3HG2  THR  43          3HG2      THR  43   4.428  -7.612  -7.858
  340    H    LYS  44           H        LYS  44   5.743  -7.638  -3.440
  341    HA   LYS  44           HA       LYS  44   6.394 -10.038  -2.008
  342   1HB   LYS  44          1HB       LYS  44   8.496  -8.521  -3.317
  343   2HB   LYS  44          1HB       LYS  44   8.712  -8.516  -1.573
  344   1HG   LYS  44          1HG       LYS  44   8.133 -11.144  -2.091
  345   2HG   LYS  44          1HG       LYS  44   9.081 -10.667  -3.500
  346   1HD   LYS  44          1HD       LYS  44  10.545  -9.554  -1.516
  347   2HD   LYS  44          1HD       LYS  44   9.885 -10.960  -0.680
  348   1HE   LYS  44          1HE       LYS  44  11.886 -11.741  -1.590
  349   2HE   LYS  44          1HE       LYS  44  10.659 -12.297  -2.727
  350   1HZ   LYS  44          1HZ       LYS  44  12.818 -10.440  -3.124
  351   2HZ   LYS  44          2HZ       LYS  44  11.335  -9.864  -3.700
  352   3HZ   LYS  44          3HZ       LYS  44  11.944 -11.340  -4.259
  353    H    MET  45           H        MET  45   6.555  -9.611   0.295
  354    HA   MET  45           HA       MET  45   5.291  -7.094   1.054
  355   1HB   MET  45          1HB       MET  45   4.998  -8.141   3.267
  356   2HB   MET  45          1HB       MET  45   4.346  -9.144   1.978
  357   1HG   MET  45          1HG       MET  45   7.091  -9.821   2.469
  358   2HG   MET  45          1HG       MET  45   6.166  -9.875   3.968
  359   1HE   MET  45          1HE       MET  45   6.996 -11.478   0.627
  360   2HE   MET  45          2HE       MET  45   6.455 -13.117   0.988
  361   3HE   MET  45          3HE       MET  45   7.628 -12.325   2.039
  362    H    TYR  46           H        TYR  46   6.226  -5.536   2.364
  363    HA   TYR  46           HA       TYR  46   9.077  -5.880   3.011
  364   1HB   TYR  46          1HB       TYR  46   7.526  -3.618   1.815
  365   2HB   TYR  46          1HB       TYR  46   8.972  -3.270   2.741
  366    HD1  TYR  46          1HD       TYR  46   8.323  -6.087   0.387
  367    HD2  TYR  46          2HD       TYR  46  10.510  -2.525   1.160
  368    HE1  TYR  46          1HE       TYR  46   9.694  -6.508  -1.604
  369    HE2  TYR  46          2HE       TYR  46  11.888  -2.935  -0.834
  370    HH   TYR  46           HH       TYR  46  11.613  -4.217  -3.033
  371    H    LYS  47           H        LYS  47   6.328  -6.003   4.576
  372    HA   LYS  47           HA       LYS  47   7.208  -5.490   7.087
  373   1HB   LYS  47          1HB       LYS  47   7.074  -3.022   5.987
  374   2HB   LYS  47          1HB       LYS  47   5.437  -3.166   6.606
  375   1HG   LYS  47          1HG       LYS  47   8.021  -3.234   8.129
  376   2HG   LYS  47          1HG       LYS  47   6.668  -2.119   8.307
  377   1HD   LYS  47          1HD       LYS  47   6.432  -5.068   8.873
  378   2HD   LYS  47          1HD       LYS  47   6.925  -3.902  10.099
  379   1HE   LYS  47          1HE       LYS  47   4.370  -3.674   8.522
  380   2HE   LYS  47          1HE       LYS  47   4.480  -4.485  10.084
  381   1HZ   LYS  47          1HZ       LYS  47   5.545  -1.773   9.904
  382   2HZ   LYS  47          2HZ       LYS  47   4.744  -2.537  11.182
  383   3HZ   LYS  47          3HZ       LYS  47   3.863  -1.944   9.867
  384    H    GLY  48           H        GLY  48   5.839  -6.791   8.181
  385   1HA   GLY  48          2HA       GLY  48   3.373  -6.739   8.941
  386   2HA   GLY  48          1HA       GLY  48   3.062  -6.992   7.230
  387    H    PHE  49           H        PHE  49   5.887  -8.551   7.807
  388    HA   PHE  49           HA       PHE  49   5.027 -11.053   7.337
  389   1HB   PHE  49          1HB       PHE  49   7.283 -10.613   9.220
  390   2HB   PHE  49          1HB       PHE  49   7.032 -11.923   8.068
  391    HD1  PHE  49          1HD       PHE  49   7.969  -8.371   8.412
  392    HD2  PHE  49          2HD       PHE  49   7.617 -11.687   5.764
  393    HE1  PHE  49          1HE       PHE  49   9.248  -7.142   6.706
  394    HE2  PHE  49          2HE       PHE  49   8.897 -10.462   4.057
  395    HZ   PHE  49           HZ       PHE  49   9.712  -8.187   4.526
  396    H    GLN  50           H        GLN  50   5.221  -9.530  10.530
  397    HA   GLN  50           HA       GLN  50   4.553 -11.746  12.064
  398   1HB   GLN  50          1HB       GLN  50   3.711 -10.081  13.723
  399   2HB   GLN  50          1HB       GLN  50   5.320  -9.722  13.117
  400   1HG   GLN  50          1HG       GLN  50   2.956  -8.459  11.817
  401   2HG   GLN  50          1HG       GLN  50   3.535  -7.841  13.361
  402   1HE2  GLN  50          1HE2      GLN  50   6.101  -7.736  13.311
  403   2HE2  GLN  50          2HE2      GLN  50   6.730  -6.861  11.959
  404    H    ALA  51           H        ALA  51   2.599  -9.635  10.084
  405    HA   ALA  51           HA       ALA  51   0.069 -10.699  11.002
  406   1HB   ALA  51          1HB       ALA  51   0.519  -9.225   8.435
  407   2HB   ALA  51          2HB       ALA  51   0.508  -8.369   9.981
  408   3HB   ALA  51          3HB       ALA  51  -0.926  -9.252   9.450
  409    H    LEU  52           H        LEU  52   2.051 -10.843   8.005
  410    HA   LEU  52           HA       LEU  52   0.387 -12.844   6.942
  411   1HB   LEU  52          1HB       LEU  52   2.434 -13.160   5.331
  412   2HB   LEU  52          1HB       LEU  52   1.339 -11.805   5.186
  413    HG   LEU  52           HG       LEU  52   3.396 -11.044   6.955
  414   1HD1  LEU  52          1HD1      LEU  52   4.288 -12.630   4.602
  415   2HD1  LEU  52          2HD1      LEU  52   5.038 -12.461   6.189
  416   3HD1  LEU  52          3HD1      LEU  52   5.185 -11.168   5.004
  417   1HD2  LEU  52          1HD2      LEU  52   3.870  -9.634   4.728
  418   2HD2  LEU  52          2HD2      LEU  52   2.554  -9.279   5.848
  419   3HD2  LEU  52          3HD2      LEU  52   2.241 -10.214   4.386
  420    H    GLY  53           H        GLY  53   3.702 -13.546   6.816
  421   1HA   GLY  53          2HA       GLY  53   4.815 -15.109   8.331
  422   2HA   GLY  53          1HA       GLY  53   3.251 -15.877   8.548
  423    H    ASP  54           H        ASP  54   2.355 -15.994   5.987
  424    HA   ASP  54           HA       ASP  54   3.984 -18.149   5.002
  425   1HB   ASP  54          1HB       ASP  54   1.356 -16.942   4.169
  426   2HB   ASP  54          1HB       ASP  54   2.203 -18.068   3.112
  427    H    ALA  55           H        ALA  55   2.538 -16.091   2.740
  428    HA   ALA  55           HA       ALA  55   4.937 -14.588   2.224
  429   1HB   ALA  55          1HB       ALA  55   5.740 -15.745   0.522
  430   2HB   ALA  55          2HB       ALA  55   4.175 -15.729  -0.292
  431   3HB   ALA  55          3HB       ALA  55   4.552 -17.001   0.870
  432    H    ALA  56           H        ALA  56   1.677 -15.426   1.292
  433    HA   ALA  56           HA       ALA  56   1.331 -12.700   0.201
  434   1HB   ALA  56          1HB       ALA  56   1.186 -14.843  -1.292
  435   2HB   ALA  56          2HB       ALA  56   0.118 -13.463  -1.549
  436   3HB   ALA  56          3HB       ALA  56  -0.467 -14.880  -0.677
  437    H    ASP  57           H        ASP  57   0.765 -12.422   2.727
  438    HA   ASP  57           HA       ASP  57  -2.077 -13.050   3.094
  439   1HB   ASP  57          1HB       ASP  57   0.137 -12.877   4.867
  440   2HB   ASP  57          1HB       ASP  57  -1.039 -11.661   5.357
  441    H    ILE  58           H        ILE  58  -0.977 -10.923   1.254
  442    HA   ILE  58           HA       ILE  58  -2.778  -8.771   2.100
  443    HB   ILE  58           HB       ILE  58  -0.075  -7.990   1.077
  444   1HG1  ILE  58          1HG1      ILE  58  -0.292  -7.544   3.922
  445   2HG1  ILE  58          1HG1      ILE  58  -0.364  -9.255   3.555
  446   1HG2  ILE  58          1HG2      ILE  58  -2.065  -6.497   2.761
  447   2HG2  ILE  58          2HG2      ILE  58  -1.974  -6.428   1.001
  448   3HG2  ILE  58          3HG2      ILE  58  -0.623  -5.846   1.979
  449   1HD1  ILE  58          1HD1      ILE  58   1.919  -8.211   3.984
  450   2HD1  ILE  58          2HD1      ILE  58   1.747  -7.502   2.381
  451   3HD1  ILE  58          3HD1      ILE  58   1.745  -9.256   2.572
  452    H    ARG  59           H        ARG  59  -4.007  -9.649   0.126
  453    HA   ARG  59           HA       ARG  59  -2.580  -8.903  -2.313
  454   1HB   ARG  59          1HB       ARG  59  -4.847 -10.853  -2.017
  455   2HB   ARG  59          1HB       ARG  59  -3.860 -10.576  -3.447
  456   1HG   ARG  59          1HG       ARG  59  -1.879 -11.290  -2.100
  457   2HG   ARG  59          1HG       ARG  59  -3.001 -11.779  -0.831
  458   1HD   ARG  59          1HD       ARG  59  -2.978 -12.813  -3.663
  459   2HD   ARG  59          1HD       ARG  59  -2.360 -13.666  -2.249
  460    HE   ARG  59           HE       ARG  59  -5.098 -13.418  -3.056
  461   1HH1  ARG  59          1HH1      ARG  59  -2.968 -13.883  -0.330
  462   2HH1  ARG  59          2HH1      ARG  59  -4.177 -14.647   0.645
  463   1HH2  ARG  59          1HH2      ARG  59  -6.692 -14.422  -1.772
  464   2HH2  ARG  59          2HH2      ARG  59  -6.291 -14.953  -0.173
  465    H    PHE  60           H        PHE  60  -4.936  -7.628  -0.460
  466    HA   PHE  60           HA       PHE  60  -6.011  -6.012  -2.591
  467   1HB   PHE  60          1HB       PHE  60  -7.634  -7.606  -0.592
  468   2HB   PHE  60          1HB       PHE  60  -8.286  -6.236  -1.477
  469    HD1  PHE  60          1HD       PHE  60  -6.700  -9.562  -1.994
  470    HD2  PHE  60          2HD       PHE  60  -9.315  -6.568  -3.512
  471    HE1  PHE  60          1HE       PHE  60  -7.371 -11.075  -3.816
  472    HE2  PHE  60          2HE       PHE  60  -9.988  -8.074  -5.336
  473    HZ   PHE  60           HZ       PHE  60  -9.017 -10.330  -5.489
  474    H    VAL  61           H        VAL  61  -6.614  -4.080  -1.987
  475    HA   VAL  61           HA       VAL  61  -5.634  -3.219   0.648
  476    HB   VAL  61           HB       VAL  61  -4.820  -1.339  -0.352
  477   1HG1  VAL  61          1HG1      VAL  61  -4.725  -2.999  -2.795
  478   2HG1  VAL  61          2HG1      VAL  61  -3.865  -3.469  -1.326
  479   3HG1  VAL  61          3HG1      VAL  61  -3.489  -1.938  -2.120
  480   1HG2  VAL  61          1HG2      VAL  61  -6.584  -0.238  -1.354
  481   2HG2  VAL  61          2HG2      VAL  61  -7.012  -1.641  -2.320
  482   3HG2  VAL  61          3HG2      VAL  61  -5.603  -0.676  -2.750
  483    H    TYR  62           H        TYR  62  -7.120  -2.455   2.051
  484    HA   TYR  62           HA       TYR  62  -9.684  -1.598   0.991
  485   1HB   TYR  62          1HB       TYR  62  -9.057  -2.617   3.753
  486   2HB   TYR  62          1HB       TYR  62 -10.653  -2.225   3.131
  487    HD1  TYR  62          1HD       TYR  62  -7.741  -4.299   1.930
  488    HD2  TYR  62          2HD       TYR  62 -11.936  -4.060   2.649
  489    HE1  TYR  62          1HE       TYR  62  -7.999  -6.597   1.134
  490    HE2  TYR  62          2HE       TYR  62 -12.202  -6.368   1.840
  491    HH   TYR  62           HH       TYR  62  -9.698  -8.050   0.218
  492    H    THR  63           H        THR  63  -9.940   0.419   0.841
  493    HA   THR  63           HA       THR  63  -9.056   2.302   2.958
  494    HB   THR  63           HB       THR  63  -8.244   3.395   1.066
  495    HG1  THR  63          1HG       THR  63  -9.616   4.880   1.599
  496   1HG2  THR  63          1HG2      THR  63  -8.804   1.652  -0.556
  497   2HG2  THR  63          2HG2      THR  63  -9.220   3.251  -1.174
  498   3HG2  THR  63          3HG2      THR  63 -10.483   2.189  -0.555
  499    HA   PRO  64           HA       PRO  64 -13.340   3.077   4.013
  500   1HB   PRO  64          1HB       PRO  64 -13.008   5.976   4.076
  501   2HB   PRO  64          1HB       PRO  64 -13.240   4.850   5.415
  502   1HG   PRO  64          1HG       PRO  64 -10.906   6.196   4.909
  503   2HG   PRO  64          1HG       PRO  64 -10.995   4.661   5.792
  504   1HD   PRO  64          1HD       PRO  64 -10.158   5.212   3.001
  505   2HD   PRO  64          1HD       PRO  64  -9.581   3.967   4.122
  506    H    ALA  65           H        ALA  65 -15.224   3.527   3.013
  507    HA   ALA  65           HA       ALA  65 -15.232   4.661   0.377
  508   1HB   ALA  65          1HB       ALA  65 -16.136   2.296   1.082
  509   2HB   ALA  65          2HB       ALA  65 -16.899   3.234  -0.198
  510   3HB   ALA  65          3HB       ALA  65 -17.588   3.233   1.425
  511    H    MET  66           H        MET  66 -15.301   6.363   2.793
  512    HA   MET  66           HA       MET  66 -18.031   7.388   2.773
  513   1HB   MET  66          1HB       MET  66 -16.078   7.256   4.738
  514   2HB   MET  66          1HB       MET  66 -16.089   8.955   4.282
  515   1HG   MET  66          1HG       MET  66 -18.742   7.771   4.671
  516   2HG   MET  66          1HG       MET  66 -17.732   7.824   6.115
  517   1HE   MET  66          1HE       MET  66 -20.537  10.812   5.167
  518   2HE   MET  66          2HE       MET  66 -20.419   9.105   4.739
  519   3HE   MET  66          3HE       MET  66 -19.878  10.339   3.602
  520    H    GLU  67           H        GLU  67 -18.211   9.871   2.708
  521    HA   GLU  67           HA       GLU  67 -17.152  10.716   0.180
  522   1HB   GLU  67          1HB       GLU  67 -18.946  12.032   2.213
  523   2HB   GLU  67          1HB       GLU  67 -18.397  12.870   0.767
  524   1HG   GLU  67          1HG       GLU  67 -19.729  10.213   0.523
  525   2HG   GLU  67          1HG       GLU  67 -20.695  11.665   0.786
  526    H    SER  68           H        SER  68 -15.691  12.311  -0.255
  527    HA   SER  68           HA       SER  68 -13.901  13.675   0.026
  528   1HB   SER  68          1HB       SER  68 -15.576  14.975   1.379
  529   2HB   SER  68          1HB       SER  68 -14.943  14.177   2.817
  530    HG   SER  68           HG       SER  68 -12.832  15.033   2.062
  531    H    VAL  69           H        VAL  69 -14.010  10.785   1.188
  532    HA   VAL  69           HA       VAL  69 -11.909  10.887   3.175
  533    HB   VAL  69           HB       VAL  69 -13.775   9.168   3.187
  534   1HG1  VAL  69          1HG1      VAL  69 -12.113   7.871   1.033
  535   2HG1  VAL  69          2HG1      VAL  69 -13.675   8.640   0.773
  536   3HG1  VAL  69          3HG1      VAL  69 -13.557   7.208   1.795
  537   1HG2  VAL  69          1HG2      VAL  69 -11.269   9.054   4.172
  538   2HG2  VAL  69          2HG2      VAL  69 -11.285   7.596   3.180
  539   3HG2  VAL  69          3HG2      VAL  69 -12.490   7.814   4.449
  540    H    CYS  70           H        CYS  70  -9.928   9.539   2.870
  541    HA   CYS  70           HA       CYS  70  -8.810  10.086   0.231
  542   1HB   CYS  70          1HB       CYS  70  -7.465   9.248   2.808
  543   2HB   CYS  70          1HB       CYS  70  -6.626   9.629   1.311
  544    H    GLY  71           H        GLY  71 -10.557   8.087   0.020
  545   1HA   GLY  71          2HA       GLY  71 -10.134   5.533   0.409
  546   2HA   GLY  71          1HA       GLY  71 -10.649   6.147  -1.142
  547    H    TYR  72           H        TYR  72  -9.307   6.034  -2.844
  548    HA   TYR  72           HA       TYR  72  -6.493   5.813  -2.558
  549   1HB   TYR  72          1HB       TYR  72  -7.389   3.571  -1.808
  550   2HB   TYR  72          1HB       TYR  72  -7.841   3.299  -3.482
  551    HD1  TYR  72          1HD       TYR  72  -5.150   5.008  -4.241
  552    HD2  TYR  72          2HD       TYR  72  -6.072   1.490  -2.049
  553    HE1  TYR  72          1HE       TYR  72  -2.902   4.162  -4.677
  554    HE2  TYR  72          2HE       TYR  72  -3.817   0.631  -2.471
  555    HH   TYR  72           HH       TYR  72  -1.407   2.547  -4.220
  556    H    PHE  73           H        PHE  73  -6.835   7.552  -4.088
  557    HA   PHE  73           HA       PHE  73  -7.962   7.062  -6.610
  558   1HB   PHE  73          1HB       PHE  73  -6.254   9.226  -5.476
  559   2HB   PHE  73          1HB       PHE  73  -6.419   9.131  -7.227
  560    HD1  PHE  73          1HD       PHE  73  -7.849  10.810  -7.912
  561    HD2  PHE  73          2HD       PHE  73  -8.844   8.514  -4.469
  562    HE1  PHE  73          1HE       PHE  73 -10.018  11.966  -7.772
  563    HE2  PHE  73          2HE       PHE  73 -11.012   9.665  -4.323
  564    HZ   PHE  73           HZ       PHE  73 -11.602  11.393  -5.976
  565    H    HIS  74           H        HIS  74  -7.170   5.136  -7.333
  566    HA   HIS  74           HA       HIS  74  -4.335   5.021  -8.033
  567   1HB   HIS  74          1HB       HIS  74  -5.041   3.025  -7.030
  568   2HB   HIS  74          1HB       HIS  74  -6.541   2.981  -7.944
  569    HD1  HIS  74          1HD       HIS  74  -6.409   0.966  -9.399
  570    HD2  HIS  74          2HD       HIS  74  -2.805   3.030  -9.284
  571    HE1  HIS  74          1HE       HIS  74  -4.887  -0.247 -10.991
  572    HE2  HIS  74          2HE       HIS  74  -2.663   0.911 -10.758
  573    H    ARG  75           H        ARG  75  -3.886   6.133  -9.820
  574    HA   ARG  75           HA       ARG  75  -5.631   5.803 -12.168
  575   1HB   ARG  75          1HB       ARG  75  -3.496   7.902 -11.971
  576   2HB   ARG  75          1HB       ARG  75  -4.958   7.903 -12.943
  577   1HG   ARG  75          1HG       ARG  75  -4.684   8.412  -9.998
  578   2HG   ARG  75          1HG       ARG  75  -5.290   9.497 -11.249
  579   1HD   ARG  75          1HD       ARG  75  -6.695   6.910 -10.811
  580   2HD   ARG  75          1HD       ARG  75  -6.923   8.199  -9.633
  581    HE   ARG  75           HE       ARG  75  -7.319   8.933 -12.410
  582   1HH1  ARG  75          1HH1      ARG  75  -8.787   7.905  -9.413
  583   2HH1  ARG  75          2HH1      ARG  75 -10.365   8.466  -9.850
  584   1HH2  ARG  75          1HH2      ARG  75  -9.398   9.667 -12.985
  585   2HH2  ARG  75          2HH2      ARG  75 -10.712   9.464 -11.876
  586    H    SER  76           H        SER  76  -4.333   3.619 -12.111
  587    HA   SER  76           HA       SER  76  -2.230   3.941 -14.102
  588   1HB   SER  76          1HB       SER  76  -1.863   2.606 -11.432
  589   2HB   SER  76          1HB       SER  76  -0.938   2.067 -12.833
  590    HG   SER  76           HG       SER  76   0.323   3.627 -12.108
  591    H    HIS  77           H        HIS  77  -3.579   3.086 -15.662
  592    HA   HIS  77           HA       HIS  77  -5.134   0.756 -15.415
  593   1HB   HIS  77          1HB       HIS  77  -3.927   2.133 -17.818
  594   2HB   HIS  77          1HB       HIS  77  -4.994   0.741 -17.957
  595    HD1  HIS  77          1HD       HIS  77  -5.479   3.673 -15.604
  596    HD2  HIS  77          2HD       HIS  77  -7.206   1.980 -18.983
  597    HE1  HIS  77          1HE       HIS  77  -7.622   4.938 -15.971
  598    HE2  HIS  77          2HE       HIS  77  -8.698   3.828 -17.960
  599    H    ASN  78           H        ASN  78  -1.803   1.221 -15.753
  600    HA   ASN  78           HA       ASN  78  -1.090  -1.209 -17.033
  601   1HB   ASN  78          1HB       ASN  78   0.285   1.015 -16.539
  602   2HB   ASN  78          1HB       ASN  78   0.847   0.062 -15.169
  603   1HD2  ASN  78          1HD2      ASN  78   0.796   0.370 -18.623
  604   2HD2  ASN  78          2HD2      ASN  78   2.038  -0.787 -18.949
  605    H    ARG  79           H        ARG  79  -1.520  -3.163 -16.236
  606    HA   ARG  79           HA       ARG  79  -1.598  -3.633 -13.385
  607   1HB   ARG  79          1HB       ARG  79  -2.203  -6.005 -14.177
  608   2HB   ARG  79          1HB       ARG  79  -3.352  -4.711 -14.473
  609   1HG   ARG  79          1HG       ARG  79  -1.432  -5.164 -16.641
  610   2HG   ARG  79          1HG       ARG  79  -2.521  -6.514 -16.318
  611   1HD   ARG  79          1HD       ARG  79  -3.232  -3.684 -17.054
  612   2HD   ARG  79          1HD       ARG  79  -3.582  -5.162 -17.947
  613    HE   ARG  79           HE       ARG  79  -5.114  -4.035 -15.815
  614   1HH1  ARG  79          1HH1      ARG  79  -4.233  -7.047 -17.342
  615   2HH1  ARG  79          2HH1      ARG  79  -5.693  -7.853 -16.880
  616   1HH2  ARG  79          1HH2      ARG  79  -7.041  -5.092 -15.215
  617   2HH2  ARG  79          2HH2      ARG  79  -7.289  -6.743 -15.674
  618    H    SER  80           H        SER  80   0.795  -3.654 -15.668
  619    HA   SER  80           HA       SER  80   2.343  -5.770 -14.335
  620   1HB   SER  80          1HB       SER  80   2.214  -6.043 -16.742
  621   2HB   SER  80          1HB       SER  80   2.757  -4.384 -16.992
  622    HG   SER  80           HG       SER  80   4.663  -5.265 -17.058
  623    H    GLU  81           H        GLU  81   1.866  -2.472 -14.188
  624    HA   GLU  81           HA       GLU  81   4.660  -1.791 -13.729
  625   1HB   GLU  81          1HB       GLU  81   2.735  -0.208 -14.604
  626   2HB   GLU  81          1HB       GLU  81   2.439   0.027 -12.884
  627   1HG   GLU  81          1HG       GLU  81   5.249   0.259 -13.658
  628   2HG   GLU  81          1HG       GLU  81   4.193   1.465 -14.391
  629    H    GLU  82           H        GLU  82   5.673  -2.040 -11.839
  630    HA   GLU  82           HA       GLU  82   4.413  -3.174  -9.583
  631   1HB   GLU  82          1HB       GLU  82   7.210  -2.185 -10.096
  632   2HB   GLU  82          1HB       GLU  82   6.713  -2.853  -8.543
  633   1HG   GLU  82          1HG       GLU  82   6.015  -4.924  -9.703
  634   2HG   GLU  82          1HG       GLU  82   6.647  -4.258 -11.205
  635    H    PHE  83           H        PHE  83   4.935  -2.154  -7.270
  636    HA   PHE  83           HA       PHE  83   4.788   0.691  -7.213
  637   1HB   PHE  83          1HB       PHE  83   2.313  -0.896  -7.062
  638   2HB   PHE  83          1HB       PHE  83   2.491   0.367  -5.854
  639    HD1  PHE  83          1HD       PHE  83   1.910  -0.373  -9.369
  640    HD2  PHE  83          2HD       PHE  83   2.694   2.700  -6.535
  641    HE1  PHE  83          1HE       PHE  83   1.163   1.311 -10.993
  642    HE2  PHE  83          2HE       PHE  83   1.946   4.387  -8.154
  643    HZ   PHE  83           HZ       PHE  83   1.180   3.697 -10.385
  644    H    LEU  84           H        LEU  84   4.055   1.400  -4.993
  645    HA   LEU  84           HA       LEU  84   5.320  -0.280  -2.892
  646   1HB   LEU  84          1HB       LEU  84   6.718   1.702  -3.635
  647   2HB   LEU  84          1HB       LEU  84   5.470   2.741  -2.980
  648    HG   LEU  84           HG       LEU  84   7.545   2.296  -1.546
  649   1HD1  LEU  84          1HD1      LEU  84   5.656   1.700   0.405
  650   2HD1  LEU  84          2HD1      LEU  84   4.757   2.549  -0.853
  651   3HD1  LEU  84          3HD1      LEU  84   6.175   3.299  -0.124
  652   1HD2  LEU  84          1HD2      LEU  84   7.351  -0.226  -1.986
  653   2HD2  LEU  84          2HD2      LEU  84   6.093  -0.196  -0.749
  654   3HD2  LEU  84          3HD2      LEU  84   7.733   0.310  -0.349
  655    H    ILE  85           H        ILE  85   4.057  -0.663  -1.155
  656    HA   ILE  85           HA       ILE  85   1.764   1.162  -0.752
  657    HB   ILE  85           HB       ILE  85   1.644  -1.838  -0.406
  658   1HG1  ILE  85          1HG1      ILE  85   1.998  -1.278  -2.759
  659   2HG1  ILE  85          1HG1      ILE  85   0.354  -1.854  -2.505
  660   1HG2  ILE  85          1HG2      ILE  85  -0.875  -0.532  -0.852
  661   2HG2  ILE  85          2HG2      ILE  85  -0.041   0.220   0.507
  662   3HG2  ILE  85          3HG2      ILE  85  -0.353  -1.515   0.517
  663   1HD1  ILE  85          1HD1      ILE  85   0.819   0.218  -4.008
  664   2HD1  ILE  85          2HD1      ILE  85   0.892   1.072  -2.469
  665   3HD1  ILE  85          3HD1      ILE  85  -0.571   0.202  -2.923
  666    H    ALA  86           H        ALA  86   2.000   2.143   1.044
  667    HA   ALA  86           HA       ALA  86   2.887   0.783   3.546
  668   1HB   ALA  86          1HB       ALA  86   3.117   3.012   4.563
  669   2HB   ALA  86          2HB       ALA  86   2.584   3.763   3.062
  670   3HB   ALA  86          3HB       ALA  86   4.116   2.891   3.116
  671    H    GLY  87           H        GLY  87   1.187  -0.006   4.629
  672   1HA   GLY  87          2HA       GLY  87  -1.134   1.592   5.227
  673   2HA   GLY  87          1HA       GLY  87  -1.491   0.270   4.128
  674    H    LYS  88           H        LYS  88  -2.182   0.892   7.059
  675    HA   LYS  88           HA       LYS  88  -1.037  -1.167   8.665
  676   1HB   LYS  88          1HB       LYS  88  -2.923   1.020   8.987
  677   2HB   LYS  88          1HB       LYS  88  -3.420  -0.400   9.881
  678   1HG   LYS  88          1HG       LYS  88  -2.010   0.125  11.498
  679   2HG   LYS  88          1HG       LYS  88  -0.659   0.068  10.377
  680   1HD   LYS  88          1HD       LYS  88  -0.420   2.267  10.623
  681   2HD   LYS  88          1HD       LYS  88  -1.990   2.485   9.853
  682   1HE   LYS  88          1HE       LYS  88  -3.088   2.342  12.018
  683   2HE   LYS  88          1HE       LYS  88  -1.538   2.044  12.804
  684   1HZ   LYS  88          1HZ       LYS  88  -2.305   4.369  12.972
  685   2HZ   LYS  88          2HZ       LYS  88  -2.197   4.513  11.290
  686   3HZ   LYS  88          3HZ       LYS  88  -0.804   4.227  12.204
  687    H    LEU  89           H        LEU  89  -2.727  -2.667   9.908
  688    HA   LEU  89           HA       LEU  89  -4.438  -3.924   7.869
  689   1HB   LEU  89          1HB       LEU  89  -2.387  -5.072   9.654
  690   2HB   LEU  89          1HB       LEU  89  -3.854  -6.010   9.470
  691    HG   LEU  89           HG       LEU  89  -2.015  -5.141   7.250
  692   1HD1  LEU  89          1HD1      LEU  89  -1.144  -7.256   7.238
  693   2HD1  LEU  89          2HD1      LEU  89  -2.607  -7.977   7.914
  694   3HD1  LEU  89          3HD1      LEU  89  -1.490  -7.097   8.959
  695   1HD2  LEU  89          1HD2      LEU  89  -4.413  -6.947   7.080
  696   2HD2  LEU  89          2HD2      LEU  89  -3.433  -6.328   5.754
  697   3HD2  LEU  89          3HD2      LEU  89  -4.450  -5.236   6.679
  698    H    GLN  90           H        GLN  90  -6.458  -4.135   8.349
  699    HA   GLN  90           HA       GLN  90  -7.330  -3.973  11.161
  700   1HB   GLN  90          1HB       GLN  90  -9.453  -3.163  10.443
  701   2HB   GLN  90          1HB       GLN  90  -8.227  -2.235   9.593
  702   1HG   GLN  90          1HG       GLN  90  -9.061  -2.817   7.642
  703   2HG   GLN  90          1HG       GLN  90  -8.975  -4.521   8.041
  704   1HE2  GLN  90          1HE2      GLN  90 -10.750  -5.269   9.552
  705   2HE2  GLN  90          2HE2      GLN  90 -12.340  -4.680   9.222
  706    H    ASP  91           H        ASP  91  -7.824  -5.823  12.076
  707    HA   ASP  91           HA       ASP  91  -8.157  -8.098  12.269
  708   1HB   ASP  91          1HB       ASP  91 -10.559  -6.759  11.176
  709   2HB   ASP  91          1HB       ASP  91 -10.587  -8.520  11.238
  710    H    GLY  92           H        GLY  92  -6.629  -7.581   9.804
  711   1HA   GLY  92          2HA       GLY  92  -5.916  -9.603   8.586
  712   2HA   GLY  92          1HA       GLY  92  -7.605  -9.951   8.327
  713    H    LEU  93           H        LEU  93  -7.596  -6.806   7.844
  714    HA   LEU  93           HA       LEU  93  -7.099  -7.125   4.956
  715   1HB   LEU  93          1HB       LEU  93  -9.093  -5.317   6.305
  716   2HB   LEU  93          1HB       LEU  93  -8.896  -5.540   4.579
  717    HG   LEU  93           HG       LEU  93  -9.708  -7.757   6.449
  718   1HD1  LEU  93          1HD1      LEU  93 -11.868  -7.165   6.324
  719   2HD1  LEU  93          2HD1      LEU  93 -11.728  -6.636   4.648
  720   3HD1  LEU  93          3HD1      LEU  93 -11.239  -5.560   5.956
  721   1HD2  LEU  93          1HD2      LEU  93  -9.262  -7.480   3.544
  722   2HD2  LEU  93          2HD2      LEU  93 -10.662  -8.427   4.044
  723   3HD2  LEU  93          3HD2      LEU  93  -9.049  -8.876   4.598
  724    H    LEU  94           H        LEU  94  -5.939  -5.698   3.861
  725    HA   LEU  94           HA       LEU  94  -4.320  -3.870   5.274
  726   1HB   LEU  94          1HB       LEU  94  -3.552  -4.952   3.225
  727   2HB   LEU  94          1HB       LEU  94  -4.823  -4.162   2.313
  728    HG   LEU  94           HG       LEU  94  -3.797  -1.999   2.646
  729   1HD1  LEU  94          1HD1      LEU  94  -2.625  -3.180   4.890
  730   2HD1  LEU  94          2HD1      LEU  94  -2.396  -1.535   4.302
  731   3HD1  LEU  94          3HD1      LEU  94  -1.291  -2.811   3.799
  732   1HD2  LEU  94          1HD2      LEU  94  -1.333  -3.323   1.913
  733   2HD2  LEU  94          2HD2      LEU  94  -2.424  -2.344   0.931
  734   3HD2  LEU  94          3HD2      LEU  94  -2.728  -4.069   1.134
  735    H    HIS  95           H        HIS  95  -4.270  -1.608   5.040
  736    HA   HIS  95           HA       HIS  95  -6.661  -0.348   3.996
  737   1HB   HIS  95          1HB       HIS  95  -5.941  -0.345   6.861
  738   2HB   HIS  95          1HB       HIS  95  -6.441   1.197   6.177
  739    HD1  HIS  95          1HD       HIS  95  -8.796   1.526   6.844
  740    HD2  HIS  95          2HD       HIS  95  -8.065  -2.374   5.629
  741    HE1  HIS  95          1HE       HIS  95 -11.037   0.390   6.850
  742    HE2  HIS  95          2HE       HIS  95 -10.541  -2.008   6.262
  743    H    ILE  96           H        ILE  96  -6.361   1.601   3.148
  744    HA   ILE  96           HA       ILE  96  -3.815   2.979   3.526
  745    HB   ILE  96           HB       ILE  96  -3.163   2.988   1.209
  746   1HG1  ILE  96          1HG1      ILE  96  -5.404   2.911   0.206
  747   2HG1  ILE  96          1HG1      ILE  96  -4.333   1.710  -0.500
  748   1HG2  ILE  96          1HG2      ILE  96  -3.387   0.473   2.659
  749   2HG2  ILE  96          2HG2      ILE  96  -2.007   1.190   1.842
  750   3HG2  ILE  96          3HG2      ILE  96  -3.200   0.271   0.925
  751   1HD1  ILE  96          1HD1      ILE  96  -5.966   0.765   1.744
  752   2HD1  ILE  96          2HD1      ILE  96  -5.566  -0.004   0.230
  753   3HD1  ILE  96          3HD1      ILE  96  -6.845   1.201   0.287
  754    H    THR  97           H        THR  97  -3.698   4.962   2.147
  755    HA   THR  97           HA       THR  97  -6.146   5.975   1.084
  756    HB   THR  97           HB       THR  97  -6.048   7.996   2.684
  757    HG1  THR  97          1HG       THR  97  -5.250   7.322   4.790
  758   1HG2  THR  97          1HG2      THR  97  -6.859   5.531   4.152
  759   2HG2  THR  97          2HG2      THR  97  -7.741   6.035   2.710
  760   3HG2  THR  97          3HG2      THR  97  -7.633   7.115   4.101
  761    H    THR  98           H        THR  98  -5.895   8.199   0.258
  762    HA   THR  98           HA       THR  98  -3.430   8.461  -1.136
  763    HB   THR  98           HB       THR  98  -4.407  10.235  -2.298
  764    HG1  THR  98          1HG       THR  98  -5.070  11.702  -0.919
  765   1HG2  THR  98          1HG2      THR  98  -6.286   9.337  -3.130
  766   2HG2  THR  98          2HG2      THR  98  -7.017   9.118  -1.540
  767   3HG2  THR  98          3HG2      THR  98  -5.812   7.970  -2.122
  768    H    CYS  99           H        CYS  99  -3.958   9.026   1.978
  769    HA   CYS  99           HA       CYS  99  -2.118  11.316   2.127
  770   1HB   CYS  99          1HB       CYS  99  -4.565  11.402   3.164
  771   2HB   CYS  99          1HB       CYS  99  -3.795  10.499   4.450
  772    H    SER 100           H        SER 100  -1.848   8.319   1.879
  773    HA   SER 100           HA       SER 100  -0.049   7.894   4.172
  774   1HB   SER 100          1HB       SER 100  -2.126   6.417   4.137
  775   2HB   SER 100          1HB       SER 100  -1.492   5.709   2.653
  776    HG   SER 100           HG       SER 100  -0.165   4.567   3.807
  777    H    PHE 101           H        PHE 101   1.871   6.547   3.602
  778    HA   PHE 101           HA       PHE 101   2.964   7.437   1.164
  779   1HB   PHE 101          1HB       PHE 101   4.234   6.783   3.270
  780   2HB   PHE 101          1HB       PHE 101   4.098   5.122   2.697
  781    HD1  PHE 101          1HD       PHE 101   4.805   4.842   0.140
  782    HD2  PHE 101          2HD       PHE 101   6.118   7.951   2.731
  783    HE1  PHE 101          1HE       PHE 101   6.773   5.199  -1.293
  784    HE2  PHE 101          2HE       PHE 101   8.091   8.312   1.306
  785    HZ   PHE 101           HZ       PHE 101   8.420   6.935  -0.710
  786    H    VAL 102           H        VAL 102   2.079   6.773  -0.731
  787    HA   VAL 102           HA       VAL 102   2.183   3.920  -1.341
  788    HB   VAL 102           HB       VAL 102  -0.357   5.441  -1.894
  789   1HG1  VAL 102          1HG1      VAL 102  -0.027   2.478  -1.674
  790   2HG1  VAL 102          2HG1      VAL 102   0.348   3.331  -3.172
  791   3HG1  VAL 102          3HG1      VAL 102  -1.280   3.405  -2.496
  792   1HG2  VAL 102          1HG2      VAL 102  -0.033   5.334   0.537
  793   2HG2  VAL 102          2HG2      VAL 102   0.158   3.584   0.426
  794   3HG2  VAL 102          3HG2      VAL 102  -1.383   4.333   0.006
  795    H    ALA 103           H        ALA 103   3.597   4.104  -3.030
  796    HA   ALA 103           HA       ALA 103   2.592   5.307  -5.472
  797   1HB   ALA 103          1HB       ALA 103   3.460   7.324  -5.025
  798   2HB   ALA 103          2HB       ALA 103   4.976   6.582  -5.532
  799   3HB   ALA 103          3HB       ALA 103   4.580   6.692  -3.818
  800    HA   PRO 104           HA       PRO 104   5.065   2.565  -7.884
  801   1HB   PRO 104          1HB       PRO 104   6.696   4.862  -8.844
  802   2HB   PRO 104          1HB       PRO 104   5.932   3.563  -9.768
  803   1HG   PRO 104          1HG       PRO 104   4.795   5.953  -9.720
  804   2HG   PRO 104          1HG       PRO 104   3.779   4.511  -9.516
  805   1HD   PRO 104          1HD       PRO 104   4.772   6.437  -7.438
  806   2HD   PRO 104          1HD       PRO 104   3.176   5.676  -7.585
  807    H    TRP 105           H        TRP 105   6.459   1.274  -6.963
  808    HA   TRP 105           HA       TRP 105   8.580   1.790  -5.293
  809   1HB   TRP 105          1HB       TRP 105   7.683  -0.441  -6.116
  810   2HB   TRP 105          1HB       TRP 105   8.542  -0.177  -7.601
  811    HD1  TRP 105           HD       TRP 105  10.524  -1.696  -7.665
  812    HE1  TRP 105          1HE       TRP 105  12.325  -2.449  -6.014
  813    HE3  TRP 105          3HE       TRP 105   8.865   0.740  -3.490
  814    HZ2  TRP 105          2HZ       TRP 105  12.969  -2.078  -3.298
  815    HZ3  TRP 105          3HZ       TRP 105  10.145   0.491  -1.402
  816    HH2  TRP 105           HH       TRP 105  12.160  -0.883  -1.325
  817    H    ASN 106           H        ASN 106   8.425   1.409  -8.705
  818    HA   ASN 106           HA       ASN 106  10.957   2.096  -9.352
  819   1HB   ASN 106          1HB       ASN 106   8.503   2.139 -11.050
  820   2HB   ASN 106          1HB       ASN 106  10.115   2.401 -11.708
  821   1HD2  ASN 106          1HD2      ASN 106  11.707   0.636 -10.709
  822   2HD2  ASN 106          2HD2      ASN 106  11.154  -0.984 -10.935
  823    H    SER 107           H        SER 107   9.615   4.213  -7.740
  824    HA   SER 107           HA       SER 107  10.515   6.465  -9.380
  825   1HB   SER 107          1HB       SER 107   8.024   6.501  -9.157
  826   2HB   SER 107          1HB       SER 107   8.229   6.621  -7.409
  827    HG   SER 107           HG       SER 107   8.447   8.678  -7.694
  828    H    LEU 108           H        LEU 108  10.849   4.694  -6.764
  829    HA   LEU 108           HA       LEU 108  11.766   6.578  -4.826
  830   1HB   LEU 108          1HB       LEU 108  11.511   3.678  -5.070
  831   2HB   LEU 108          1HB       LEU 108  12.649   4.246  -3.889
  832    HG   LEU 108           HG       LEU 108  10.698   5.680  -2.997
  833   1HD1  LEU 108          1HD1      LEU 108   8.477   4.626  -3.416
  834   2HD1  LEU 108          2HD1      LEU 108   9.222   3.685  -4.708
  835   3HD1  LEU 108          3HD1      LEU 108   9.160   5.444  -4.820
  836   1HD2  LEU 108          1HD2      LEU 108  11.681   3.716  -1.871
  837   2HD2  LEU 108          2HD2      LEU 108  10.550   2.682  -2.744
  838   3HD2  LEU 108          3HD2      LEU 108   9.947   3.871  -1.587
  839    H    SER 109           H        SER 109  13.789   6.050  -3.722
  840    HA   SER 109           HA       SER 109  16.032   6.405  -5.554
  841   1HB   SER 109          1HB       SER 109  16.432   6.202  -2.624
  842   2HB   SER 109          1HB       SER 109  17.256   7.196  -3.796
  843    HG   SER 109           HG       SER 109  15.137   8.321  -3.976
  844    H    LEU 110           H        LEU 110  17.161   4.942  -6.276
  845    HA   LEU 110           HA       LEU 110  17.093   2.312  -6.074
  846   1HB   LEU 110          1HB       LEU 110  19.675   2.372  -6.257
  847   2HB   LEU 110          1HB       LEU 110  18.680   3.046  -7.496
  848    HG   LEU 110           HG       LEU 110  20.822   4.254  -6.457
  849   1HD1  LEU 110          1HD1      LEU 110  20.166   5.084  -8.443
  850   2HD1  LEU 110          2HD1      LEU 110  19.631   6.395  -7.391
  851   3HD1  LEU 110          3HD1      LEU 110  18.474   5.188  -7.955
  852   1HD2  LEU 110          1HD2      LEU 110  20.090   6.259  -5.266
  853   2HD2  LEU 110          2HD2      LEU 110  19.984   4.783  -4.320
  854   3HD2  LEU 110          3HD2      LEU 110  18.526   5.496  -5.021
  855    H    ALA 111           H        ALA 111  18.422   4.358  -3.586
  856    HA   ALA 111           HA       ALA 111  19.301   2.097  -2.069
  857   1HB   ALA 111          1HB       ALA 111  20.297   4.541  -2.200
  858   2HB   ALA 111          2HB       ALA 111  20.496   3.473  -0.799
  859   3HB   ALA 111          3HB       ALA 111  19.252   4.731  -0.786
  860    H    GLN 112           H        GLN 112  16.515   4.191  -2.339
  861    HA   GLN 112           HA       GLN 112  15.333   3.316   0.146
  862   1HB   GLN 112          1HB       GLN 112  14.040   4.718  -2.205
  863   2HB   GLN 112          1HB       GLN 112  13.447   4.660  -0.545
  864   1HG   GLN 112          1HG       GLN 112  16.015   5.970  -1.283
  865   2HG   GLN 112          1HG       GLN 112  14.465   6.799  -1.407
  866   1HE2  GLN 112          1HE2      GLN 112  13.973   7.974   0.298
  867   2HE2  GLN 112          2HE2      GLN 112  14.494   7.693   1.919
  868    H    ARG 113           H        ARG 113  15.811   2.288  -2.982
  869    HA   ARG 113           HA       ARG 113  13.459   0.603  -3.146
  870   1HB   ARG 113          1HB       ARG 113  15.428   1.467  -4.963
  871   2HB   ARG 113          1HB       ARG 113  15.785  -0.233  -4.705
  872   1HG   ARG 113          1HG       ARG 113  14.287  -0.647  -6.282
  873   2HG   ARG 113          1HG       ARG 113  13.073  -0.205  -5.091
  874   1HD   ARG 113          1HD       ARG 113  12.468   1.534  -6.290
  875   2HD   ARG 113          1HD       ARG 113  14.117   2.174  -6.229
  876    HE   ARG 113           HE       ARG 113  13.868   0.103  -8.171
  877   1HH1  ARG 113          1HH1      ARG 113  13.191   3.481  -7.626
  878   2HH1  ARG 113          2HH1      ARG 113  13.269   3.895  -9.305
  879   1HH2  ARG 113          1HH2      ARG 113  13.977   0.642 -10.376
  880   2HH2  ARG 113          2HH2      ARG 113  13.717   2.282 -10.869
  881    H    ARG 114           H        ARG 114  16.766   0.718  -2.160
  882    HA   ARG 114           HA       ARG 114  16.996  -2.038  -1.362
  883   1HB   ARG 114          1HB       ARG 114  18.607   0.413  -1.465
  884   2HB   ARG 114          1HB       ARG 114  18.918  -0.558  -0.038
  885   1HG   ARG 114          1HG       ARG 114  19.114  -1.503  -2.879
  886   2HG   ARG 114          1HG       ARG 114  20.464  -1.078  -1.821
  887   1HD   ARG 114          1HD       ARG 114  20.121  -2.853  -0.430
  888   2HD   ARG 114          1HD       ARG 114  18.446  -3.072  -0.930
  889    HE   ARG 114           HE       ARG 114  20.640  -4.420  -2.009
  890   1HH1  ARG 114          1HH1      ARG 114  17.805  -2.703  -3.132
  891   2HH1  ARG 114          2HH1      ARG 114  17.781  -3.499  -4.666
  892   1HH2  ARG 114          1HH2      ARG 114  20.584  -5.480  -4.026
  893   2HH2  ARG 114          2HH2      ARG 114  19.348  -5.080  -5.170
  894    H    GLY 115           H        GLY 115  17.102   1.039   0.312
  895   1HA   GLY 115          2HA       GLY 115  17.003   0.164   2.894
  896   2HA   GLY 115          1HA       GLY 115  16.368   1.721   2.341
  897    H    PHE 116           H        PHE 116  14.049   1.109   0.914
  898    HA   PHE 116           HA       PHE 116  12.366   0.480   3.048
  899   1HB   PHE 116          1HB       PHE 116  12.007   0.384   0.077
  900   2HB   PHE 116          1HB       PHE 116  10.801  -0.443   1.058
  901    HD1  PHE 116          1HD       PHE 116  12.549   2.833   0.777
  902    HD2  PHE 116          2HD       PHE 116   8.999   0.755   1.869
  903    HE1  PHE 116          1HE       PHE 116  11.422   4.981   1.190
  904    HE2  PHE 116          2HE       PHE 116   7.867   2.900   2.284
  905    HZ   PHE 116           HZ       PHE 116   9.079   5.015   1.943
  906    H    THR 117           H        THR 117  13.385  -1.622   0.428
  907    HA   THR 117           HA       THR 117  12.554  -4.046   1.260
  908    HB   THR 117           HB       THR 117  14.484  -3.087  -0.548
  909    HG1  THR 117          1HG       THR 117  12.978  -5.386  -0.170
  910   1HG2  THR 117          1HG2      THR 117  15.535  -5.620   0.650
  911   2HG2  THR 117          2HG2      THR 117  16.148  -4.045   1.152
  912   3HG2  THR 117          3HG2      THR 117  16.289  -4.548  -0.532
  913    H    LYS 118           H        LYS 118  15.089  -2.196   2.831
  914    HA   LYS 118           HA       LYS 118  15.294  -4.363   4.807
  915   1HB   LYS 118          1HB       LYS 118  17.737  -4.088   4.843
  916   2HB   LYS 118          1HB       LYS 118  17.130  -4.617   3.280
  917   1HG   LYS 118          1HG       LYS 118  17.160  -1.897   3.011
  918   2HG   LYS 118          1HG       LYS 118  18.589  -2.208   3.998
  919   1HD   LYS 118          1HD       LYS 118  18.556  -4.179   1.980
  920   2HD   LYS 118          1HD       LYS 118  18.195  -2.645   1.188
  921   1HE   LYS 118          1HE       LYS 118  20.284  -1.891   1.463
  922   2HE   LYS 118          1HE       LYS 118  20.360  -2.452   3.133
  923   1HZ   LYS 118          1HZ       LYS 118  20.813  -4.692   2.297
  924   2HZ   LYS 118          2HZ       LYS 118  21.990  -3.586   1.793
  925   3HZ   LYS 118          3HZ       LYS 118  20.803  -4.111   0.708
  926    H    THR 119           H        THR 119  15.871  -0.942   4.212
  927    HA   THR 119           HA       THR 119  16.803  -0.341   6.830
  928    HB   THR 119           HB       THR 119  16.408   2.047   5.963
  929    HG1  THR 119          1HG       THR 119  15.119   1.779   4.333
  930   1HG2  THR 119          1HG2      THR 119  18.421   1.995   4.582
  931   2HG2  THR 119          2HG2      THR 119  18.324   0.235   4.482
  932   3HG2  THR 119          3HG2      THR 119  18.647   1.018   6.033
  933    H    TYR 120           H        TYR 120  13.457   0.172   5.475
  934    HA   TYR 120           HA       TYR 120  13.202   2.080   7.621
  935   1HB   TYR 120          1HB       TYR 120  11.494   1.519   5.230
  936   2HB   TYR 120          1HB       TYR 120  11.139   2.707   6.461
  937    HD1  TYR 120          1HD       TYR 120  13.000   2.076   3.459
  938    HD2  TYR 120          2HD       TYR 120  12.752   4.583   6.863
  939    HE1  TYR 120          1HE       TYR 120  14.359   3.769   2.313
  940    HE2  TYR 120          2HE       TYR 120  14.102   6.280   5.744
  941    HH   TYR 120           HH       TYR 120  14.857   6.940   3.628
  942    H    THR 121           H        THR 121  13.017  -0.864   8.167
  943    HA   THR 121           HA       THR 121  10.299  -0.985   9.263
  944    HB   THR 121           HB       THR 121  10.356  -3.185   8.897
  945    HG1  THR 121          1HG       THR 121  12.134  -4.480   9.683
  946   1HG2  THR 121          1HG2      THR 121  13.099  -3.289   7.851
  947   2HG2  THR 121          2HG2      THR 121  11.992  -2.159   7.066
  948   3HG2  THR 121          3HG2      THR 121  11.585  -3.875   7.153
  949    H    VAL 122           H        VAL 122  13.398  -0.590   9.945
  950    HA   VAL 122           HA       VAL 122  13.055  -0.495  12.867
  951    HB   VAL 122           HB       VAL 122  15.748  -1.141  11.726
  952   1HG1  VAL 122          1HG1      VAL 122  16.185  -1.985  13.941
  953   2HG1  VAL 122          2HG1      VAL 122  14.497  -1.756  14.401
  954   3HG1  VAL 122          3HG1      VAL 122  15.519  -0.357  14.071
  955   1HG2  VAL 122          1HG2      VAL 122  14.894  -3.547  12.633
  956   2HG2  VAL 122          2HG2      VAL 122  14.845  -3.058  10.939
  957   3HG2  VAL 122          3HG2      VAL 122  13.402  -2.910  11.942
  958    H    GLY 123           H        GLY 123  14.389   0.926   9.996
  959   1HA   GLY 123          2HA       GLY 123  15.189   3.290  11.572
  960   2HA   GLY 123          1HA       GLY 123  16.073   2.743  10.154
  961    H    CYS 124           H        CYS 124  12.655   2.545  10.243
  962    HA   CYS 124           HA       CYS 124  11.993   3.660   7.903
  963   1HB   CYS 124          1HB       CYS 124   9.815   4.209   8.870
  964   2HB   CYS 124          1HB       CYS 124  10.425   2.657   9.433
  965    H    GLU 125           H        GLU 125  12.723   5.422  10.817
  966    HA   GLU 125           HA       GLU 125  11.891   7.944  10.232
  967   1HB   GLU 125          1HB       GLU 125  13.960   8.656  11.593
  968   2HB   GLU 125          1HB       GLU 125  12.780   7.605  12.372
  969   1HG   GLU 125          1HG       GLU 125  14.197   5.657  11.708
  970   2HG   GLU 125          1HG       GLU 125  15.415   6.814  11.166
  971    H    GLU 126           H        GLU 126  12.021   8.393   8.129
  972    HA   GLU 126           HA       GLU 126  13.693   8.318   6.174
  973   1HB   GLU 126          1HB       GLU 126  11.845  10.287   7.075
  974   2HB   GLU 126          1HB       GLU 126  13.231  11.126   6.401
  975   1HG   GLU 126          1HG       GLU 126  12.863   9.343   4.467
  976   2HG   GLU 126          1HG       GLU 126  11.216   9.420   5.090
  Start of MODEL   25
    1   1H    CYS   1          1HT       CYS   1  -8.094  14.982   3.727
    2   2H    CYS   1          2HT       CYS   1  -9.453  14.236   4.464
    3   3H    CYS   1          3HT       CYS   1  -9.424  14.488   2.766
    4    HA   CYS   1           HA       CYS   1  -7.748  12.664   4.348
    5   1HB   CYS   1          1HB       CYS   1 -10.242  12.476   2.897
    6   2HB   CYS   1          1HB       CYS   1  -9.047  11.392   2.207
    7    H    THR   2           H        THR   2  -8.531  13.729   1.034
    8    HA   THR   2           HA       THR   2  -6.255  12.571  -0.153
    9    HB   THR   2           HB       THR   2  -8.153  13.182  -1.513
   10    HG1  THR   2          1HG       THR   2  -6.151  15.007  -2.287
   11   1HG2  THR   2          1HG2      THR   2  -7.567  16.090  -1.098
   12   2HG2  THR   2          2HG2      THR   2  -8.768  15.225  -0.141
   13   3HG2  THR   2          3HG2      THR   2  -8.954  15.342  -1.890
   14    H    CYS   3           H        CYS   3  -4.412  13.073   1.018
   15    HA   CYS   3           HA       CYS   3  -3.637  15.911   0.993
   16   1HB   CYS   3          1HB       CYS   3  -2.819  15.734   3.080
   17   2HB   CYS   3          1HB       CYS   3  -3.888  14.363   3.194
   18    H    VAL   4           H        VAL   4  -0.997  15.851   1.401
   19    HA   VAL   4           HA       VAL   4  -0.058  14.580  -1.051
   20    HB   VAL   4           HB       VAL   4   1.665  16.191  -1.179
   21   1HG1  VAL   4          1HG1      VAL   4   0.471  18.150  -1.459
   22   2HG1  VAL   4          2HG1      VAL   4  -0.549  17.849  -0.051
   23   3HG1  VAL   4          3HG1      VAL   4  -0.785  16.913  -1.528
   24   1HG2  VAL   4          1HG2      VAL   4   2.465  16.165   1.092
   25   2HG2  VAL   4          2HG2      VAL   4   0.987  16.945   1.659
   26   3HG2  VAL   4          3HG2      VAL   4   2.110  17.828   0.623
   27    HA   PRO   5           HA       PRO   5   2.738  11.527   0.375
   28   1HB   PRO   5          1HB       PRO   5   4.930  13.455  -0.318
   29   2HB   PRO   5          1HB       PRO   5   4.825  11.717  -0.633
   30   1HG   PRO   5          1HG       PRO   5   4.261  13.480  -2.548
   31   2HG   PRO   5          1HG       PRO   5   3.320  11.987  -2.375
   32   1HD   PRO   5          1HD       PRO   5   2.554  14.773  -1.774
   33   2HD   PRO   5          1HD       PRO   5   1.528  13.384  -2.159
   34    HA   PRO   6           HA       PRO   6   3.801  13.180   4.502
   35   1HB   PRO   6          1HB       PRO   6   2.720  11.166   5.876
   36   2HB   PRO   6          1HB       PRO   6   1.691  12.387   5.114
   37   1HG   PRO   6          1HG       PRO   6   2.177   9.576   4.339
   38   2HG   PRO   6          1HG       PRO   6   0.777  10.605   4.024
   39   1HD   PRO   6          1HD       PRO   6   2.952  10.001   2.263
   40   2HD   PRO   6          1HD       PRO   6   1.554  11.049   1.953
   41    H    HIS   7           H        HIS   7   5.640  12.720   5.713
   42    HA   HIS   7           HA       HIS   7   7.731  11.530   5.059
   43   1HB   HIS   7          1HB       HIS   7   6.526  11.147   7.795
   44   2HB   HIS   7          1HB       HIS   7   8.242  11.028   7.424
   45    HD1  HIS   7          1HD       HIS   7   8.173  13.638   5.535
   46    HD2  HIS   7          2HD       HIS   7   6.805  13.343   9.448
   47    HE1  HIS   7          1HE       HIS   7   8.199  15.986   6.437
   48    HE2  HIS   7          2HE       HIS   7   7.255  15.796   8.764
   49    HA   PRO   8           HA       PRO   8   6.783   7.322   4.037
   50   1HB   PRO   8          1HB       PRO   8   9.216   6.734   3.040
   51   2HB   PRO   8          1HB       PRO   8   8.018   7.673   2.160
   52   1HG   PRO   8          1HG       PRO   8  10.340   8.619   3.755
   53   2HG   PRO   8          1HG       PRO   8   9.792   9.174   2.166
   54   1HD   PRO   8          1HD       PRO   8   9.230  10.531   4.445
   55   2HD   PRO   8          1HD       PRO   8   8.108  10.475   3.069
   56    H    GLN   9           H        GLN   9   9.642   8.240   5.860
   57    HA   GLN   9           HA       GLN   9  10.092   5.591   6.805
   58   1HB   GLN   9          1HB       GLN   9  11.158   8.289   7.570
   59   2HB   GLN   9          1HB       GLN   9  11.467   6.899   8.558
   60   1HG   GLN   9          1HG       GLN   9  12.169   6.015   6.096
   61   2HG   GLN   9          1HG       GLN   9  12.656   7.691   6.048
   62   1HE2  GLN   9          1HE2      GLN   9  13.001   4.698   7.815
   63   2HE2  GLN   9          2HE2      GLN   9  14.553   5.053   8.486
   64    H    THR  10           H        THR  10   7.811   8.028   7.369
   65    HA   THR  10           HA       THR  10   7.213   7.129  10.061
   66    HB   THR  10           HB       THR  10   6.639   9.490   8.395
   67    HG1  THR  10          1HG       THR  10   6.544  10.354  10.668
   68   1HG2  THR  10          1HG2      THR  10   4.698   9.601  10.456
   69   2HG2  THR  10          2HG2      THR  10   4.378   8.194   9.447
   70   3HG2  THR  10          3HG2      THR  10   4.488   9.797   8.714
   71    H    ALA  11           H        ALA  11   6.042   7.416   6.763
   72    HA   ALA  11           HA       ALA  11   3.574   6.135   6.972
   73   1HB   ALA  11          1HB       ALA  11   4.600   7.450   5.046
   74   2HB   ALA  11          2HB       ALA  11   3.571   6.059   4.674
   75   3HB   ALA  11          3HB       ALA  11   5.327   5.909   4.577
   76    H    PHE  12           H        PHE  12   6.853   4.893   6.552
   77    HA   PHE  12           HA       PHE  12   6.105   2.162   6.106
   78   1HB   PHE  12          1HB       PHE  12   8.383   3.225   5.599
   79   2HB   PHE  12          1HB       PHE  12   8.700   3.169   7.318
   80    HD1  PHE  12          1HD       PHE  12   7.292   0.718   4.855
   81    HD2  PHE  12          2HD       PHE  12  10.190   1.549   7.854
   82    HE1  PHE  12          1HE       PHE  12   8.178  -1.572   4.636
   83    HE2  PHE  12          2HE       PHE  12  11.080  -0.730   7.639
   84    HZ   PHE  12           HZ       PHE  12  10.076  -2.296   6.030
   85    H    CYS  13           H        CYS  13   7.763   3.702   8.856
   86    HA   CYS  13           HA       CYS  13   7.554   1.780  10.701
   87   1HB   CYS  13          1HB       CYS  13   8.652   4.197  10.416
   88   2HB   CYS  13          1HB       CYS  13   7.399   4.597  11.563
   89    H    ASN  14           H        ASN  14   4.997   4.264   9.976
   90    HA   ASN  14           HA       ASN  14   3.720   3.677  12.449
   91   1HB   ASN  14          1HB       ASN  14   3.683   5.782  10.656
   92   2HB   ASN  14          1HB       ASN  14   2.213   4.918  10.226
   93   1HD2  ASN  14          1HD2      ASN  14   0.625   6.085  11.036
   94   2HD2  ASN  14          2HD2      ASN  14   0.505   6.627  12.672
   95    H    SER  15           H        SER  15   3.457   2.911   8.960
   96    HA   SER  15           HA       SER  15   1.188   1.390   8.995
   97   1HB   SER  15          1HB       SER  15   3.551   1.622   7.236
   98   2HB   SER  15          1HB       SER  15   2.367   0.401   6.911
   99    HG   SER  15           HG       SER  15   0.817   1.988   6.651
  100    H    ASP  16           H        ASP  16   0.846  -0.446   9.463
  101    HA   ASP  16           HA       ASP  16   2.718  -2.307  10.565
  102   1HB   ASP  16          1HB       ASP  16  -0.233  -2.214  10.421
  103   2HB   ASP  16          1HB       ASP  16   0.639  -3.516  11.220
  104    H    LEU  17           H        LEU  17   2.100  -1.739   7.635
  105    HA   LEU  17           HA       LEU  17   2.819  -4.222   6.715
  106   1HB   LEU  17          1HB       LEU  17  -0.076  -3.917   6.858
  107   2HB   LEU  17          1HB       LEU  17   0.515  -4.459   5.290
  108    HG   LEU  17           HG       LEU  17   1.964  -5.929   7.185
  109   1HD1  LEU  17          1HD1      LEU  17  -0.929  -6.218   7.822
  110   2HD1  LEU  17          2HD1      LEU  17   0.119  -5.208   8.777
  111   3HD1  LEU  17          3HD1      LEU  17   0.440  -6.935   8.637
  112   1HD2  LEU  17          1HD2      LEU  17   1.403  -6.729   5.046
  113   2HD2  LEU  17          2HD2      LEU  17  -0.324  -6.622   5.378
  114   3HD2  LEU  17          3HD2      LEU  17   0.670  -7.797   6.231
  115    H    VAL  18           H        VAL  18   3.925  -3.975   4.936
  116    HA   VAL  18           HA       VAL  18   3.121  -1.906   3.033
  117    HB   VAL  18           HB       VAL  18   5.982  -2.272   3.933
  118   1HG1  VAL  18          1HG1      VAL  18   5.920  -1.396   1.750
  119   2HG1  VAL  18          2HG1      VAL  18   6.222  -0.021   2.811
  120   3HG1  VAL  18          3HG1      VAL  18   4.613  -0.283   2.147
  121   1HG2  VAL  18          1HG2      VAL  18   5.743  -0.854   5.631
  122   2HG2  VAL  18          2HG2      VAL  18   4.003  -1.062   5.455
  123   3HG2  VAL  18          3HG2      VAL  18   4.814   0.280   4.655
  124    H    ILE  19           H        ILE  19   3.368  -2.619   0.916
  125    HA   ILE  19           HA       ILE  19   5.151  -4.860   0.400
  126    HB   ILE  19           HB       ILE  19   3.255  -6.127  -0.594
  127   1HG1  ILE  19          1HG1      ILE  19   1.764  -4.076  -0.761
  128   2HG1  ILE  19          1HG1      ILE  19   0.998  -5.570  -0.239
  129   1HG2  ILE  19          1HG2      ILE  19   3.873  -5.845   2.156
  130   2HG2  ILE  19          2HG2      ILE  19   3.399  -7.279   1.264
  131   3HG2  ILE  19          3HG2      ILE  19   2.169  -6.237   1.976
  132   1HD1  ILE  19          1HD1      ILE  19   0.464  -3.340   0.969
  133   2HD1  ILE  19          2HD1      ILE  19   1.983  -3.634   1.806
  134   3HD1  ILE  19          3HD1      ILE  19   0.683  -4.814   1.909
  135    H    ARG  20           H        ARG  20   5.542  -5.204  -1.748
  136    HA   ARG  20           HA       ARG  20   4.725  -3.039  -3.513
  137   1HB   ARG  20          1HB       ARG  20   6.668  -3.311  -4.727
  138   2HB   ARG  20          1HB       ARG  20   7.195  -3.768  -3.121
  139   1HG   ARG  20          1HG       ARG  20   6.224  -6.018  -4.653
  140   2HG   ARG  20          1HG       ARG  20   7.560  -5.187  -5.436
  141   1HD   ARG  20          1HD       ARG  20   8.128  -5.446  -2.662
  142   2HD   ARG  20          1HD       ARG  20   7.622  -6.997  -3.283
  143    HE   ARG  20           HE       ARG  20   9.445  -6.000  -5.103
  144   1HH1  ARG  20          1HH1      ARG  20   9.453  -6.944  -1.741
  145   2HH1  ARG  20          2HH1      ARG  20  11.122  -7.406  -1.748
  146   1HH2  ARG  20          1HH2      ARG  20  11.637  -6.609  -5.111
  147   2HH2  ARG  20          2HH2      ARG  20  12.362  -7.216  -3.659
  148    H    ALA  21           H        ALA  21   3.543  -3.305  -5.158
  149    HA   ALA  21           HA       ALA  21   2.907  -5.920  -6.282
  150   1HB   ALA  21          1HB       ALA  21   0.936  -4.495  -4.575
  151   2HB   ALA  21          2HB       ALA  21   1.436  -6.183  -4.561
  152   3HB   ALA  21          3HB       ALA  21   0.401  -5.583  -5.855
  153    H    LYS  22           H        LYS  22   1.014  -5.896  -7.709
  154    HA   LYS  22           HA       LYS  22   1.022  -3.583  -9.540
  155   1HB   LYS  22          1HB       LYS  22   1.283  -6.481  -9.942
  156   2HB   LYS  22          1HB       LYS  22   0.190  -5.699 -11.062
  157   1HG   LYS  22          1HG       LYS  22   1.903  -4.652 -12.130
  158   2HG   LYS  22          1HG       LYS  22   2.836  -4.445 -10.645
  159   1HD   LYS  22          1HD       LYS  22   2.664  -7.222 -11.144
  160   2HD   LYS  22          1HD       LYS  22   3.100  -6.444 -12.668
  161   1HE   LYS  22          1HE       LYS  22   4.709  -5.128 -10.929
  162   2HE   LYS  22          1HE       LYS  22   4.625  -6.717 -10.170
  163   1HZ   LYS  22          1HZ       LYS  22   6.364  -7.011 -11.590
  164   2HZ   LYS  22          2HZ       LYS  22   5.756  -5.955 -12.762
  165   3HZ   LYS  22          3HZ       LYS  22   5.100  -7.504 -12.599
  166    H    PHE  23           H        PHE  23  -1.021  -3.011 -10.483
  167    HA   PHE  23           HA       PHE  23  -3.314  -3.944  -8.906
  168   1HB   PHE  23          1HB       PHE  23  -3.011  -1.604 -10.800
  169   2HB   PHE  23          1HB       PHE  23  -4.518  -2.032  -9.991
  170    HD1  PHE  23          1HD       PHE  23  -4.901  -1.495  -7.742
  171    HD2  PHE  23          2HD       PHE  23  -1.066  -0.881  -9.471
  172    HE1  PHE  23          1HE       PHE  23  -4.215  -0.224  -5.759
  173    HE2  PHE  23          2HE       PHE  23  -0.371   0.398  -7.490
  174    HZ   PHE  23           HZ       PHE  23  -1.948   0.717  -5.635
  175    H    VAL  24           H        VAL  24  -4.502  -5.384  -9.497
  176    HA   VAL  24           HA       VAL  24  -5.039  -5.800 -12.329
  177    HB   VAL  24           HB       VAL  24  -4.809  -8.179 -11.919
  178   1HG1  VAL  24          1HG1      VAL  24  -2.833  -7.762 -12.814
  179   2HG1  VAL  24          2HG1      VAL  24  -2.202  -7.753 -11.178
  180   3HG1  VAL  24          3HG1      VAL  24  -2.699  -6.249 -11.925
  181   1HG2  VAL  24          1HG2      VAL  24  -3.280  -8.311  -9.602
  182   2HG2  VAL  24          2HG2      VAL  24  -4.873  -9.004  -9.875
  183   3HG2  VAL  24          3HG2      VAL  24  -4.723  -7.386  -9.192
  184    H    GLY  25           H        GLY  25  -6.783  -4.480 -10.587
  185   1HA   GLY  25          2HA       GLY  25  -9.170  -5.911 -10.986
  186   2HA   GLY  25          1HA       GLY  25  -8.729  -6.000  -9.295
  187    H    THR  26           H        THR  26 -11.067  -4.763 -10.037
  188    HA   THR  26           HA       THR  26 -10.480  -1.890  -9.810
  189    HB   THR  26           HB       THR  26 -13.237  -2.333 -10.347
  190    HG1  THR  26          1HG       THR  26 -12.573  -4.398 -11.108
  191   1HG2  THR  26          1HG2      THR  26 -11.756  -0.435 -11.104
  192   2HG2  THR  26          2HG2      THR  26 -12.871  -1.085 -12.304
  193   3HG2  THR  26          3HG2      THR  26 -11.164  -1.523 -12.357
  194    HA   PRO  27           HA       PRO  27 -12.243  -1.796  -5.789
  195   1HB   PRO  27          1HB       PRO  27 -12.892   0.782  -5.512
  196   2HB   PRO  27          1HB       PRO  27 -11.212   0.263  -5.704
  197   1HG   PRO  27          1HG       PRO  27 -13.085   1.412  -7.734
  198   2HG   PRO  27          1HG       PRO  27 -11.367   1.759  -7.476
  199   1HD   PRO  27          1HD       PRO  27 -12.343   0.045  -9.407
  200   2HD   PRO  27          1HD       PRO  27 -10.702  -0.025  -8.740
  201    H    GLU  28           H        GLU  28 -13.920  -2.339  -4.764
  202    HA   GLU  28           HA       GLU  28 -16.548  -1.762  -5.942
  203   1HB   GLU  28          1HB       GLU  28 -15.368  -4.139  -4.766
  204   2HB   GLU  28          1HB       GLU  28 -16.946  -3.762  -4.087
  205   1HG   GLU  28          1HG       GLU  28 -16.586  -5.227  -6.280
  206   2HG   GLU  28          1HG       GLU  28 -18.030  -4.265  -5.973
  207    H    VAL  29           H        VAL  29 -17.898  -0.515  -4.978
  208    HA   VAL  29           HA       VAL  29 -17.228   0.403  -2.289
  209    HB   VAL  29           HB       VAL  29 -19.228   1.714  -4.052
  210   1HG1  VAL  29          1HG1      VAL  29 -19.362   3.099  -2.323
  211   2HG1  VAL  29          2HG1      VAL  29 -17.692   3.574  -2.630
  212   3HG1  VAL  29          3HG1      VAL  29 -18.044   2.270  -1.496
  213   1HG2  VAL  29          1HG2      VAL  29 -17.168   1.399  -5.361
  214   2HG2  VAL  29          2HG2      VAL  29 -16.254   2.204  -4.086
  215   3HG2  VAL  29          3HG2      VAL  29 -17.471   3.098  -4.996
  216    H    ASN  30           H        ASN  30 -18.311  -0.913  -0.701
  217    HA   ASN  30           HA       ASN  30 -21.088  -1.555  -1.037
  218   1HB   ASN  30          1HB       ASN  30 -19.261  -2.485   0.722
  219   2HB   ASN  30          1HB       ASN  30 -20.039  -1.262   1.723
  220   1HD2  ASN  30          1HD2      ASN  30 -21.614  -1.993   2.924
  221   2HD2  ASN  30          2HD2      ASN  30 -22.686  -3.285   2.529
  222    H    GLN  31           H        GLN  31 -22.801  -0.600  -0.008
  223    HA   GLN  31           HA       GLN  31 -22.674   2.294   0.210
  224   1HB   GLN  31          1HB       GLN  31 -25.048   0.515   0.709
  225   2HB   GLN  31          1HB       GLN  31 -25.071   2.211   0.230
  226   1HG   GLN  31          1HG       GLN  31 -23.867   0.159  -1.567
  227   2HG   GLN  31          1HG       GLN  31 -25.617   0.347  -1.492
  228   1HE2  GLN  31          1HE2      GLN  31 -22.624   2.160  -1.986
  229   2HE2  GLN  31          2HE2      GLN  31 -23.291   3.311  -3.088
  230    H    THR  32           H        THR  32 -22.469  -0.428   2.213
  231    HA   THR  32           HA       THR  32 -22.865   1.239   4.586
  232    HB   THR  32           HB       THR  32 -24.092  -1.398   3.815
  233    HG1  THR  32          1HG       THR  32 -25.937  -0.396   4.430
  234   1HG2  THR  32          1HG2      THR  32 -22.945  -1.493   6.188
  235   2HG2  THR  32          2HG2      THR  32 -24.555  -2.142   5.916
  236   3HG2  THR  32          3HG2      THR  32 -24.358  -0.553   6.650
  237    H    THR  33           H        THR  33 -20.416   1.118   3.776
  238    HA   THR  33           HA       THR  33 -19.180  -0.990   5.361
  239    HB   THR  33           HB       THR  33 -18.463  -1.555   3.234
  240    HG1  THR  33          1HG       THR  33 -16.640   0.335   4.085
  241   1HG2  THR  33          1HG2      THR  33 -19.519   0.684   2.247
  242   2HG2  THR  33          2HG2      THR  33 -18.431  -0.345   1.323
  243   3HG2  THR  33          3HG2      THR  33 -17.806   1.076   2.146
  244    H    LEU  34           H        LEU  34 -18.665   2.011   3.600
  245    HA   LEU  34           HA       LEU  34 -17.963   4.062   4.468
  246   1HB   LEU  34          1HB       LEU  34 -17.502   2.417   6.839
  247   2HB   LEU  34          1HB       LEU  34 -16.283   3.593   6.516
  248    HG   LEU  34           HG       LEU  34 -19.217   4.209   6.728
  249   1HD1  LEU  34          1HD1      LEU  34 -17.547   3.430   8.772
  250   2HD1  LEU  34          2HD1      LEU  34 -19.025   4.376   8.949
  251   3HD1  LEU  34          3HD1      LEU  34 -17.465   5.191   8.833
  252   1HD2  LEU  34          1HD2      LEU  34 -17.357   5.657   5.454
  253   2HD2  LEU  34          2HD2      LEU  34 -17.074   6.228   7.103
  254   3HD2  LEU  34          3HD2      LEU  34 -18.672   6.399   6.376
  255    H    TYR  35           H        TYR  35 -16.677   1.197   3.623
  256    HA   TYR  35           HA       TYR  35 -14.286   2.464   2.575
  257   1HB   TYR  35          1HB       TYR  35 -13.046   0.244   3.159
  258   2HB   TYR  35          1HB       TYR  35 -13.146   1.577   4.278
  259    HD1  TYR  35          1HD       TYR  35 -13.913  -1.852   3.722
  260    HD2  TYR  35          2HD       TYR  35 -14.791   1.555   6.086
  261    HE1  TYR  35          1HE       TYR  35 -14.863  -3.313   5.468
  262    HE2  TYR  35          2HE       TYR  35 -15.729   0.143   7.824
  263    HH   TYR  35           HH       TYR  35 -15.582  -2.187   8.602
  264    H    GLN  36           H        GLN  36 -13.096   1.224   1.069
  265    HA   GLN  36           HA       GLN  36 -14.809  -0.507  -0.579
  266   1HB   GLN  36          1HB       GLN  36 -12.965   1.741  -1.367
  267   2HB   GLN  36          1HB       GLN  36 -13.710   0.635  -2.521
  268   1HG   GLN  36          1HG       GLN  36 -15.844   1.487  -2.078
  269   2HG   GLN  36          1HG       GLN  36 -15.291   2.290  -0.612
  270   1HE2  GLN  36          1HE2      GLN  36 -15.301   4.395  -0.865
  271   2HE2  GLN  36          2HE2      GLN  36 -14.836   5.270  -2.267
  272    H    ARG  37           H        ARG  37 -13.061  -1.244  -2.506
  273    HA   ARG  37           HA       ARG  37 -10.528  -1.929  -1.332
  274   1HB   ARG  37          1HB       ARG  37 -10.812  -4.379  -1.650
  275   2HB   ARG  37          1HB       ARG  37 -11.807  -3.701  -0.372
  276   1HG   ARG  37          1HG       ARG  37 -13.727  -3.688  -1.943
  277   2HG   ARG  37          1HG       ARG  37 -12.706  -4.507  -3.128
  278   1HD   ARG  37          1HD       ARG  37 -12.675  -6.473  -1.950
  279   2HD   ARG  37          1HD       ARG  37 -12.916  -5.672  -0.400
  280    HE   ARG  37           HE       ARG  37 -15.064  -6.029  -2.392
  281   1HH1  ARG  37          1HH1      ARG  37 -13.954  -6.017   0.925
  282   2HH1  ARG  37          2HH1      ARG  37 -15.506  -6.415   1.573
  283   1HH2  ARG  37          1HH2      ARG  37 -17.100  -6.547  -1.528
  284   2HH2  ARG  37          2HH2      ARG  37 -17.287  -6.714   0.186
  285    H    TYR  38           H        TYR  38  -9.040  -2.797  -2.742
  286    HA   TYR  38           HA       TYR  38  -9.705  -2.705  -5.638
  287   1HB   TYR  38          1HB       TYR  38  -7.274  -1.537  -4.258
  288   2HB   TYR  38          1HB       TYR  38  -7.217  -2.007  -5.937
  289    HD1  TYR  38          1HD       TYR  38  -8.296  -0.636  -7.645
  290    HD2  TYR  38          2HD       TYR  38  -8.503   0.470  -3.542
  291    HE1  TYR  38          1HE       TYR  38  -8.992   1.622  -8.292
  292    HE2  TYR  38          2HE       TYR  38  -9.210   2.731  -4.188
  293    HH   TYR  38           HH       TYR  38  -9.041   3.860  -7.413
  294    H    GLU  39           H        GLU  39  -8.539  -4.331  -6.904
  295    HA   GLU  39           HA       GLU  39  -7.300  -6.419  -5.259
  296   1HB   GLU  39          1HB       GLU  39  -8.263  -6.546  -8.121
  297   2HB   GLU  39          1HB       GLU  39  -7.688  -7.898  -7.172
  298   1HG   GLU  39          1HG       GLU  39  -9.844  -8.276  -6.795
  299   2HG   GLU  39          1HG       GLU  39  -9.706  -6.979  -5.612
  300    H    ILE  40           H        ILE  40  -5.138  -7.034  -5.648
  301    HA   ILE  40           HA       ILE  40  -3.838  -5.730  -7.923
  302    HB   ILE  40           HB       ILE  40  -1.983  -4.965  -6.413
  303   1HG1  ILE  40          1HG1      ILE  40  -4.023  -5.315  -4.219
  304   2HG1  ILE  40          1HG1      ILE  40  -2.730  -6.473  -4.518
  305   1HG2  ILE  40          1HG2      ILE  40  -4.003  -3.304  -5.328
  306   2HG2  ILE  40          2HG2      ILE  40  -4.499  -3.776  -6.951
  307   3HG2  ILE  40          3HG2      ILE  40  -2.941  -2.997  -6.699
  308   1HD1  ILE  40          1HD1      ILE  40  -2.529  -3.643  -3.569
  309   2HD1  ILE  40          2HD1      ILE  40  -1.146  -4.489  -4.265
  310   3HD1  ILE  40          3HD1      ILE  40  -1.924  -5.116  -2.811
  311    H    LYS  41           H        LYS  41  -2.270  -6.821  -8.807
  312    HA   LYS  41           HA       LYS  41  -1.700  -9.458  -8.042
  313   1HB   LYS  41          1HB       LYS  41  -1.600  -8.493 -10.366
  314   2HB   LYS  41          1HB       LYS  41  -0.036  -7.833  -9.941
  315   1HG   LYS  41          1HG       LYS  41   0.421  -9.801 -11.100
  316   2HG   LYS  41          1HG       LYS  41   0.628 -10.232  -9.401
  317   1HD   LYS  41          1HD       LYS  41  -2.068 -10.598 -10.579
  318   2HD   LYS  41          1HD       LYS  41  -0.802 -11.711 -11.102
  319   1HE   LYS  41          1HE       LYS  41  -1.082 -11.183  -8.194
  320   2HE   LYS  41          1HE       LYS  41  -2.303 -12.189  -8.970
  321   1HZ   LYS  41          1HZ       LYS  41   0.464 -12.826  -9.585
  322   2HZ   LYS  41          2HZ       LYS  41  -0.846 -13.856  -9.295
  323   3HZ   LYS  41          3HZ       LYS  41  -0.030 -13.140  -7.997
  324    H    MET  42           H        MET  42  -0.967  -9.207  -5.875
  325    HA   MET  42           HA       MET  42   0.998  -7.768  -4.773
  326   1HB   MET  42          1HB       MET  42  -0.524  -9.721  -3.903
  327   2HB   MET  42          1HB       MET  42   0.904 -10.699  -4.204
  328   1HG   MET  42          1HG       MET  42   0.850  -8.257  -2.464
  329   2HG   MET  42          1HG       MET  42   0.690  -9.912  -1.877
  330   1HE   MET  42          1HE       MET  42   4.281  -7.717  -1.711
  331   2HE   MET  42          2HE       MET  42   2.609  -7.516  -1.224
  332   3HE   MET  42          3HE       MET  42   3.108  -7.085  -2.854
  333    H    THR  43           H        THR  43   3.254  -7.537  -4.960
  334    HA   THR  43           HA       THR  43   4.534  -9.482  -6.682
  335    HB   THR  43           HB       THR  43   5.637  -6.858  -5.694
  336    HG1  THR  43          1HG       THR  43   4.047  -6.196  -6.938
  337   1HG2  THR  43          1HG2      THR  43   6.484  -7.804  -8.296
  338   2HG2  THR  43          2HG2      THR  43   6.962  -8.883  -6.985
  339   3HG2  THR  43          3HG2      THR  43   7.438  -7.186  -6.949
  340    H    LYS  44           H        LYS  44   5.528  -7.607  -3.743
  341    HA   LYS  44           HA       LYS  44   6.163  -9.992  -2.296
  342   1HB   LYS  44          1HB       LYS  44   8.339  -8.334  -3.491
  343   2HB   LYS  44          1HB       LYS  44   8.577  -8.981  -1.877
  344   1HG   LYS  44          1HG       LYS  44   8.211 -11.232  -2.740
  345   2HG   LYS  44          1HG       LYS  44   7.968 -10.566  -4.357
  346   1HD   LYS  44          1HD       LYS  44  10.460  -9.878  -2.878
  347   2HD   LYS  44          1HD       LYS  44  10.321 -11.480  -3.608
  348   1HE   LYS  44          1HE       LYS  44   9.864  -8.900  -5.099
  349   2HE   LYS  44          1HE       LYS  44  11.408  -9.750  -5.058
  350   1HZ   LYS  44          1HZ       LYS  44   8.881 -10.980  -6.010
  351   2HZ   LYS  44          2HZ       LYS  44  10.444 -11.611  -6.146
  352   3HZ   LYS  44          3HZ       LYS  44  10.007 -10.239  -7.033
  353    H    MET  45           H        MET  45   6.513  -9.552  -0.035
  354    HA   MET  45           HA       MET  45   5.321  -7.039   0.859
  355   1HB   MET  45          1HB       MET  45   4.751  -9.390   1.744
  356   2HB   MET  45          1HB       MET  45   6.285  -9.328   2.580
  357   1HG   MET  45          1HG       MET  45   5.569  -7.609   3.991
  358   2HG   MET  45          1HG       MET  45   4.171  -7.256   2.996
  359   1HE   MET  45          1HE       MET  45   1.757  -8.028   4.559
  360   2HE   MET  45          2HE       MET  45   1.553  -9.569   3.773
  361   3HE   MET  45          3HE       MET  45   2.214  -8.208   2.878
  362    H    TYR  46           H        TYR  46   6.403  -5.412   1.973
  363    HA   TYR  46           HA       TYR  46   9.284  -5.799   2.430
  364   1HB   TYR  46          1HB       TYR  46   7.635  -3.429   1.608
  365   2HB   TYR  46          1HB       TYR  46   9.121  -3.166   2.510
  366    HD1  TYR  46          1HD       TYR  46  11.288  -4.084   1.518
  367    HD2  TYR  46          2HD       TYR  46   7.697  -3.760  -0.724
  368    HE1  TYR  46          1HE       TYR  46  12.584  -4.209  -0.558
  369    HE2  TYR  46          2HE       TYR  46   8.998  -3.881  -2.812
  370    HH   TYR  46           HH       TYR  46  11.530  -3.335  -3.455
  371    H    LYS  47           H        LYS  47   6.650  -6.183   4.085
  372    HA   LYS  47           HA       LYS  47   7.577  -6.001   6.606
  373   1HB   LYS  47          1HB       LYS  47   7.237  -3.392   5.782
  374   2HB   LYS  47          1HB       LYS  47   5.731  -3.726   6.628
  375   1HG   LYS  47          1HG       LYS  47   6.918  -4.344   8.620
  376   2HG   LYS  47          1HG       LYS  47   8.466  -4.200   7.785
  377   1HD   LYS  47          1HD       LYS  47   8.298  -2.199   8.961
  378   2HD   LYS  47          1HD       LYS  47   7.750  -1.771   7.344
  379   1HE   LYS  47          1HE       LYS  47   6.292  -0.804   9.025
  380   2HE   LYS  47          1HE       LYS  47   5.431  -1.997   8.053
  381   1HZ   LYS  47          1HZ       LYS  47   5.424  -1.933  10.730
  382   2HZ   LYS  47          2HZ       LYS  47   6.665  -3.047  10.447
  383   3HZ   LYS  47          3HZ       LYS  47   5.121  -3.322   9.813
  384    H    GLY  48           H        GLY  48   6.230  -7.472   7.580
  385   1HA   GLY  48          2HA       GLY  48   3.740  -7.523   8.326
  386   2HA   GLY  48          1HA       GLY  48   3.461  -7.639   6.594
  387    H    PHE  49           H        PHE  49   6.208  -9.235   6.799
  388    HA   PHE  49           HA       PHE  49   5.281 -11.735   6.303
  389   1HB   PHE  49          1HB       PHE  49   7.770 -11.308   7.914
  390   2HB   PHE  49          1HB       PHE  49   7.432 -12.603   6.778
  391    HD1  PHE  49          1HD       PHE  49   8.299  -9.046   7.110
  392    HD2  PHE  49          2HD       PHE  49   7.803 -12.323   4.439
  393    HE1  PHE  49          1HE       PHE  49   9.443  -7.773   5.345
  394    HE2  PHE  49          2HE       PHE  49   8.945 -11.053   2.667
  395    HZ   PHE  49           HZ       PHE  49   9.769  -8.777   3.120
  396    H    GLN  50           H        GLN  50   5.931 -10.375   9.560
  397    HA   GLN  50           HA       GLN  50   5.432 -12.811  10.861
  398   1HB   GLN  50          1HB       GLN  50   6.338 -10.291  11.613
  399   2HB   GLN  50          1HB       GLN  50   4.839 -10.508  12.515
  400   1HG   GLN  50          1HG       GLN  50   5.709 -12.095  13.821
  401   2HG   GLN  50          1HG       GLN  50   6.556 -12.863  12.480
  402   1HE2  GLN  50          1HE2      GLN  50   6.791 -10.714  15.140
  403   2HE2  GLN  50          2HE2      GLN  50   8.480 -10.374  15.005
  404    H    ALA  51           H        ALA  51   3.332 -10.300   9.683
  405    HA   ALA  51           HA       ALA  51   1.004 -11.314  11.084
  406   1HB   ALA  51          1HB       ALA  51   0.862  -9.650   8.599
  407   2HB   ALA  51          2HB       ALA  51   1.430  -8.899  10.090
  408   3HB   ALA  51          3HB       ALA  51  -0.185  -9.605  10.016
  409    H    LEU  52           H        LEU  52   2.334 -11.322   7.689
  410    HA   LEU  52           HA       LEU  52   1.088 -13.917   7.405
  411   1HB   LEU  52          1HB       LEU  52   0.185 -12.444   5.187
  412   2HB   LEU  52          1HB       LEU  52  -0.756 -13.206   6.455
  413    HG   LEU  52           HG       LEU  52  -0.288 -11.063   7.816
  414   1HD1  LEU  52          1HD1      LEU  52   0.271 -10.030   5.057
  415   2HD1  LEU  52          2HD1      LEU  52   1.467 -10.229   6.342
  416   3HD1  LEU  52          3HD1      LEU  52   0.141  -9.086   6.535
  417   1HD2  LEU  52          1HD2      LEU  52  -2.338 -11.721   5.978
  418   2HD2  LEU  52          2HD2      LEU  52  -2.020  -9.995   5.845
  419   3HD2  LEU  52          3HD2      LEU  52  -2.424 -10.700   7.409
  420    H    GLY  53           H        GLY  53   2.957 -14.689   7.147
  421   1HA   GLY  53          2HA       GLY  53   5.164 -14.562   5.966
  422   2HA   GLY  53          1HA       GLY  53   4.157 -15.910   5.497
  423    H    ASP  54           H        ASP  54   3.389 -16.061   3.487
  424    HA   ASP  54           HA       ASP  54   4.054 -13.915   1.598
  425   1HB   ASP  54          1HB       ASP  54   4.604 -15.686  -0.078
  426   2HB   ASP  54          1HB       ASP  54   5.715 -15.632   1.288
  427    H    ALA  55           H        ALA  55   1.838 -16.428   2.553
  428    HA   ALA  55           HA       ALA  55   0.198 -16.383   0.231
  429   1HB   ALA  55          1HB       ALA  55   0.095 -18.297   1.627
  430   2HB   ALA  55          2HB       ALA  55  -1.477 -17.504   1.732
  431   3HB   ALA  55          3HB       ALA  55  -0.309 -17.326   3.041
  432    H    ALA  56           H        ALA  56  -0.494 -15.156   3.494
  433    HA   ALA  56           HA       ALA  56  -2.522 -13.332   2.408
  434   1HB   ALA  56          1HB       ALA  56  -3.525 -13.491   4.393
  435   2HB   ALA  56          2HB       ALA  56  -2.031 -13.156   5.255
  436   3HB   ALA  56          3HB       ALA  56  -2.397 -14.799   4.748
  437    H    ASP  57           H        ASP  57   0.158 -12.949   1.691
  438    HA   ASP  57           HA       ASP  57   1.367 -10.915   3.134
  439   1HB   ASP  57          1HB       ASP  57   2.547 -12.004   1.362
  440   2HB   ASP  57          1HB       ASP  57   1.316 -11.563   0.182
  441    H    ILE  58           H        ILE  58   0.133  -9.817   0.000
  442    HA   ILE  58           HA       ILE  58  -2.204  -8.698   1.127
  443    HB   ILE  58           HB       ILE  58   0.207  -7.032   1.173
  444   1HG1  ILE  58          1HG1      ILE  58  -1.046  -7.993   3.100
  445   2HG1  ILE  58          1HG1      ILE  58  -0.940  -6.224   3.159
  446   1HG2  ILE  58          1HG2      ILE  58  -1.102  -4.954   0.912
  447   2HG2  ILE  58          2HG2      ILE  58  -2.476  -5.907   0.359
  448   3HG2  ILE  58          3HG2      ILE  58  -0.990  -5.865  -0.589
  449   1HD1  ILE  58          1HD1      ILE  58  -3.250  -8.011   2.722
  450   2HD1  ILE  58          2HD1      ILE  58  -3.249  -6.453   1.894
  451   3HD1  ILE  58          3HD1      ILE  58  -3.129  -6.521   3.651
  452    H    ARG  59           H        ARG  59  -3.515  -9.175  -0.494
  453    HA   ARG  59           HA       ARG  59  -2.639  -8.387  -3.169
  454   1HB   ARG  59          1HB       ARG  59  -4.826 -10.348  -2.641
  455   2HB   ARG  59          1HB       ARG  59  -3.789 -10.193  -4.051
  456   1HG   ARG  59          1HG       ARG  59  -1.876 -10.870  -2.514
  457   2HG   ARG  59          1HG       ARG  59  -3.128 -11.347  -1.365
  458   1HD   ARG  59          1HD       ARG  59  -2.856 -12.365  -4.190
  459   2HD   ARG  59          1HD       ARG  59  -2.364 -13.231  -2.738
  460    HE   ARG  59           HE       ARG  59  -5.168 -12.444  -3.178
  461   1HH1  ARG  59          1HH1      ARG  59  -2.768 -14.893  -2.487
  462   2HH1  ARG  59          2HH1      ARG  59  -3.942 -16.126  -2.181
  463   1HH2  ARG  59          1HH2      ARG  59  -6.703 -14.074  -2.779
  464   2HH2  ARG  59          2HH2      ARG  59  -6.169 -15.665  -2.348
  465    H    PHE  60           H        PHE  60  -5.048  -7.670  -0.878
  466    HA   PHE  60           HA       PHE  60  -6.514  -6.012  -2.766
  467   1HB   PHE  60          1HB       PHE  60  -7.722  -7.666  -0.529
  468   2HB   PHE  60          1HB       PHE  60  -8.599  -6.577  -1.596
  469    HD1  PHE  60          1HD       PHE  60  -6.871  -9.808  -1.354
  470    HD2  PHE  60          2HD       PHE  60  -9.212  -7.234  -3.797
  471    HE1  PHE  60          1HE       PHE  60  -7.290 -11.671  -2.906
  472    HE2  PHE  60          2HE       PHE  60  -9.635  -9.089  -5.348
  473    HZ   PHE  60           HZ       PHE  60  -8.676 -11.312  -4.910
  474    H    VAL  61           H        VAL  61  -6.963  -4.120  -2.113
  475    HA   VAL  61           HA       VAL  61  -5.860  -3.280   0.471
  476    HB   VAL  61           HB       VAL  61  -5.088  -1.414  -0.548
  477   1HG1  VAL  61          1HG1      VAL  61  -5.124  -3.108  -2.965
  478   2HG1  VAL  61          2HG1      VAL  61  -4.150  -3.490  -1.545
  479   3HG1  VAL  61          3HG1      VAL  61  -3.880  -1.984  -2.422
  480   1HG2  VAL  61          1HG2      VAL  61  -6.888  -0.280  -1.402
  481   2HG2  VAL  61          2HG2      VAL  61  -7.383  -1.648  -2.395
  482   3HG2  VAL  61          3HG2      VAL  61  -5.986  -0.678  -2.865
  483    H    TYR  62           H        TYR  62  -7.232  -2.493   1.957
  484    HA   TYR  62           HA       TYR  62  -9.846  -1.571   1.065
  485   1HB   TYR  62          1HB       TYR  62  -9.065  -2.698   3.746
  486   2HB   TYR  62          1HB       TYR  62 -10.693  -2.254   3.242
  487    HD1  TYR  62          1HD       TYR  62 -12.049  -3.975   2.584
  488    HD2  TYR  62          2HD       TYR  62  -7.858  -4.352   1.930
  489    HE1  TYR  62          1HE       TYR  62 -12.391  -6.215   1.638
  490    HE2  TYR  62          2HE       TYR  62  -8.196  -6.584   0.997
  491    HH   TYR  62           HH       TYR  62  -9.772  -8.356   0.964
  492    H    THR  63           H        THR  63 -10.068   0.453   0.987
  493    HA   THR  63           HA       THR  63  -9.090   2.230   3.154
  494    HB   THR  63           HB       THR  63  -8.090   3.296   1.352
  495    HG1  THR  63          1HG       THR  63  -9.659   4.731   2.035
  496   1HG2  THR  63          1HG2      THR  63 -10.290   2.667  -0.569
  497   2HG2  THR  63          2HG2      THR  63  -9.010   1.489  -0.254
  498   3HG2  THR  63          3HG2      THR  63  -8.605   3.079  -0.893
  499    HA   PRO  64           HA       PRO  64 -13.311   3.269   4.119
  500   1HB   PRO  64          1HB       PRO  64 -12.820   6.132   4.116
  501   2HB   PRO  64          1HB       PRO  64 -13.160   5.064   5.472
  502   1HG   PRO  64          1HG       PRO  64 -10.719   6.264   4.886
  503   2HG   PRO  64          1HG       PRO  64 -10.980   4.933   6.019
  504   1HD   PRO  64          1HD       PRO  64  -9.726   4.916   3.394
  505   2HD   PRO  64          1HD       PRO  64  -9.693   3.679   4.656
  506    H    ALA  65           H        ALA  65 -15.122   3.888   3.170
  507    HA   ALA  65           HA       ALA  65 -15.074   4.949   0.495
  508   1HB   ALA  65          1HB       ALA  65 -17.592   3.890   0.860
  509   2HB   ALA  65          2HB       ALA  65 -16.539   2.809   1.762
  510   3HB   ALA  65          3HB       ALA  65 -16.241   3.107   0.061
  511    H    MET  66           H        MET  66 -14.910   7.047   2.041
  512    HA   MET  66           HA       MET  66 -17.648   7.989   2.538
  513   1HB   MET  66          1HB       MET  66 -14.992   9.039   3.515
  514   2HB   MET  66          1HB       MET  66 -16.530   9.832   3.812
  515   1HG   MET  66          1HG       MET  66 -17.241   7.590   4.845
  516   2HG   MET  66          1HG       MET  66 -15.515   7.233   4.879
  517   1HE   MET  66          1HE       MET  66 -14.574  10.799   6.448
  518   2HE   MET  66          2HE       MET  66 -14.234   9.702   5.111
  519   3HE   MET  66          3HE       MET  66 -13.751   9.268   6.749
  520    H    GLU  67           H        GLU  67 -18.067  10.305   2.008
  521    HA   GLU  67           HA       GLU  67 -17.596  10.790  -0.725
  522   1HB   GLU  67          1HB       GLU  67 -18.741  12.414   1.523
  523   2HB   GLU  67          1HB       GLU  67 -18.461  13.160  -0.045
  524   1HG   GLU  67          1HG       GLU  67 -19.865  11.378  -1.067
  525   2HG   GLU  67          1HG       GLU  67 -20.238  10.808   0.559
  526    H    SER  68           H        SER  68 -15.738  11.402  -1.630
  527    HA   SER  68           HA       SER  68 -13.732  12.428  -1.988
  528   1HB   SER  68          1HB       SER  68 -14.549  14.417   0.138
  529   2HB   SER  68          1HB       SER  68 -13.427  14.668  -1.199
  530    HG   SER  68           HG       SER  68 -15.219  15.507  -2.011
  531    H    VAL  69           H        VAL  69 -13.901  10.314  -0.183
  532    HA   VAL  69           HA       VAL  69 -12.367  10.876   2.172
  533    HB   VAL  69           HB       VAL  69 -14.135   9.103   1.944
  534   1HG1  VAL  69          1HG1      VAL  69 -13.922   7.834   0.118
  535   2HG1  VAL  69          2HG1      VAL  69 -12.881   6.869   1.156
  536   3HG1  VAL  69          3HG1      VAL  69 -12.175   8.032   0.045
  537   1HG2  VAL  69          1HG2      VAL  69 -11.728   7.673   2.882
  538   2HG2  VAL  69          2HG2      VAL  69 -13.275   7.951   3.683
  539   3HG2  VAL  69          3HG2      VAL  69 -12.071   9.236   3.626
  540    H    CYS  70           H        CYS  70 -10.428   9.189   2.534
  541    HA   CYS  70           HA       CYS  70  -8.550   9.792   0.388
  542   1HB   CYS  70          1HB       CYS  70  -6.919   8.808   2.232
  543   2HB   CYS  70          1HB       CYS  70  -7.464  10.472   2.286
  544    H    GLY  71           H        GLY  71 -10.438   7.793   0.032
  545   1HA   GLY  71          2HA       GLY  71  -9.992   5.220   0.292
  546   2HA   GLY  71          1HA       GLY  71 -10.409   5.884  -1.267
  547    H    TYR  72           H        TYR  72  -9.022   5.757  -2.841
  548    HA   TYR  72           HA       TYR  72  -6.227   5.671  -2.552
  549   1HB   TYR  72          1HB       TYR  72  -6.823   3.379  -1.759
  550   2HB   TYR  72          1HB       TYR  72  -7.438   3.046  -3.379
  551    HD1  TYR  72          1HD       TYR  72  -4.390   4.262  -1.632
  552    HD2  TYR  72          2HD       TYR  72  -6.005   2.210  -4.981
  553    HE1  TYR  72          1HE       TYR  72  -2.122   3.714  -2.381
  554    HE2  TYR  72          2HE       TYR  72  -3.750   1.668  -5.742
  555    HH   TYR  72           HH       TYR  72  -1.246   1.506  -4.149
  556    H    PHE  73           H        PHE  73  -6.509   7.329  -4.096
  557    HA   PHE  73           HA       PHE  73  -7.762   6.854  -6.567
  558   1HB   PHE  73          1HB       PHE  73  -6.087   8.993  -5.418
  559   2HB   PHE  73          1HB       PHE  73  -6.075   8.882  -7.174
  560    HD1  PHE  73          1HD       PHE  73  -8.319   9.213  -4.242
  561    HD2  PHE  73          2HD       PHE  73  -7.860   9.720  -8.444
  562    HE1  PHE  73          1HE       PHE  73 -10.461  10.421  -4.327
  563    HE2  PHE  73          2HE       PHE  73 -10.001  10.930  -8.535
  564    HZ   PHE  73           HZ       PHE  73 -11.304  11.282  -6.475
  565    H    HIS  74           H        HIS  74  -7.026   4.908  -7.261
  566    HA   HIS  74           HA       HIS  74  -4.234   4.662  -8.036
  567   1HB   HIS  74          1HB       HIS  74  -5.017   2.678  -7.140
  568   2HB   HIS  74          1HB       HIS  74  -6.580   2.808  -7.928
  569    HD1  HIS  74          1HD       HIS  74  -6.780   0.891  -9.487
  570    HD2  HIS  74          2HD       HIS  74  -2.947   2.496  -9.517
  571    HE1  HIS  74          1HE       HIS  74  -5.510  -0.432 -11.207
  572    HE2  HIS  74          2HE       HIS  74  -3.218   0.611 -11.266
  573    H    ARG  75           H        ARG  75  -3.658   5.747  -9.784
  574    HA   ARG  75           HA       ARG  75  -5.396   5.647 -12.162
  575   1HB   ARG  75          1HB       ARG  75  -3.364   7.726 -11.330
  576   2HB   ARG  75          1HB       ARG  75  -4.244   7.744 -12.852
  577   1HG   ARG  75          1HG       ARG  75  -5.959   7.539 -10.493
  578   2HG   ARG  75          1HG       ARG  75  -5.003   9.021 -10.566
  579   1HD   ARG  75          1HD       ARG  75  -5.949   8.685 -13.154
  580   2HD   ARG  75          1HD       ARG  75  -7.307   8.217 -12.130
  581    HE   ARG  75           HE       ARG  75  -7.563  10.408 -11.544
  582   1HH1  ARG  75          1HH1      ARG  75  -4.361   9.988 -12.869
  583   2HH1  ARG  75          2HH1      ARG  75  -4.005  11.683 -12.872
  584   1HH2  ARG  75          1HH2      ARG  75  -7.096  12.638 -11.549
  585   2HH2  ARG  75          2HH2      ARG  75  -5.556  13.187 -12.123
  586    H    SER  76           H        SER  76  -3.999   3.432 -12.080
  587    HA   SER  76           HA       SER  76  -1.658   3.930 -13.796
  588   1HB   SER  76          1HB       SER  76  -1.992   2.151 -11.464
  589   2HB   SER  76          1HB       SER  76  -1.168   1.429 -12.844
  590    HG   SER  76           HG       SER  76  -0.290   3.291 -11.086
  591    H    HIS  77           H        HIS  77  -1.870   3.272 -15.807
  592    HA   HIS  77           HA       HIS  77  -4.051   1.619 -16.681
  593   1HB   HIS  77          1HB       HIS  77  -2.840   1.804 -18.920
  594   2HB   HIS  77          1HB       HIS  77  -3.342   3.328 -18.193
  595    HD1  HIS  77          1HD       HIS  77  -0.327   1.378 -19.170
  596    HD2  HIS  77          2HD       HIS  77  -1.218   4.953 -17.248
  597    HE1  HIS  77          1HE       HIS  77   1.847   2.636 -19.046
  598    HE2  HIS  77          2HE       HIS  77   1.305   4.736 -17.766
  599    H    ASN  78           H        ASN  78  -0.565   1.331 -16.662
  600    HA   ASN  78           HA       ASN  78  -0.415  -1.323 -17.560
  601   1HB   ASN  78          1HB       ASN  78   1.409   0.579 -17.274
  602   2HB   ASN  78          1HB       ASN  78   1.702  -0.253 -15.755
  603   1HD2  ASN  78          1HD2      ASN  78   1.935  -0.402 -19.193
  604   2HD2  ASN  78          2HD2      ASN  78   2.890  -1.839 -19.279
  605    H    ARG  79           H        ARG  79  -1.401  -2.987 -16.518
  606    HA   ARG  79           HA       ARG  79  -1.635  -3.065 -13.659
  607   1HB   ARG  79          1HB       ARG  79  -2.561  -5.419 -14.180
  608   2HB   ARG  79          1HB       ARG  79  -3.472  -4.021 -14.727
  609   1HG   ARG  79          1HG       ARG  79  -2.879  -4.349 -16.954
  610   2HG   ARG  79          1HG       ARG  79  -1.530  -5.407 -16.536
  611   1HD   ARG  79          1HD       ARG  79  -3.542  -6.571 -17.472
  612   2HD   ARG  79          1HD       ARG  79  -2.996  -7.168 -15.908
  613    HE   ARG  79           HE       ARG  79  -4.826  -5.699 -14.969
  614   1HH1  ARG  79          1HH1      ARG  79  -5.045  -7.105 -18.167
  615   2HH1  ARG  79          2HH1      ARG  79  -6.774  -7.122 -18.169
  616   1HH2  ARG  79          1HH2      ARG  79  -7.099  -5.735 -14.982
  617   2HH2  ARG  79          2HH2      ARG  79  -7.939  -6.349 -16.367
  618    H    SER  80           H        SER  80   0.713  -3.877 -15.859
  619    HA   SER  80           HA       SER  80   2.016  -5.960 -14.251
  620   1HB   SER  80          1HB       SER  80   3.034  -4.626 -16.775
  621   2HB   SER  80          1HB       SER  80   3.552  -6.170 -16.101
  622    HG   SER  80           HG       SER  80   1.721  -7.102 -16.799
  623    H    GLU  81           H        GLU  81   1.771  -2.648 -14.048
  624    HA   GLU  81           HA       GLU  81   4.605  -2.224 -13.623
  625   1HB   GLU  81          1HB       GLU  81   2.952  -0.438 -14.475
  626   2HB   GLU  81          1HB       GLU  81   2.500  -0.260 -12.785
  627   1HG   GLU  81          1HG       GLU  81   4.124   1.363 -13.065
  628   2HG   GLU  81          1HG       GLU  81   5.026   0.018 -12.369
  629    H    GLU  82           H        GLU  82   5.631  -2.553 -11.795
  630    HA   GLU  82           HA       GLU  82   4.380  -3.658  -9.517
  631   1HB   GLU  82          1HB       GLU  82   6.886  -3.779 -10.425
  632   2HB   GLU  82          1HB       GLU  82   7.104  -2.458  -9.284
  633   1HG   GLU  82          1HG       GLU  82   5.937  -4.056  -7.606
  634   2HG   GLU  82          1HG       GLU  82   6.375  -5.308  -8.765
  635    H    PHE  83           H        PHE  83   4.865  -2.604  -7.213
  636    HA   PHE  83           HA       PHE  83   4.787   0.249  -7.225
  637   1HB   PHE  83          1HB       PHE  83   2.274  -1.270  -6.965
  638   2HB   PHE  83          1HB       PHE  83   2.522   0.006  -5.784
  639    HD1  PHE  83          1HD       PHE  83   1.630  -0.752  -9.196
  640    HD2  PHE  83          2HD       PHE  83   2.978   2.307  -6.569
  641    HE1  PHE  83          1HE       PHE  83   0.927   0.955 -10.821
  642    HE2  PHE  83          2HE       PHE  83   2.273   4.013  -8.185
  643    HZ   PHE  83           HZ       PHE  83   1.256   3.343 -10.312
  644    H    LEU  84           H        LEU  84   4.139   1.052  -5.013
  645    HA   LEU  84           HA       LEU  84   5.377  -0.617  -2.913
  646   1HB   LEU  84          1HB       LEU  84   6.958   1.124  -3.610
  647   2HB   LEU  84          1HB       LEU  84   5.757   2.360  -3.315
  648    HG   LEU  84           HG       LEU  84   7.595   2.069  -1.586
  649   1HD1  LEU  84          1HD1      LEU  84   4.685   2.118  -0.881
  650   2HD1  LEU  84          2HD1      LEU  84   5.801   3.465  -1.045
  651   3HD1  LEU  84          3HD1      LEU  84   5.955   2.356   0.315
  652   1HD2  LEU  84          1HD2      LEU  84   7.571  -0.354  -1.441
  653   2HD2  LEU  84          2HD2      LEU  84   5.914  -0.313  -0.837
  654   3HD2  LEU  84          3HD2      LEU  84   7.223   0.377   0.126
  655    H    ILE  85           H        ILE  85   4.017  -0.987  -1.267
  656    HA   ILE  85           HA       ILE  85   1.859   0.988  -0.832
  657    HB   ILE  85           HB       ILE  85   1.651  -2.029  -0.752
  658   1HG1  ILE  85          1HG1      ILE  85   0.227  -0.020  -2.514
  659   2HG1  ILE  85          1HG1      ILE  85   1.708  -0.847  -2.987
  660   1HG2  ILE  85          1HG2      ILE  85  -0.636  -1.799  -0.124
  661   2HG2  ILE  85          2HG2      ILE  85  -0.587  -0.047  -0.316
  662   3HG2  ILE  85          3HG2      ILE  85   0.287  -0.813   1.009
  663   1HD1  ILE  85          1HD1      ILE  85  -1.050  -1.807  -2.917
  664   2HD1  ILE  85          2HD1      ILE  85   0.137  -2.936  -2.262
  665   3HD1  ILE  85          3HD1      ILE  85   0.315  -2.325  -3.906
  666    H    ALA  86           H        ALA  86   2.125   1.922   0.973
  667    HA   ALA  86           HA       ALA  86   3.111   0.532   3.420
  668   1HB   ALA  86          1HB       ALA  86   3.627   2.620   4.401
  669   2HB   ALA  86          2HB       ALA  86   2.651   3.507   3.228
  670   3HB   ALA  86          3HB       ALA  86   4.174   2.767   2.730
  671    H    GLY  87           H        GLY  87   1.522  -0.257   4.657
  672   1HA   GLY  87          2HA       GLY  87  -0.697   1.286   5.563
  673   2HA   GLY  87          1HA       GLY  87  -1.220   0.128   4.354
  674    H    LYS  88           H        LYS  88  -1.796   0.365   7.296
  675    HA   LYS  88           HA       LYS  88  -0.597  -1.947   8.530
  676   1HB   LYS  88          1HB       LYS  88  -2.876  -0.189   9.458
  677   2HB   LYS  88          1HB       LYS  88  -2.101  -1.430  10.426
  678   1HG   LYS  88          1HG       LYS  88  -0.182  -0.204  10.691
  679   2HG   LYS  88          1HG       LYS  88  -0.462   0.746   9.238
  680   1HD   LYS  88          1HD       LYS  88  -2.492   1.087  11.309
  681   2HD   LYS  88          1HD       LYS  88  -0.865   1.585  11.788
  682   1HE   LYS  88          1HE       LYS  88  -0.706   3.154  10.063
  683   2HE   LYS  88          1HE       LYS  88  -2.037   2.431   9.162
  684   1HZ   LYS  88          1HZ       LYS  88  -3.426   3.126  11.194
  685   2HZ   LYS  88          2HZ       LYS  88  -2.978   4.310  10.072
  686   3HZ   LYS  88          3HZ       LYS  88  -2.140   4.173  11.535
  687    H    LEU  89           H        LEU  89  -2.289  -3.531   9.683
  688    HA   LEU  89           HA       LEU  89  -4.215  -4.312   7.576
  689   1HB   LEU  89          1HB       LEU  89  -2.370  -5.913   9.246
  690   2HB   LEU  89          1HB       LEU  89  -3.960  -6.596   8.982
  691    HG   LEU  89           HG       LEU  89  -1.928  -5.888   6.866
  692   1HD1  LEU  89          1HD1      LEU  89  -1.937  -8.080   8.382
  693   2HD1  LEU  89          2HD1      LEU  89  -1.501  -8.115   6.673
  694   3HD1  LEU  89          3HD1      LEU  89  -3.124  -8.584   7.179
  695   1HD2  LEU  89          1HD2      LEU  89  -3.446  -6.094   5.253
  696   2HD2  LEU  89          2HD2      LEU  89  -4.578  -5.653   6.519
  697   3HD2  LEU  89          3HD2      LEU  89  -4.340  -7.341   6.106
  698    H    GLN  90           H        GLN  90  -6.297  -4.283   8.074
  699    HA   GLN  90           HA       GLN  90  -7.072  -4.085  10.885
  700   1HB   GLN  90          1HB       GLN  90  -8.293  -3.148   8.359
  701   2HB   GLN  90          1HB       GLN  90  -9.377  -3.555   9.676
  702   1HG   GLN  90          1HG       GLN  90  -8.994  -1.255   9.885
  703   2HG   GLN  90          1HG       GLN  90  -7.977  -2.005  11.114
  704   1HE2  GLN  90          1HE2      GLN  90  -7.280   0.434  10.588
  705   2HE2  GLN  90          2HE2      GLN  90  -5.892   0.534   9.563
  706    H    ASP  91           H        ASP  91  -7.636  -5.865  11.878
  707    HA   ASP  91           HA       ASP  91  -8.195  -8.074  12.162
  708   1HB   ASP  91          1HB       ASP  91 -10.489  -6.704  10.818
  709   2HB   ASP  91          1HB       ASP  91 -10.603  -8.427  11.170
  710    H    GLY  92           H        GLY  92  -6.601  -7.600   9.735
  711   1HA   GLY  92          2HA       GLY  92  -5.935  -9.703   8.556
  712   2HA   GLY  92          1HA       GLY  92  -7.628  -9.834   8.105
  713    H    LEU  93           H        LEU  93  -8.384  -7.504   7.183
  714    HA   LEU  93           HA       LEU  93  -7.110  -7.382   4.673
  715   1HB   LEU  93          1HB       LEU  93  -9.240  -5.600   5.833
  716   2HB   LEU  93          1HB       LEU  93  -8.858  -5.788   4.129
  717    HG   LEU  93           HG       LEU  93  -9.873  -8.005   5.905
  718   1HD1  LEU  93          1HD1      LEU  93 -11.610  -6.373   5.669
  719   2HD1  LEU  93          2HD1      LEU  93 -11.978  -7.741   4.617
  720   3HD1  LEU  93          3HD1      LEU  93 -11.324  -6.256   3.938
  721   1HD2  LEU  93          1HD2      LEU  93  -9.359  -7.816   2.948
  722   2HD2  LEU  93          2HD2      LEU  93 -10.266  -9.121   3.707
  723   3HD2  LEU  93          3HD2      LEU  93  -8.567  -8.875   4.109
  724    H    LEU  94           H        LEU  94  -6.152  -5.748   3.597
  725    HA   LEU  94           HA       LEU  94  -4.419  -4.056   5.110
  726   1HB   LEU  94          1HB       LEU  94  -3.713  -5.035   2.978
  727   2HB   LEU  94          1HB       LEU  94  -4.924  -4.100   2.137
  728    HG   LEU  94           HG       LEU  94  -3.773  -2.027   2.821
  729   1HD1  LEU  94          1HD1      LEU  94  -1.311  -3.412   3.614
  730   2HD1  LEU  94          2HD1      LEU  94  -2.627  -3.514   4.783
  731   3HD1  LEU  94          3HD1      LEU  94  -2.045  -1.939   4.248
  732   1HD2  LEU  94          1HD2      LEU  94  -1.499  -3.361   1.634
  733   2HD2  LEU  94          2HD2      LEU  94  -2.567  -2.137   0.954
  734   3HD2  LEU  94          3HD2      LEU  94  -3.012  -3.841   0.864
  735    H    HIS  95           H        HIS  95  -4.260  -1.781   4.873
  736    HA   HIS  95           HA       HIS  95  -6.698  -0.451   4.004
  737   1HB   HIS  95          1HB       HIS  95  -5.608  -0.277   6.794
  738   2HB   HIS  95          1HB       HIS  95  -6.542   1.042   6.097
  739    HD1  HIS  95          1HD       HIS  95  -8.799   0.903   7.101
  740    HD2  HIS  95          2HD       HIS  95  -7.355  -2.844   6.041
  741    HE1  HIS  95          1HE       HIS  95 -10.691  -0.698   7.528
  742    HE2  HIS  95          2HE       HIS  95  -9.806  -2.951   6.840
  743    H    ILE  96           H        ILE  96  -6.413   1.546   3.167
  744    HA   ILE  96           HA       ILE  96  -3.800   2.821   3.399
  745    HB   ILE  96           HB       ILE  96  -3.835   3.035   0.780
  746   1HG1  ILE  96          1HG1      ILE  96  -5.975   1.701   0.638
  747   2HG1  ILE  96          1HG1      ILE  96  -4.662   1.122  -0.384
  748   1HG2  ILE  96          1HG2      ILE  96  -2.654   1.059   2.595
  749   2HG2  ILE  96          2HG2      ILE  96  -1.886   2.158   1.452
  750   3HG2  ILE  96          3HG2      ILE  96  -2.594   0.647   0.884
  751   1HD1  ILE  96          1HD1      ILE  96  -6.106  -0.247   1.675
  752   2HD1  ILE  96          2HD1      ILE  96  -4.380  -0.236   2.034
  753   3HD1  ILE  96          3HD1      ILE  96  -4.952  -0.871   0.509
  754    H    THR  97           H        THR  97  -3.682   4.831   2.114
  755    HA   THR  97           HA       THR  97  -6.212   6.050   1.430
  756    HB   THR  97           HB       THR  97  -5.587   7.982   3.056
  757    HG1  THR  97          1HG       THR  97  -3.780   7.569   4.034
  758   1HG2  THR  97          1HG2      THR  97  -6.994   7.200   4.679
  759   2HG2  THR  97          2HG2      THR  97  -6.350   5.564   4.601
  760   3HG2  THR  97          3HG2      THR  97  -7.431   6.146   3.336
  761    H    THR  98           H        THR  98  -5.957   8.087   0.353
  762    HA   THR  98           HA       THR  98  -3.580   8.220  -1.216
  763    HB   THR  98           HB       THR  98  -5.363   8.926  -2.462
  764    HG1  THR  98          1HG       THR  98  -4.974  11.532  -1.696
  765   1HG2  THR  98          1HG2      THR  98  -6.389  10.235   0.008
  766   2HG2  THR  98          2HG2      THR  98  -7.177   9.084  -1.072
  767   3HG2  THR  98          3HG2      THR  98  -6.952  10.759  -1.579
  768    H    CYS  99           H        CYS  99  -3.930   8.963   1.841
  769    HA   CYS  99           HA       CYS  99  -1.987  11.165   1.731
  770   1HB   CYS  99          1HB       CYS  99  -4.037  12.026   2.718
  771   2HB   CYS  99          1HB       CYS  99  -4.047  10.744   3.908
  772    H    SER 100           H        SER 100  -1.909   8.169   1.794
  773    HA   SER 100           HA       SER 100  -0.076   7.837   4.071
  774   1HB   SER 100          1HB       SER 100  -2.205   6.316   3.850
  775   2HB   SER 100          1HB       SER 100  -1.293   5.528   2.564
  776    HG   SER 100           HG       SER 100  -0.572   5.790   5.292
  777    H    PHE 101           H        PHE 101   1.924   6.601   3.500
  778    HA   PHE 101           HA       PHE 101   2.881   7.476   0.990
  779   1HB   PHE 101          1HB       PHE 101   4.308   7.084   3.014
  780   2HB   PHE 101          1HB       PHE 101   4.224   5.361   2.645
  781    HD1  PHE 101          1HD       PHE 101   5.648   8.568   1.767
  782    HD2  PHE 101          2HD       PHE 101   5.247   4.509   0.562
  783    HE1  PHE 101          1HE       PHE 101   7.513   8.858   0.189
  784    HE2  PHE 101          2HE       PHE 101   7.121   4.791  -1.015
  785    HZ   PHE 101           HZ       PHE 101   8.252   6.967  -1.201
  786    H    VAL 102           H        VAL 102   2.040   6.675  -0.836
  787    HA   VAL 102           HA       VAL 102   2.360   3.831  -1.343
  788    HB   VAL 102           HB       VAL 102  -0.308   5.048  -1.999
  789   1HG1  VAL 102          1HG1      VAL 102   0.970   2.374  -2.128
  790   2HG1  VAL 102          2HG1      VAL 102  -0.117   3.171  -3.264
  791   3HG1  VAL 102          3HG1      VAL 102  -0.760   2.446  -1.790
  792   1HG2  VAL 102          1HG2      VAL 102  -1.280   4.389  -0.026
  793   2HG2  VAL 102          2HG2      VAL 102   0.294   4.902   0.564
  794   3HG2  VAL 102          3HG2      VAL 102  -0.036   3.189   0.317
  795    H    ALA 103           H        ALA 103   3.643   3.931  -3.067
  796    HA   ALA 103           HA       ALA 103   2.634   5.019  -5.533
  797   1HB   ALA 103          1HB       ALA 103   5.019   6.325  -5.631
  798   2HB   ALA 103          2HB       ALA 103   4.565   6.550  -3.944
  799   3HB   ALA 103          3HB       ALA 103   3.477   7.076  -5.227
  800    HA   PRO 104           HA       PRO 104   5.267   2.125  -7.676
  801   1HB   PRO 104          1HB       PRO 104   6.983   4.318  -8.704
  802   2HB   PRO 104          1HB       PRO 104   6.202   3.001  -9.583
  803   1HG   PRO 104          1HG       PRO 104   5.210   5.470  -9.697
  804   2HG   PRO 104          1HG       PRO 104   4.116   4.078  -9.569
  805   1HD   PRO 104          1HD       PRO 104   4.935   6.049  -7.474
  806   2HD   PRO 104          1HD       PRO 104   3.368   5.260  -7.721
  807    H    TRP 105           H        TRP 105   6.907   0.855  -6.973
  808    HA   TRP 105           HA       TRP 105   8.840   1.726  -5.118
  809   1HB   TRP 105          1HB       TRP 105   8.126  -0.642  -5.561
  810   2HB   TRP 105          1HB       TRP 105   8.895  -0.558  -7.118
  811    HD1  TRP 105           HD       TRP 105  11.236  -1.488  -7.201
  812    HE1  TRP 105          1HE       TRP 105  13.057  -2.021  -5.482
  813    HE3  TRP 105          3HE       TRP 105   8.967   0.374  -3.022
  814    HZ2  TRP 105          2HZ       TRP 105  13.478  -1.708  -2.699
  815    HZ3  TRP 105          3HZ       TRP 105  10.155   0.218  -0.863
  816    HH2  TRP 105           HH       TRP 105  12.357  -0.794  -0.732
  817    H    ASN 106           H        ASN 106   8.690   1.006  -8.479
  818    HA   ASN 106           HA       ASN 106  11.184   1.496  -9.240
  819   1HB   ASN 106          1HB       ASN 106   8.635   1.701 -10.735
  820   2HB   ASN 106          1HB       ASN 106  10.152   2.106 -11.538
  821   1HD2  ASN 106          1HD2      ASN 106   8.360  -0.428  -9.916
  822   2HD2  ASN 106          2HD2      ASN 106   9.263  -1.750 -10.567
  823    H    SER 107           H        SER 107   9.088   3.852  -8.092
  824    HA   SER 107           HA       SER 107  10.603   6.006  -9.349
  825   1HB   SER 107          1HB       SER 107   7.998   5.997  -7.840
  826   2HB   SER 107          1HB       SER 107   8.840   7.490  -8.255
  827    HG   SER 107           HG       SER 107   8.689   5.973 -10.441
  828    H    LEU 108           H        LEU 108  10.429   4.242  -6.620
  829    HA   LEU 108           HA       LEU 108  11.298   6.112  -4.661
  830   1HB   LEU 108          1HB       LEU 108  10.883   3.235  -4.904
  831   2HB   LEU 108          1HB       LEU 108  12.042   3.706  -3.677
  832    HG   LEU 108           HG       LEU 108  10.405   4.870  -2.437
  833   1HD1  LEU 108          1HD1      LEU 108   8.541   5.842  -3.220
  834   2HD1  LEU 108          2HD1      LEU 108   8.141   4.483  -4.268
  835   3HD1  LEU 108          3HD1      LEU 108   9.338   5.669  -4.780
  836   1HD2  LEU 108          1HD2      LEU 108   9.181   3.127  -1.716
  837   2HD2  LEU 108          2HD2      LEU 108  10.225   2.237  -2.821
  838   3HD2  LEU 108          3HD2      LEU 108   8.607   2.717  -3.333
  839    H    SER 109           H        SER 109  13.319   6.071  -3.564
  840    HA   SER 109           HA       SER 109  15.570   6.166  -5.313
  841   1HB   SER 109          1HB       SER 109  15.834   6.087  -2.338
  842   2HB   SER 109          1HB       SER 109  16.755   7.013  -3.510
  843    HG   SER 109           HG       SER 109  15.251   8.272  -2.271
  844    H    LEU 110           H        LEU 110  17.305   5.003  -5.255
  845    HA   LEU 110           HA       LEU 110  16.953   2.200  -5.203
  846   1HB   LEU 110          1HB       LEU 110  19.522   2.348  -5.542
  847   2HB   LEU 110          1HB       LEU 110  18.424   2.853  -6.780
  848    HG   LEU 110           HG       LEU 110  20.558   4.285  -5.821
  849   1HD1  LEU 110          1HD1      LEU 110  19.102   6.132  -7.182
  850   2HD1  LEU 110          2HD1      LEU 110  18.427   4.604  -7.751
  851   3HD1  LEU 110          3HD1      LEU 110  20.156   4.916  -7.905
  852   1HD2  LEU 110          1HD2      LEU 110  19.369   6.446  -5.157
  853   2HD2  LEU 110          2HD2      LEU 110  19.669   5.221  -3.928
  854   3HD2  LEU 110          3HD2      LEU 110  18.070   5.380  -4.647
  855    H    ALA 111           H        ALA 111  18.165   4.555  -3.051
  856    HA   ALA 111           HA       ALA 111  19.323   2.675  -1.216
  857   1HB   ALA 111          1HB       ALA 111  19.889   5.229  -1.851
  858   2HB   ALA 111          2HB       ALA 111  20.350   4.479  -0.317
  859   3HB   ALA 111          3HB       ALA 111  18.888   5.470  -0.415
  860    H    GLN 112           H        GLN 112  16.475   4.680  -1.606
  861    HA   GLN 112           HA       GLN 112  15.402   3.902   0.950
  862   1HB   GLN 112          1HB       GLN 112  15.023   6.180   0.181
  863   2HB   GLN 112          1HB       GLN 112  14.396   5.592  -1.354
  864   1HG   GLN 112          1HG       GLN 112  12.484   4.631  -0.226
  865   2HG   GLN 112          1HG       GLN 112  13.110   5.179   1.322
  866   1HE2  GLN 112          1HE2      GLN 112  10.882   5.845  -0.908
  867   2HE2  GLN 112          2HE2      GLN 112  10.745   7.557  -0.730
  868    H    ARG 113           H        ARG 113  15.872   2.523  -1.895
  869    HA   ARG 113           HA       ARG 113  13.375   1.081  -2.016
  870   1HB   ARG 113          1HB       ARG 113  15.753   1.379  -3.758
  871   2HB   ARG 113          1HB       ARG 113  14.919  -0.171  -3.808
  872   1HG   ARG 113          1HG       ARG 113  12.793   1.189  -4.198
  873   2HG   ARG 113          1HG       ARG 113  13.870   2.542  -4.533
  874   1HD   ARG 113          1HD       ARG 113  14.974   0.544  -6.003
  875   2HD   ARG 113          1HD       ARG 113  13.246   0.198  -6.131
  876    HE   ARG 113           HE       ARG 113  13.003   2.518  -6.955
  877   1HH1  ARG 113          1HH1      ARG 113  16.143   0.983  -7.143
  878   2HH1  ARG 113          2HH1      ARG 113  16.680   1.971  -8.455
  879   1HH2  ARG 113          1HH2      ARG 113  13.722   3.813  -8.682
  880   2HH2  ARG 113          2HH2      ARG 113  15.312   3.575  -9.328
  881    H    ARG 114           H        ARG 114  16.833   0.850  -1.204
  882    HA   ARG 114           HA       ARG 114  16.508  -1.864  -0.253
  883   1HB   ARG 114          1HB       ARG 114  18.733  -1.753   0.619
  884   2HB   ARG 114          1HB       ARG 114  18.776  -0.970  -0.953
  885   1HG   ARG 114          1HG       ARG 114  20.065   0.416   0.325
  886   2HG   ARG 114          1HG       ARG 114  18.496   1.194   0.468
  887   1HD   ARG 114          1HD       ARG 114  18.214  -0.348   2.557
  888   2HD   ARG 114          1HD       ARG 114  19.965  -0.480   2.448
  889    HE   ARG 114           HE       ARG 114  18.455   1.831   3.283
  890   1HH1  ARG 114          1HH1      ARG 114  21.525   0.652   2.110
  891   2HH1  ARG 114          2HH1      ARG 114  22.418   2.004   2.718
  892   1HH2  ARG 114          1HH2      ARG 114  19.635   3.612   4.085
  893   2HH2  ARG 114          2HH2      ARG 114  21.348   3.682   3.837
  894    H    GLY 115           H        GLY 115  16.882   1.347   1.167
  895   1HA   GLY 115          2HA       GLY 115  16.728   0.783   3.803
  896   2HA   GLY 115          1HA       GLY 115  16.021   2.221   3.103
  897    H    PHE 116           H        PHE 116  13.976   0.874   1.580
  898    HA   PHE 116           HA       PHE 116  12.206   0.464   3.772
  899   1HB   PHE 116          1HB       PHE 116  11.906   0.565   0.804
  900   2HB   PHE 116          1HB       PHE 116  10.693  -0.361   1.673
  901    HD1  PHE 116          1HD       PHE 116   9.791   0.984   3.839
  902    HD2  PHE 116          2HD       PHE 116  11.343   2.690   0.277
  903    HE1  PHE 116          1HE       PHE 116   8.494   3.030   4.242
  904    HE2  PHE 116          2HE       PHE 116  10.067   4.746   0.691
  905    HZ   PHE 116           HZ       PHE 116   8.631   4.910   2.680
  906    H    THR 117           H        THR 117  14.252  -1.459   1.991
  907    HA   THR 117           HA       THR 117  12.789  -3.892   2.455
  908    HB   THR 117           HB       THR 117  14.331  -3.193   0.381
  909    HG1  THR 117          1HG       THR 117  14.163  -5.266  -0.220
  910   1HG2  THR 117          1HG2      THR 117  16.478  -3.132   1.291
  911   2HG2  THR 117          2HG2      THR 117  16.369  -4.702   0.504
  912   3HG2  THR 117          3HG2      THR 117  16.215  -4.583   2.254
  913    H    LYS 118           H        LYS 118  15.320  -2.017   3.832
  914    HA   LYS 118           HA       LYS 118  15.635  -4.074   5.897
  915   1HB   LYS 118          1HB       LYS 118  17.815  -4.378   5.444
  916   2HB   LYS 118          1HB       LYS 118  17.431  -3.648   3.896
  917   1HG   LYS 118          1HG       LYS 118  17.979  -1.439   5.196
  918   2HG   LYS 118          1HG       LYS 118  18.918  -2.537   6.197
  919   1HD   LYS 118          1HD       LYS 118  19.963  -3.382   4.069
  920   2HD   LYS 118          1HD       LYS 118  19.164  -2.047   3.239
  921   1HE   LYS 118          1HE       LYS 118  20.722  -0.600   3.920
  922   2HE   LYS 118          1HE       LYS 118  20.546  -1.114   5.593
  923   1HZ   LYS 118          1HZ       LYS 118  22.488  -2.125   5.445
  924   2HZ   LYS 118          2HZ       LYS 118  22.654  -1.633   3.836
  925   3HZ   LYS 118          3HZ       LYS 118  21.918  -3.112   4.195
  926    H    THR 119           H        THR 119  16.132  -0.746   5.014
  927    HA   THR 119           HA       THR 119  17.168  -0.073   7.616
  928    HB   THR 119           HB       THR 119  16.840   1.981   5.570
  929    HG1  THR 119          1HG       THR 119  17.229   0.493   4.067
  930   1HG2  THR 119          1HG2      THR 119  19.525   1.209   5.881
  931   2HG2  THR 119          2HG2      THR 119  18.815   1.148   7.499
  932   3HG2  THR 119          3HG2      THR 119  18.739   2.643   6.557
  933    H    TYR 120           H        TYR 120  14.011   0.681   6.174
  934    HA   TYR 120           HA       TYR 120  14.023   3.147   7.641
  935   1HB   TYR 120          1HB       TYR 120  12.127   1.885   5.708
  936   2HB   TYR 120          1HB       TYR 120  11.731   3.322   6.608
  937    HD1  TYR 120          1HD       TYR 120  15.099   2.606   5.301
  938    HD2  TYR 120          2HD       TYR 120  11.509   4.829   4.826
  939    HE1  TYR 120          1HE       TYR 120  16.217   4.050   3.654
  940    HE2  TYR 120          2HE       TYR 120  12.614   6.277   3.181
  941    HH   TYR 120           HH       TYR 120  14.460   6.639   1.983
  942    H    THR 121           H        THR 121  13.580   0.305   9.053
  943    HA   THR 121           HA       THR 121  11.079   1.087  10.349
  944    HB   THR 121           HB       THR 121  11.609  -1.280   9.370
  945    HG1  THR 121          1HG       THR 121   9.760  -1.640  10.268
  946   1HG2  THR 121          1HG2      THR 121  11.952  -2.726  11.515
  947   2HG2  THR 121          2HG2      THR 121  12.884  -1.325  12.040
  948   3HG2  THR 121          3HG2      THR 121  13.324  -2.170  10.558
  949    H    VAL 122           H        VAL 122  14.134   1.516  10.889
  950    HA   VAL 122           HA       VAL 122  13.927   1.593  13.854
  951    HB   VAL 122           HB       VAL 122  16.586   1.180  12.523
  952   1HG1  VAL 122          1HG1      VAL 122  15.660   0.454  15.295
  953   2HG1  VAL 122          2HG1      VAL 122  16.390   2.008  14.897
  954   3HG1  VAL 122          3HG1      VAL 122  17.314   0.521  14.686
  955   1HG2  VAL 122          1HG2      VAL 122  16.211  -1.252  13.322
  956   2HG2  VAL 122          2HG2      VAL 122  15.495  -0.738  11.794
  957   3HG2  VAL 122          3HG2      VAL 122  14.497  -0.841  13.245
  958    H    GLY 123           H        GLY 123  14.869   3.229  11.018
  959   1HA   GLY 123          2HA       GLY 123  15.550   5.613  12.622
  960   2HA   GLY 123          1HA       GLY 123  16.411   5.220  11.127
  961    H    CYS 124           H        CYS 124  13.084   4.616  11.748
  962    HA   CYS 124           HA       CYS 124  12.201   5.616   9.343
  963   1HB   CYS 124          1HB       CYS 124   9.949   5.328  10.354
  964   2HB   CYS 124          1HB       CYS 124  11.011   3.933  10.366
  965    H    GLU 125           H        GLU 125  13.406   7.793   9.577
  966    HA   GLU 125           HA       GLU 125  11.399   9.719  10.517
  967   1HB   GLU 125          1HB       GLU 125  13.826  11.055  10.764
  968   2HB   GLU 125          1HB       GLU 125  12.845  10.412  12.078
  969   1HG   GLU 125          1HG       GLU 125  14.057   8.212  11.722
  970   2HG   GLU 125          1HG       GLU 125  15.176   9.127  10.703
  971    H    GLU 126           H        GLU 126  10.709   9.588   8.301
  972    HA   GLU 126           HA       GLU 126  12.410  11.178   6.538
  973   1HB   GLU 126          1HB       GLU 126  10.673   8.936   6.065
  974   2HB   GLU 126          1HB       GLU 126  10.399  10.258   4.963
  975   1HG   GLU 126          1HG       GLU 126  13.182   9.410   5.454
  976   2HG   GLU 126          1HG       GLU 126  12.151   8.379   4.459
  Start of MODEL   26
    1   1H    CYS   1          1HT       CYS   1  -9.045  14.458   1.014
    2   2H    CYS   1          2HT       CYS   1  -7.689  15.417   0.603
    3   3H    CYS   1          3HT       CYS   1  -8.266  15.399   2.214
    4    HA   CYS   1           HA       CYS   1  -6.790  13.873   2.632
    5   1HB   CYS   1          1HB       CYS   1  -8.929  12.527   1.090
    6   2HB   CYS   1          1HB       CYS   1  -7.464  11.596   1.355
    7    H    THR   2           H        THR   2  -6.371  15.334  -0.151
    8    HA   THR   2           HA       THR   2  -4.527  13.316  -1.217
    9    HB   THR   2           HB       THR   2  -4.501  14.933  -3.247
   10    HG1  THR   2          1HG       THR   2  -7.020  15.769  -2.775
   11   1HG2  THR   2          1HG2      THR   2  -6.928  13.327  -2.506
   12   2HG2  THR   2          2HG2      THR   2  -5.574  12.849  -3.528
   13   3HG2  THR   2          3HG2      THR   2  -6.709  14.078  -4.087
   14    H    CYS   3           H        CYS   3  -3.452  14.151   0.831
   15    HA   CYS   3           HA       CYS   3  -2.022  16.589   0.849
   16   1HB   CYS   3          1HB       CYS   3  -0.828  15.559   2.744
   17   2HB   CYS   3          1HB       CYS   3  -2.556  15.285   2.871
   18    H    VAL   4           H        VAL   4   0.526  16.130   1.400
   19    HA   VAL   4           HA       VAL   4   1.623  15.047  -1.100
   20    HB   VAL   4           HB       VAL   4   3.520  16.427  -0.816
   21   1HG1  VAL   4          1HG1      VAL   4   1.299  18.166   0.217
   22   2HG1  VAL   4          2HG1      VAL   4   1.341  17.553  -1.436
   23   3HG1  VAL   4          3HG1      VAL   4   2.630  18.606  -0.854
   24   1HG2  VAL   4          1HG2      VAL   4   3.941  17.761   1.215
   25   2HG2  VAL   4          2HG2      VAL   4   3.978  16.024   1.523
   26   3HG2  VAL   4          3HG2      VAL   4   2.568  16.973   1.993
   27    HA   PRO   5           HA       PRO   5   3.699  11.516   0.478
   28   1HB   PRO   5          1HB       PRO   5   6.237  13.072   0.129
   29   2HB   PRO   5          1HB       PRO   5   5.881  11.394  -0.303
   30   1HG   PRO   5          1HG       PRO   5   5.855  13.303  -2.159
   31   2HG   PRO   5          1HG       PRO   5   4.660  11.995  -2.181
   32   1HD   PRO   5          1HD       PRO   5   4.316  14.850  -1.471
   33   2HD   PRO   5          1HD       PRO   5   3.127  13.692  -2.091
   34    HA   PRO   6           HA       PRO   6   4.405  13.051   4.697
   35   1HB   PRO   6          1HB       PRO   6   3.162  10.845   5.844
   36   2HB   PRO   6          1HB       PRO   6   2.372  12.370   5.449
   37   1HG   PRO   6          1HG       PRO   6   1.960   9.816   4.241
   38   2HG   PRO   6          1HG       PRO   6   1.193  11.353   3.822
   39   1HD   PRO   6          1HD       PRO   6   3.415   9.945   2.502
   40   2HD   PRO   6          1HD       PRO   6   2.324  11.188   1.860
   41    H    HIS   7           H        HIS   7   6.101  12.656   5.947
   42    HA   HIS   7           HA       HIS   7   8.252  11.376   5.455
   43   1HB   HIS   7          1HB       HIS   7   6.898  11.493   8.137
   44   2HB   HIS   7          1HB       HIS   7   8.561  10.964   7.935
   45    HD1  HIS   7          1HD       HIS   7   7.378  13.782   5.811
   46    HD2  HIS   7          2HD       HIS   7   9.417  13.241   9.390
   47    HE1  HIS   7          1HE       HIS   7   8.334  16.032   6.383
   48    HE2  HIS   7          2HE       HIS   7   9.497  15.699   8.592
   49    HA   PRO   8           HA       PRO   8   7.356   7.030   5.013
   50   1HB   PRO   8          1HB       PRO   8   9.910   6.236   4.652
   51   2HB   PRO   8          1HB       PRO   8   8.963   7.010   3.373
   52   1HG   PRO   8          1HG       PRO   8  10.908   8.244   5.283
   53   2HG   PRO   8          1HG       PRO   8  10.824   8.442   3.521
   54   1HD   PRO   8          1HD       PRO   8   9.810  10.288   5.164
   55   2HD   PRO   8          1HD       PRO   8   8.960   9.840   3.667
   56    H    GLN   9           H        GLN   9   9.667   8.496   7.273
   57    HA   GLN   9           HA       GLN   9  10.210   6.255   8.833
   58   1HB   GLN   9          1HB       GLN   9  11.326   8.181   9.521
   59   2HB   GLN   9          1HB       GLN   9   9.923   9.194   9.298
   60   1HG   GLN   9          1HG       GLN   9   9.343   7.389  11.405
   61   2HG   GLN   9          1HG       GLN   9  10.941   8.069  11.696
   62   1HE2  GLN   9          1HE2      GLN   9  10.951   9.874  12.825
   63   2HE2  GLN   9          2HE2      GLN   9   9.681  11.044  12.891
   64    H    THR  10           H        THR  10   7.892   8.791   9.260
   65    HA   THR  10           HA       THR  10   6.201   7.557  10.972
   66    HB   THR  10           HB       THR  10   5.887   9.767   8.984
   67    HG1  THR  10          1HG       THR  10   5.164  10.155  11.601
   68   1HG2  THR  10          1HG2      THR  10   3.586   9.712  10.699
   69   2HG2  THR  10          2HG2      THR  10   3.626   8.275   9.683
   70   3HG2  THR  10          3HG2      THR  10   3.681   9.876   8.946
   71    H    ALA  11           H        ALA  11   5.778   7.647   7.367
   72    HA   ALA  11           HA       ALA  11   3.511   6.033   7.364
   73   1HB   ALA  11          1HB       ALA  11   5.404   5.860   5.125
   74   2HB   ALA  11          2HB       ALA  11   4.730   7.444   5.524
   75   3HB   ALA  11          3HB       ALA  11   3.656   6.094   5.130
   76    H    PHE  12           H        PHE  12   6.923   5.072   6.874
   77    HA   PHE  12           HA       PHE  12   6.370   2.355   6.508
   78   1HB   PHE  12          1HB       PHE  12   8.638   3.704   6.247
   79   2HB   PHE  12          1HB       PHE  12   8.904   3.131   7.895
   80    HD1  PHE  12          1HD       PHE  12  10.069   1.160   8.114
   81    HD2  PHE  12          2HD       PHE  12   7.690   1.768   4.639
   82    HE1  PHE  12          1HE       PHE  12  10.765  -1.032   7.242
   83    HE2  PHE  12          2HE       PHE  12   8.393  -0.424   3.772
   84    HZ   PHE  12           HZ       PHE  12   9.936  -1.825   5.075
   85    H    CYS  13           H        CYS  13   7.621   3.950   9.410
   86    HA   CYS  13           HA       CYS  13   7.381   1.687  11.038
   87   1HB   CYS  13          1HB       CYS  13   7.808   4.596  11.551
   88   2HB   CYS  13          1HB       CYS  13   7.477   3.522  12.899
   89    H    ASN  14           H        ASN  14   5.223   4.563  10.832
   90    HA   ASN  14           HA       ASN  14   3.544   3.603  12.831
   91   1HB   ASN  14          1HB       ASN  14   3.639   5.937  11.609
   92   2HB   ASN  14          1HB       ASN  14   2.366   5.223  10.621
   93   1HD2  ASN  14          1HD2      ASN  14   0.410   5.715  11.309
   94   2HD2  ASN  14          2HD2      ASN  14  -0.065   5.955  12.953
   95    H    SER  15           H        SER  15   3.515   2.816   9.318
   96    HA   SER  15           HA       SER  15   1.034   1.515   9.494
   97   1HB   SER  15          1HB       SER  15   2.465   2.472   7.404
   98   2HB   SER  15          1HB       SER  15   2.727   0.741   7.261
   99    HG   SER  15           HG       SER  15   0.475   2.212   6.803
  100    H    ASP  16           H        ASP  16   0.634  -0.434   9.287
  101    HA   ASP  16           HA       ASP  16   2.371  -2.400  10.435
  102   1HB   ASP  16          1HB       ASP  16  -0.553  -2.148  10.169
  103   2HB   ASP  16          1HB       ASP  16   0.177  -3.665  10.681
  104    H    LEU  17           H        LEU  17   1.844  -1.607   7.444
  105    HA   LEU  17           HA       LEU  17   2.766  -4.040   6.555
  106   1HB   LEU  17          1HB       LEU  17  -0.126  -3.910   6.456
  107   2HB   LEU  17          1HB       LEU  17   0.604  -4.306   4.903
  108    HG   LEU  17           HG       LEU  17   2.021  -5.825   6.757
  109   1HD1  LEU  17          1HD1      LEU  17  -0.338  -5.183   8.015
  110   2HD1  LEU  17          2HD1      LEU  17   0.728  -6.535   8.399
  111   3HD1  LEU  17          3HD1      LEU  17  -0.632  -6.770   7.323
  112   1HD2  LEU  17          1HD2      LEU  17  -0.248  -6.637   4.969
  113   2HD2  LEU  17          2HD2      LEU  17   0.962  -7.718   5.656
  114   3HD2  LEU  17          3HD2      LEU  17   1.441  -6.480   4.493
  115    H    VAL  18           H        VAL  18   4.059  -3.705   5.012
  116    HA   VAL  18           HA       VAL  18   3.434  -1.694   2.991
  117    HB   VAL  18           HB       VAL  18   6.184  -1.877   4.208
  118   1HG1  VAL  18          1HG1      VAL  18   6.389  -0.875   2.141
  119   2HG1  VAL  18          2HG1      VAL  18   6.188   0.521   3.200
  120   3HG1  VAL  18          3HG1      VAL  18   4.823  -0.071   2.252
  121   1HG2  VAL  18          1HG2      VAL  18   4.045   0.134   4.917
  122   2HG2  VAL  18          2HG2      VAL  18   5.715   0.141   5.487
  123   3HG2  VAL  18          3HG2      VAL  18   4.626  -1.161   5.965
  124    H    ILE  19           H        ILE  19   3.843  -2.445   1.012
  125    HA   ILE  19           HA       ILE  19   5.774  -4.587   0.640
  126    HB   ILE  19           HB       ILE  19   4.138  -6.000  -0.453
  127   1HG1  ILE  19          1HG1      ILE  19   2.012  -4.016   0.351
  128   2HG1  ILE  19          1HG1      ILE  19   2.721  -4.055  -1.259
  129   1HG2  ILE  19          1HG2      ILE  19   4.389  -5.823   2.157
  130   2HG2  ILE  19          2HG2      ILE  19   3.184  -6.872   1.420
  131   3HG2  ILE  19          3HG2      ILE  19   2.709  -5.299   2.053
  132   1HD1  ILE  19          1HD1      ILE  19   1.671  -5.998  -1.821
  133   2HD1  ILE  19          2HD1      ILE  19   0.482  -5.304  -0.719
  134   3HD1  ILE  19          3HD1      ILE  19   1.580  -6.564  -0.153
  135    H    ARG  20           H        ARG  20   5.078  -5.266  -1.914
  136    HA   ARG  20           HA       ARG  20   5.015  -2.842  -3.455
  137   1HB   ARG  20          1HB       ARG  20   6.858  -3.423  -4.849
  138   2HB   ARG  20          1HB       ARG  20   7.448  -3.571  -3.201
  139   1HG   ARG  20          1HG       ARG  20   7.122  -5.991  -3.316
  140   2HG   ARG  20          1HG       ARG  20   6.563  -5.823  -4.977
  141   1HD   ARG  20          1HD       ARG  20   9.111  -4.511  -4.577
  142   2HD   ARG  20          1HD       ARG  20   9.185  -6.211  -4.124
  143    HE   ARG  20           HE       ARG  20   8.888  -6.797  -6.328
  144   1HH1  ARG  20          1HH1      ARG  20   8.447  -3.355  -5.948
  145   2HH1  ARG  20          2HH1      ARG  20   8.395  -3.051  -7.650
  146   1HH2  ARG  20          1HH2      ARG  20   8.813  -6.394  -8.564
  147   2HH2  ARG  20          2HH2      ARG  20   8.611  -4.772  -9.132
  148    H    ALA  21           H        ALA  21   3.604  -3.104  -5.011
  149    HA   ALA  21           HA       ALA  21   2.984  -5.751  -6.087
  150   1HB   ALA  21          1HB       ALA  21   1.007  -4.296  -4.386
  151   2HB   ALA  21          2HB       ALA  21   1.646  -5.927  -4.196
  152   3HB   ALA  21          3HB       ALA  21   0.539  -5.564  -5.518
  153    H    LYS  22           H        LYS  22   1.074  -5.832  -7.414
  154    HA   LYS  22           HA       LYS  22   0.864  -3.573  -9.309
  155   1HB   LYS  22          1HB       LYS  22   1.267  -6.477  -9.610
  156   2HB   LYS  22          1HB       LYS  22   0.107  -5.789 -10.724
  157   1HG   LYS  22          1HG       LYS  22   1.746  -4.599 -11.828
  158   2HG   LYS  22          1HG       LYS  22   2.791  -4.522 -10.407
  159   1HD   LYS  22          1HD       LYS  22   2.347  -7.256 -11.221
  160   2HD   LYS  22          1HD       LYS  22   2.988  -6.298 -12.551
  161   1HE   LYS  22          1HE       LYS  22   4.815  -5.540 -11.115
  162   2HE   LYS  22          1HE       LYS  22   4.186  -6.535  -9.802
  163   1HZ   LYS  22          1HZ       LYS  22   5.272  -7.462 -12.401
  164   2HZ   LYS  22          2HZ       LYS  22   4.461  -8.475 -11.316
  165   3HZ   LYS  22          3HZ       LYS  22   5.915  -7.741 -10.860
  166    H    PHE  23           H        PHE  23  -1.283  -3.098 -10.087
  167    HA   PHE  23           HA       PHE  23  -3.405  -4.335  -8.470
  168   1HB   PHE  23          1HB       PHE  23  -3.221  -1.728  -9.947
  169   2HB   PHE  23          1HB       PHE  23  -4.800  -2.418  -9.568
  170    HD1  PHE  23          1HD       PHE  23  -5.784  -1.806  -7.577
  171    HD2  PHE  23          2HD       PHE  23  -1.541  -1.726  -7.897
  172    HE1  PHE  23          1HE       PHE  23  -5.631  -0.902  -5.292
  173    HE2  PHE  23          2HE       PHE  23  -1.380  -0.823  -5.615
  174    HZ   PHE  23           HZ       PHE  23  -3.427  -0.411  -4.309
  175    H    VAL  24           H        VAL  24  -4.592  -5.794  -9.184
  176    HA   VAL  24           HA       VAL  24  -5.026  -6.088 -12.054
  177    HB   VAL  24           HB       VAL  24  -4.781  -8.637 -11.223
  178   1HG1  VAL  24          1HG1      VAL  24  -3.720  -7.932 -13.196
  179   2HG1  VAL  24          2HG1      VAL  24  -2.418  -8.471 -12.133
  180   3HG1  VAL  24          3HG1      VAL  24  -2.751  -6.748 -12.318
  181   1HG2  VAL  24          1HG2      VAL  24  -2.546  -7.313  -9.822
  182   2HG2  VAL  24          2HG2      VAL  24  -3.134  -8.973  -9.681
  183   3HG2  VAL  24          3HG2      VAL  24  -4.072  -7.645  -9.007
  184    H    GLY  25           H        GLY  25  -7.014  -5.066 -10.469
  185   1HA   GLY  25          2HA       GLY  25  -9.144  -6.825 -11.008
  186   2HA   GLY  25          1HA       GLY  25  -8.832  -6.850  -9.285
  187    H    THR  26           H        THR  26 -11.265  -5.977 -10.165
  188    HA   THR  26           HA       THR  26 -11.242  -3.081 -10.329
  189    HB   THR  26           HB       THR  26 -13.699  -4.787 -10.187
  190    HG1  THR  26          1HG       THR  26 -12.154  -4.448 -12.534
  191   1HG2  THR  26          1HG2      THR  26 -12.967  -2.269 -11.630
  192   2HG2  THR  26          2HG2      THR  26 -14.257  -2.537 -10.455
  193   3HG2  THR  26          3HG2      THR  26 -14.373  -3.238 -12.068
  194    HA   PRO  27           HA       PRO  27 -12.135  -2.400  -6.049
  195   1HB   PRO  27          1HB       PRO  27 -13.116   0.101  -6.138
  196   2HB   PRO  27          1HB       PRO  27 -11.416  -0.270  -6.435
  197   1HG   PRO  27          1HG       PRO  27 -13.610   0.272  -8.390
  198   2HG   PRO  27          1HG       PRO  27 -11.927   0.829  -8.414
  199   1HD   PRO  27          1HD       PRO  27 -12.855  -1.267  -9.895
  200   2HD   PRO  27          1HD       PRO  27 -11.174  -1.110  -9.366
  201    H    GLU  28           H        GLU  28 -13.635  -3.007  -4.701
  202    HA   GLU  28           HA       GLU  28 -16.424  -3.015  -5.586
  203   1HB   GLU  28          1HB       GLU  28 -14.827  -4.791  -4.034
  204   2HB   GLU  28          1HB       GLU  28 -16.170  -4.247  -3.036
  205   1HG   GLU  28          1HG       GLU  28 -17.560  -4.800  -5.201
  206   2HG   GLU  28          1HG       GLU  28 -16.188  -5.854  -5.533
  207    H    VAL  29           H        VAL  29 -17.531  -1.226  -5.164
  208    HA   VAL  29           HA       VAL  29 -17.034   0.162  -2.631
  209    HB   VAL  29           HB       VAL  29 -18.638   1.273  -4.895
  210   1HG1  VAL  29          1HG1      VAL  29 -18.532   3.260  -3.837
  211   2HG1  VAL  29          2HG1      VAL  29 -16.933   2.946  -3.167
  212   3HG1  VAL  29          3HG1      VAL  29 -18.358   2.221  -2.422
  213   1HG2  VAL  29          1HG2      VAL  29 -16.835   1.346  -6.193
  214   2HG2  VAL  29          2HG2      VAL  29 -15.830   0.662  -4.917
  215   3HG2  VAL  29          3HG2      VAL  29 -16.077   2.405  -5.006
  216    H    ASN  30           H        ASN  30 -18.417  -0.801  -1.069
  217    HA   ASN  30           HA       ASN  30 -21.177  -1.260  -1.712
  218   1HB   ASN  30          1HB       ASN  30 -19.703  -2.277   0.271
  219   2HB   ASN  30          1HB       ASN  30 -20.407  -0.916   1.139
  220   1HD2  ASN  30          1HD2      ASN  30 -22.261  -1.305   2.124
  221   2HD2  ASN  30          2HD2      ASN  30 -23.419  -2.502   1.671
  222    H    GLN  31           H        GLN  31 -22.908  -0.217  -0.787
  223    HA   GLN  31           HA       GLN  31 -22.643   2.683  -0.819
  224   1HB   GLN  31          1HB       GLN  31 -25.138   1.008  -0.482
  225   2HB   GLN  31          1HB       GLN  31 -25.091   2.738  -0.812
  226   1HG   GLN  31          1HG       GLN  31 -23.903   0.718  -2.671
  227   2HG   GLN  31          1HG       GLN  31 -25.601   1.184  -2.747
  228   1HE2  GLN  31          1HE2      GLN  31 -22.317   2.213  -3.244
  229   2HE2  GLN  31          2HE2      GLN  31 -22.683   3.658  -4.116
  230    H    THR  32           H        THR  32 -22.415   0.289   1.440
  231    HA   THR  32           HA       THR  32 -22.996   2.160   3.602
  232    HB   THR  32           HB       THR  32 -24.465  -0.262   2.804
  233    HG1  THR  32          1HG       THR  32 -25.079   2.142   3.272
  234   1HG2  THR  32          1HG2      THR  32 -23.351  -1.024   4.948
  235   2HG2  THR  32          2HG2      THR  32 -25.107  -1.090   4.879
  236   3HG2  THR  32          3HG2      THR  32 -24.312   0.215   5.758
  237    H    THR  33           H        THR  33 -20.545   1.199   2.511
  238    HA   THR  33           HA       THR  33 -19.526  -0.610   4.572
  239    HB   THR  33           HB       THR  33 -18.491  -1.296   2.651
  240    HG1  THR  33          1HG       THR  33 -16.953  -0.312   4.145
  241   1HG2  THR  33          1HG2      THR  33 -19.508   0.937   1.428
  242   2HG2  THR  33          2HG2      THR  33 -18.488  -0.265   0.655
  243   3HG2  THR  33          3HG2      THR  33 -17.773   1.188   1.341
  244    H    LEU  34           H        LEU  34 -18.823   2.448   2.872
  245    HA   LEU  34           HA       LEU  34 -18.026   4.407   3.912
  246   1HB   LEU  34          1HB       LEU  34 -17.761   2.568   6.206
  247   2HB   LEU  34          1HB       LEU  34 -16.528   3.763   6.054
  248    HG   LEU  34           HG       LEU  34 -19.481   4.277   6.278
  249   1HD1  LEU  34          1HD1      LEU  34 -17.536   3.704   8.228
  250   2HD1  LEU  34          2HD1      LEU  34 -19.176   4.299   8.488
  251   3HD1  LEU  34          3HD1      LEU  34 -17.839   5.438   8.326
  252   1HD2  LEU  34          1HD2      LEU  34 -19.112   6.378   5.611
  253   2HD2  LEU  34          2HD2      LEU  34 -17.512   5.851   5.071
  254   3HD2  LEU  34          3HD2      LEU  34 -17.725   6.536   6.689
  255    H    TYR  35           H        TYR  35 -16.703   1.419   3.253
  256    HA   TYR  35           HA       TYR  35 -14.198   2.548   2.282
  257   1HB   TYR  35          1HB       TYR  35 -13.168   0.233   2.916
  258   2HB   TYR  35          1HB       TYR  35 -13.215   1.552   4.060
  259    HD1  TYR  35          1HD       TYR  35 -14.140  -1.833   3.454
  260    HD2  TYR  35          2HD       TYR  35 -15.062   1.632   5.725
  261    HE1  TYR  35          1HE       TYR  35 -15.290  -3.237   5.127
  262    HE2  TYR  35          2HE       TYR  35 -16.199   0.273   7.384
  263    HH   TYR  35           HH       TYR  35 -16.710  -3.192   6.925
  264    H    GLN  36           H        GLN  36 -12.995   0.935   0.872
  265    HA   GLN  36           HA       GLN  36 -14.865  -0.645  -0.707
  266   1HB   GLN  36          1HB       GLN  36 -12.996   1.521  -1.660
  267   2HB   GLN  36          1HB       GLN  36 -13.785   0.368  -2.732
  268   1HG   GLN  36          1HG       GLN  36 -15.776   1.391  -2.569
  269   2HG   GLN  36          1HG       GLN  36 -15.494   1.933  -0.910
  270   1HE2  GLN  36          1HE2      GLN  36 -14.239   2.424  -4.192
  271   2HE2  GLN  36          2HE2      GLN  36 -14.020   4.131  -4.044
  272    H    ARG  37           H        ARG  37 -13.358  -1.734  -2.512
  273    HA   ARG  37           HA       ARG  37 -10.737  -2.271  -1.395
  274   1HB   ARG  37          1HB       ARG  37 -11.427  -4.808  -2.196
  275   2HB   ARG  37          1HB       ARG  37 -11.324  -4.240  -0.537
  276   1HG   ARG  37          1HG       ARG  37 -13.876  -3.873  -2.014
  277   2HG   ARG  37          1HG       ARG  37 -13.443  -5.482  -1.430
  278   1HD   ARG  37          1HD       ARG  37 -14.044  -4.939   0.644
  279   2HD   ARG  37          1HD       ARG  37 -12.962  -3.549   0.633
  280    HE   ARG  37           HE       ARG  37 -14.757  -2.194   0.220
  281   1HH1  ARG  37          1HH1      ARG  37 -15.713  -5.514  -0.230
  282   2HH1  ARG  37          2HH1      ARG  37 -17.378  -5.125  -0.507
  283   1HH2  ARG  37          1HH2      ARG  37 -16.936  -1.677  -0.159
  284   2HH2  ARG  37          2HH2      ARG  37 -18.070  -2.947  -0.476
  285    H    TYR  38           H        TYR  38  -9.257  -3.076  -2.789
  286    HA   TYR  38           HA       TYR  38  -9.908  -3.019  -5.674
  287   1HB   TYR  38          1HB       TYR  38  -7.807  -1.539  -4.150
  288   2HB   TYR  38          1HB       TYR  38  -7.286  -2.268  -5.652
  289    HD1  TYR  38          1HD       TYR  38  -8.200   0.720  -4.275
  290    HD2  TYR  38          2HD       TYR  38  -9.163  -1.712  -7.632
  291    HE1  TYR  38          1HE       TYR  38  -8.959   2.707  -5.475
  292    HE2  TYR  38          2HE       TYR  38  -9.932   0.283  -8.846
  293    HH   TYR  38           HH       TYR  38 -10.254   3.384  -7.292
  294    H    GLU  39           H        GLU  39  -8.660  -4.633  -6.878
  295    HA   GLU  39           HA       GLU  39  -7.387  -6.611  -5.144
  296   1HB   GLU  39          1HB       GLU  39  -8.007  -7.094  -8.029
  297   2HB   GLU  39          1HB       GLU  39  -7.912  -8.249  -6.716
  298   1HG   GLU  39          1HG       GLU  39 -10.012  -7.405  -5.808
  299   2HG   GLU  39          1HG       GLU  39 -10.109  -6.228  -7.114
  300    H    ILE  40           H        ILE  40  -5.335  -7.445  -5.642
  301    HA   ILE  40           HA       ILE  40  -3.884  -5.944  -7.685
  302    HB   ILE  40           HB       ILE  40  -1.968  -5.774  -6.015
  303   1HG1  ILE  40          1HG1      ILE  40  -4.197  -6.055  -3.999
  304   2HG1  ILE  40          1HG1      ILE  40  -3.097  -7.371  -4.396
  305   1HG2  ILE  40          1HG2      ILE  40  -3.557  -3.889  -4.779
  306   2HG2  ILE  40          2HG2      ILE  40  -4.357  -4.153  -6.328
  307   3HG2  ILE  40          3HG2      ILE  40  -2.661  -3.676  -6.281
  308   1HD1  ILE  40          1HD1      ILE  40  -1.511  -6.551  -3.081
  309   2HD1  ILE  40          2HD1      ILE  40  -2.739  -5.455  -2.447
  310   3HD1  ILE  40          3HD1      ILE  40  -1.680  -4.931  -3.756
  311    H    LYS  41           H        LYS  41  -1.516  -6.728  -7.672
  312    HA   LYS  41           HA       LYS  41  -1.455  -9.647  -7.619
  313   1HB   LYS  41          1HB       LYS  41  -1.254  -8.830  -9.946
  314   2HB   LYS  41          1HB       LYS  41   0.060  -7.782  -9.452
  315   1HG   LYS  41          1HG       LYS  41   1.339  -9.457 -10.201
  316   2HG   LYS  41          1HG       LYS  41   0.999 -10.168  -8.621
  317   1HD   LYS  41          1HD       LYS  41  -0.938 -10.652 -10.823
  318   2HD   LYS  41          1HD       LYS  41   0.603 -11.511 -10.870
  319   1HE   LYS  41          1HE       LYS  41  -1.220 -11.484  -8.473
  320   2HE   LYS  41          1HE       LYS  41  -1.275 -12.725  -9.723
  321   1HZ   LYS  41          1HZ       LYS  41   1.226 -12.095  -8.279
  322   2HZ   LYS  41          2HZ       LYS  41   0.839 -13.488  -9.158
  323   3HZ   LYS  41          3HZ       LYS  41   0.103 -13.200  -7.663
  324    H    MET  42           H        MET  42  -0.852  -9.354  -5.394
  325    HA   MET  42           HA       MET  42   1.111  -7.739  -4.404
  326   1HB   MET  42          1HB       MET  42  -0.395  -9.295  -3.115
  327   2HB   MET  42          1HB       MET  42   0.727 -10.591  -3.512
  328   1HG   MET  42          1HG       MET  42   2.287  -8.507  -2.483
  329   2HG   MET  42          1HG       MET  42   0.872  -8.624  -1.437
  330   1HE   MET  42          1HE       MET  42   1.223 -11.535   0.607
  331   2HE   MET  42          2HE       MET  42   0.386 -10.069   0.095
  332   3HE   MET  42          3HE       MET  42   1.935  -9.956   0.926
  333    H    THR  43           H        THR  43   3.185  -7.467  -4.895
  334    HA   THR  43           HA       THR  43   4.494  -9.538  -6.403
  335    HB   THR  43           HB       THR  43   5.700  -6.900  -5.629
  336    HG1  THR  43          1HG       THR  43   3.544  -7.091  -6.979
  337   1HG2  THR  43          1HG2      THR  43   6.897  -8.968  -6.851
  338   2HG2  THR  43          2HG2      THR  43   7.301  -7.279  -7.149
  339   3HG2  THR  43          3HG2      THR  43   6.212  -8.129  -8.240
  340    H    LYS  44           H        LYS  44   5.455  -7.588  -3.547
  341    HA   LYS  44           HA       LYS  44   6.475  -9.920  -2.191
  342   1HB   LYS  44          1HB       LYS  44   8.345  -9.067  -3.728
  343   2HB   LYS  44          1HB       LYS  44   8.388  -7.641  -2.701
  344   1HG   LYS  44          1HG       LYS  44   8.501 -10.089  -1.156
  345   2HG   LYS  44          1HG       LYS  44   9.808  -9.982  -2.335
  346   1HD   LYS  44          1HD       LYS  44   9.115  -7.728  -0.465
  347   2HD   LYS  44          1HD       LYS  44  10.269  -8.994  -0.043
  348   1HE   LYS  44          1HE       LYS  44  10.786  -7.858  -2.666
  349   2HE   LYS  44          1HE       LYS  44  10.816  -6.642  -1.393
  350   1HZ   LYS  44          1HZ       LYS  44  12.278  -8.428  -0.206
  351   2HZ   LYS  44          2HZ       LYS  44  12.959  -7.370  -1.335
  352   3HZ   LYS  44          3HZ       LYS  44  12.571  -8.952  -1.788
  353    H    MET  45           H        MET  45   6.667  -9.550   0.076
  354    HA   MET  45           HA       MET  45   5.321  -7.136   0.992
  355   1HB   MET  45          1HB       MET  45   6.078  -9.728   2.324
  356   2HB   MET  45          1HB       MET  45   5.497  -8.353   3.251
  357   1HG   MET  45          1HG       MET  45   3.377  -8.457   2.313
  358   2HG   MET  45          1HG       MET  45   3.924  -9.427   0.946
  359   1HE   MET  45          1HE       MET  45   4.016  -9.189   4.626
  360   2HE   MET  45          2HE       MET  45   4.806 -10.738   4.923
  361   3HE   MET  45          3HE       MET  45   3.075 -10.560   5.211
  362    H    TYR  46           H        TYR  46   6.283  -5.497   2.064
  363    HA   TYR  46           HA       TYR  46   9.151  -5.690   2.711
  364   1HB   TYR  46          1HB       TYR  46   7.438  -3.487   1.600
  365   2HB   TYR  46          1HB       TYR  46   8.915  -3.106   2.442
  366    HD1  TYR  46          1HD       TYR  46  11.037  -3.271   1.335
  367    HD2  TYR  46          2HD       TYR  46   7.524  -4.853  -0.466
  368    HE1  TYR  46          1HE       TYR  46  12.254  -3.544  -0.779
  369    HE2  TYR  46          2HE       TYR  46   8.737  -5.130  -2.566
  370    HH   TYR  46           HH       TYR  46  10.852  -3.930  -3.661
  371    H    LYS  47           H        LYS  47   6.409  -5.960   4.244
  372    HA   LYS  47           HA       LYS  47   7.181  -5.429   6.778
  373   1HB   LYS  47          1HB       LYS  47   6.985  -2.957   5.738
  374   2HB   LYS  47          1HB       LYS  47   5.312  -3.187   6.222
  375   1HG   LYS  47          1HG       LYS  47   7.407  -3.854   8.204
  376   2HG   LYS  47          1HG       LYS  47   7.118  -2.149   7.850
  377   1HD   LYS  47          1HD       LYS  47   5.495  -2.305   9.392
  378   2HD   LYS  47          1HD       LYS  47   4.575  -3.110   8.121
  379   1HE   LYS  47          1HE       LYS  47   4.740  -5.130   9.102
  380   2HE   LYS  47          1HE       LYS  47   6.398  -4.851   9.632
  381   1HZ   LYS  47          1HZ       LYS  47   4.176  -3.427  10.938
  382   2HZ   LYS  47          2HZ       LYS  47   5.702  -3.818  11.555
  383   3HZ   LYS  47          3HZ       LYS  47   4.529  -5.022  11.377
  384    H    GLY  48           H        GLY  48   5.857  -6.846   7.792
  385   1HA   GLY  48          2HA       GLY  48   3.327  -6.919   8.425
  386   2HA   GLY  48          1HA       GLY  48   3.152  -7.223   6.703
  387    H    PHE  49           H        PHE  49   5.984  -8.612   7.343
  388    HA   PHE  49           HA       PHE  49   5.309 -11.168   6.918
  389   1HB   PHE  49          1HB       PHE  49   7.477 -10.431   8.880
  390   2HB   PHE  49          1HB       PHE  49   7.425 -11.832   7.814
  391    HD1  PHE  49          1HD       PHE  49   7.214 -11.212   5.241
  392    HD2  PHE  49          2HD       PHE  49   8.786  -8.653   8.257
  393    HE1  PHE  49          1HE       PHE  49   8.439  -9.945   3.523
  394    HE2  PHE  49          2HE       PHE  49  10.014  -7.382   6.544
  395    HZ   PHE  49           HZ       PHE  49   9.840  -8.028   4.174
  396    H    GLN  50           H        GLN  50   5.257  -9.612  10.115
  397    HA   GLN  50           HA       GLN  50   4.692 -11.982  11.529
  398   1HB   GLN  50          1HB       GLN  50   5.040  -9.324  12.238
  399   2HB   GLN  50          1HB       GLN  50   3.368  -9.662  12.679
  400   1HG   GLN  50          1HG       GLN  50   3.953 -11.318  14.169
  401   2HG   GLN  50          1HG       GLN  50   5.526 -11.575  13.417
  402   1HE2  GLN  50          1HE2      GLN  50   3.712  -9.743  15.708
  403   2HE2  GLN  50          2HE2      GLN  50   5.039  -8.875  16.392
  404    H    ALA  51           H        ALA  51   2.799 -10.059   9.433
  405    HA   ALA  51           HA       ALA  51   0.255 -11.185  10.272
  406   1HB   ALA  51          1HB       ALA  51  -0.760  -9.521   9.088
  407   2HB   ALA  51          2HB       ALA  51   0.446  -9.561   7.801
  408   3HB   ALA  51          3HB       ALA  51   0.805  -8.740   9.321
  409    H    LEU  52           H        LEU  52   2.834 -12.048   8.216
  410    HA   LEU  52           HA       LEU  52   1.450 -13.117   6.056
  411   1HB   LEU  52          1HB       LEU  52   3.395 -14.144   5.361
  412   2HB   LEU  52          1HB       LEU  52   3.975 -12.745   6.240
  413    HG   LEU  52           HG       LEU  52   4.020 -14.655   8.195
  414   1HD1  LEU  52          1HD1      LEU  52   4.521 -16.736   7.426
  415   2HD1  LEU  52          2HD1      LEU  52   5.222 -16.133   5.924
  416   3HD1  LEU  52          3HD1      LEU  52   3.470 -16.219   6.108
  417   1HD2  LEU  52          1HD2      LEU  52   6.259 -14.160   6.241
  418   2HD2  LEU  52          2HD2      LEU  52   6.397 -14.630   7.935
  419   3HD2  LEU  52          3HD2      LEU  52   5.796 -13.031   7.509
  420    H    GLY  53           H        GLY  53  -0.296 -13.816   7.303
  421   1HA   GLY  53          2HA       GLY  53  -0.442 -15.885   9.125
  422   2HA   GLY  53          1HA       GLY  53  -1.690 -15.556   7.927
  423    H    ASP  54           H        ASP  54  -1.358 -16.421   5.787
  424    HA   ASP  54           HA       ASP  54  -0.333 -19.129   5.947
  425   1HB   ASP  54          1HB       ASP  54  -2.007 -17.752   3.844
  426   2HB   ASP  54          1HB       ASP  54  -1.500 -19.435   3.765
  427    H    ALA  55           H        ALA  55  -0.438 -16.944   3.246
  428    HA   ALA  55           HA       ALA  55   2.448 -16.827   3.068
  429   1HB   ALA  55          1HB       ALA  55   1.217 -17.590   0.520
  430   2HB   ALA  55          2HB       ALA  55   1.222 -18.852   1.753
  431   3HB   ALA  55          3HB       ALA  55   2.739 -18.105   1.247
  432    H    ALA  56           H        ALA  56  -0.675 -16.107   1.698
  433    HA   ALA  56           HA       ALA  56   0.309 -13.458   0.823
  434   1HB   ALA  56          1HB       ALA  56  -0.665 -13.707  -1.168
  435   2HB   ALA  56          2HB       ALA  56  -2.151 -14.339  -0.458
  436   3HB   ALA  56          3HB       ALA  56  -0.792 -15.419  -0.765
  437    H    ASP  57           H        ASP  57  -0.169 -12.652   2.925
  438    HA   ASP  57           HA       ASP  57  -2.957 -12.636   3.736
  439   1HB   ASP  57          1HB       ASP  57  -0.756 -12.765   5.228
  440   2HB   ASP  57          1HB       ASP  57  -0.921 -11.012   5.175
  441    H    ILE  58           H        ILE  58  -1.528 -10.966   1.398
  442    HA   ILE  58           HA       ILE  58  -3.211  -8.617   1.878
  443    HB   ILE  58           HB       ILE  58  -0.409  -8.181   0.909
  444   1HG1  ILE  58          1HG1      ILE  58  -0.746  -7.402   3.666
  445   2HG1  ILE  58          1HG1      ILE  58  -0.934  -9.133   3.477
  446   1HG2  ILE  58          1HG2      ILE  58  -1.957  -6.199   2.480
  447   2HG2  ILE  58          2HG2      ILE  58  -2.452  -6.528   0.818
  448   3HG2  ILE  58          3HG2      ILE  58  -0.815  -5.963   1.157
  449   1HD1  ILE  58          1HD1      ILE  58   1.233  -9.096   2.199
  450   2HD1  ILE  58          2HD1      ILE  58   1.333  -8.784   3.928
  451   3HD1  ILE  58          3HD1      ILE  58   1.437  -7.447   2.782
  452    H    ARG  59           H        ARG  59  -4.436  -9.712  -0.027
  453    HA   ARG  59           HA       ARG  59  -2.951  -9.219  -2.491
  454   1HB   ARG  59          1HB       ARG  59  -5.248 -11.104  -2.000
  455   2HB   ARG  59          1HB       ARG  59  -4.330 -10.940  -3.490
  456   1HG   ARG  59          1HG       ARG  59  -2.291 -11.582  -2.094
  457   2HG   ARG  59          1HG       ARG  59  -3.453 -12.086  -0.865
  458   1HD   ARG  59          1HD       ARG  59  -2.694 -13.916  -2.395
  459   2HD   ARG  59          1HD       ARG  59  -4.436 -13.681  -2.326
  460    HE   ARG  59           HE       ARG  59  -4.341 -12.657  -4.485
  461   1HH1  ARG  59          1HH1      ARG  59  -1.346 -14.164  -3.482
  462   2HH1  ARG  59          2HH1      ARG  59  -0.737 -14.297  -5.096
  463   1HH2  ARG  59          1HH2      ARG  59  -3.527 -12.832  -6.598
  464   2HH2  ARG  59          2HH2      ARG  59  -1.969 -13.542  -6.860
  465    H    PHE  60           H        PHE  60  -5.256  -7.845  -0.672
  466    HA   PHE  60           HA       PHE  60  -6.373  -6.291  -2.821
  467   1HB   PHE  60          1HB       PHE  60  -8.084  -7.640  -0.719
  468   2HB   PHE  60          1HB       PHE  60  -8.654  -6.584  -2.003
  469    HD1  PHE  60          1HD       PHE  60  -9.102  -7.422  -4.153
  470    HD2  PHE  60          2HD       PHE  60  -7.232  -9.897  -1.245
  471    HE1  PHE  60          1HE       PHE  60  -9.480  -9.388  -5.584
  472    HE2  PHE  60          2HE       PHE  60  -7.608 -11.869  -2.668
  473    HZ   PHE  60           HZ       PHE  60  -8.734 -11.615  -4.845
  474    H    VAL  61           H        VAL  61  -7.055  -4.346  -2.190
  475    HA   VAL  61           HA       VAL  61  -5.974  -3.498   0.399
  476    HB   VAL  61           HB       VAL  61  -5.185  -1.635  -0.598
  477   1HG1  VAL  61          1HG1      VAL  61  -5.015  -3.889  -2.385
  478   2HG1  VAL  61          2HG1      VAL  61  -3.754  -2.874  -1.692
  479   3HG1  VAL  61          3HG1      VAL  61  -4.643  -2.330  -3.115
  480   1HG2  VAL  61          1HG2      VAL  61  -6.826  -0.377  -1.496
  481   2HG2  VAL  61          2HG2      VAL  61  -7.548  -1.753  -2.326
  482   3HG2  VAL  61          3HG2      VAL  61  -6.117  -0.973  -2.996
  483    H    TYR  62           H        TYR  62  -7.370  -2.700   1.886
  484    HA   TYR  62           HA       TYR  62 -10.017  -1.865   0.960
  485   1HB   TYR  62          1HB       TYR  62  -9.236  -2.999   3.642
  486   2HB   TYR  62          1HB       TYR  62 -10.865  -2.551   3.152
  487    HD1  TYR  62          1HD       TYR  62 -12.227  -4.310   2.576
  488    HD2  TYR  62          2HD       TYR  62  -8.058  -4.621   1.753
  489    HE1  TYR  62          1HE       TYR  62 -12.577  -6.560   1.647
  490    HE2  TYR  62          2HE       TYR  62  -8.399  -6.860   0.846
  491    HH   TYR  62           HH       TYR  62  -9.881  -8.602   0.701
  492    H    THR  63           H        THR  63 -10.140   0.212   0.824
  493    HA   THR  63           HA       THR  63  -9.302   1.871   3.118
  494    HB   THR  63           HB       THR  63  -7.923   2.359   1.186
  495    HG1  THR  63          1HG       THR  63  -8.045   4.323   1.795
  496   1HG2  THR  63          1HG2      THR  63  -8.793   3.233  -0.877
  497   2HG2  THR  63          2HG2      THR  63 -10.446   3.067  -0.284
  498   3HG2  THR  63          3HG2      THR  63  -9.469   1.630  -0.583
  499    HA   PRO  64           HA       PRO  64 -13.456   3.267   3.769
  500   1HB   PRO  64          1HB       PRO  64 -12.363   6.012   4.032
  501   2HB   PRO  64          1HB       PRO  64 -13.304   5.052   5.178
  502   1HG   PRO  64          1HG       PRO  64 -10.698   5.433   5.555
  503   2HG   PRO  64          1HG       PRO  64 -11.443   3.861   5.899
  504   1HD   PRO  64          1HD       PRO  64  -9.808   4.706   3.534
  505   2HD   PRO  64          1HD       PRO  64  -9.764   3.185   4.449
  506    H    ALA  65           H        ALA  65 -15.119   3.932   2.687
  507    HA   ALA  65           HA       ALA  65 -14.905   5.317   0.192
  508   1HB   ALA  65          1HB       ALA  65 -15.880   3.026   0.286
  509   2HB   ALA  65          2HB       ALA  65 -16.907   4.241  -0.472
  510   3HB   ALA  65          3HB       ALA  65 -17.226   3.722   1.183
  511    H    MET  66           H        MET  66 -14.821   6.938   2.471
  512    HA   MET  66           HA       MET  66 -17.472   7.982   2.950
  513   1HB   MET  66          1HB       MET  66 -14.908   8.158   4.215
  514   2HB   MET  66          1HB       MET  66 -15.514   9.783   3.922
  515   1HG   MET  66          1HG       MET  66 -17.716   8.572   4.937
  516   2HG   MET  66          1HG       MET  66 -16.425   7.733   5.795
  517   1HE   MET  66          1HE       MET  66 -16.473   8.932   8.480
  518   2HE   MET  66          2HE       MET  66 -15.060   9.964   8.259
  519   3HE   MET  66          3HE       MET  66 -15.150   8.404   7.440
  520    H    GLU  67           H        GLU  67 -17.722  10.459   2.816
  521    HA   GLU  67           HA       GLU  67 -17.576  11.193   0.091
  522   1HB   GLU  67          1HB       GLU  67 -18.697  12.267   2.533
  523   2HB   GLU  67          1HB       GLU  67 -17.992  13.543   1.551
  524   1HG   GLU  67          1HG       GLU  67 -19.335  12.274  -0.358
  525   2HG   GLU  67          1HG       GLU  67 -20.328  11.810   1.023
  526    H    SER  68           H        SER  68 -16.173  13.025   2.812
  527    HA   SER  68           HA       SER  68 -14.112  14.060   1.032
  528   1HB   SER  68          1HB       SER  68 -15.489  15.395   2.825
  529   2HB   SER  68          1HB       SER  68 -14.285  14.755   3.942
  530    HG   SER  68           HG       SER  68 -12.782  15.973   3.052
  531    H    VAL  69           H        VAL  69 -14.037  11.267   1.787
  532    HA   VAL  69           HA       VAL  69 -11.887  11.001   3.700
  533    HB   VAL  69           HB       VAL  69 -13.824   9.365   3.341
  534   1HG1  VAL  69          1HG1      VAL  69 -13.936   8.860   1.113
  535   2HG1  VAL  69          2HG1      VAL  69 -13.046   7.477   1.734
  536   3HG1  VAL  69          3HG1      VAL  69 -12.189   8.784   0.926
  537   1HG2  VAL  69          1HG2      VAL  69 -11.416   7.719   3.310
  538   2HG2  VAL  69          2HG2      VAL  69 -12.676   7.871   4.534
  539   3HG2  VAL  69          3HG2      VAL  69 -11.380   9.062   4.455
  540    H    CYS  70           H        CYS  70 -10.219   9.245   2.895
  541    HA   CYS  70           HA       CYS  70  -8.861  10.402   0.599
  542   1HB   CYS  70          1HB       CYS  70  -7.625   8.272   2.267
  543   2HB   CYS  70          1HB       CYS  70  -6.885   9.704   1.569
  544    H    GLY  71           H        GLY  71  -9.492   7.174   1.919
  545   1HA   GLY  71          2HA       GLY  71 -10.039   5.239   0.824
  546   2HA   GLY  71          1HA       GLY  71 -10.470   6.230  -0.566
  547    H    TYR  72           H        TYR  72  -9.272   5.992  -2.253
  548    HA   TYR  72           HA       TYR  72  -6.483   6.067  -2.198
  549   1HB   TYR  72          1HB       TYR  72  -6.815   3.793  -1.320
  550   2HB   TYR  72          1HB       TYR  72  -7.560   3.338  -2.854
  551    HD1  TYR  72          1HD       TYR  72  -4.458   4.609  -1.331
  552    HD2  TYR  72          2HD       TYR  72  -6.198   2.657  -4.668
  553    HE1  TYR  72          1HE       TYR  72  -2.218   4.088  -2.163
  554    HE2  TYR  72          2HE       TYR  72  -3.958   2.124  -5.528
  555    HH   TYR  72           HH       TYR  72  -1.722   1.945  -4.867
  556    H    PHE  73           H        PHE  73  -7.134   7.712  -3.730
  557    HA   PHE  73           HA       PHE  73  -8.416   7.006  -6.130
  558   1HB   PHE  73          1HB       PHE  73  -6.820   9.353  -5.236
  559   2HB   PHE  73          1HB       PHE  73  -7.104   9.162  -6.963
  560    HD1  PHE  73          1HD       PHE  73  -8.478  10.212  -3.832
  561    HD2  PHE  73          2HD       PHE  73  -9.494   8.976  -7.776
  562    HE1  PHE  73          1HE       PHE  73 -10.706  11.222  -3.570
  563    HE2  PHE  73          2HE       PHE  73 -11.724   9.986  -7.522
  564    HZ   PHE  73           HZ       PHE  73 -12.331  11.111  -5.417
  565    H    HIS  74           H        HIS  74  -7.591   5.220  -6.990
  566    HA   HIS  74           HA       HIS  74  -4.784   5.224  -7.818
  567   1HB   HIS  74          1HB       HIS  74  -5.339   3.272  -6.635
  568   2HB   HIS  74          1HB       HIS  74  -6.855   3.071  -7.494
  569    HD1  HIS  74          1HD       HIS  74  -3.809   1.457  -7.229
  570    HD2  HIS  74          2HD       HIS  74  -6.016   2.716 -10.512
  571    HE1  HIS  74          1HE       HIS  74  -3.002   0.070  -9.150
  572    HE2  HIS  74          2HE       HIS  74  -4.255   0.936 -11.153
  573    H    ARG  75           H        ARG  75  -4.301   5.941  -9.721
  574    HA   ARG  75           HA       ARG  75  -6.184   5.586 -11.968
  575   1HB   ARG  75          1HB       ARG  75  -4.207   7.720 -11.258
  576   2HB   ARG  75          1HB       ARG  75  -4.569   7.435 -12.948
  577   1HG   ARG  75          1HG       ARG  75  -5.895   9.139 -11.257
  578   2HG   ARG  75          1HG       ARG  75  -6.463   8.581 -12.825
  579   1HD   ARG  75          1HD       ARG  75  -7.074   6.718 -10.670
  580   2HD   ARG  75          1HD       ARG  75  -7.764   8.311 -10.412
  581    HE   ARG  75           HE       ARG  75  -8.374   7.702 -13.004
  582   1HH1  ARG  75          1HH1      ARG  75  -8.931   6.187  -9.910
  583   2HH1  ARG  75          2HH1      ARG  75 -10.426   5.460 -10.395
  584   1HH2  ARG  75          1HH2      ARG  75 -10.342   6.749 -13.641
  585   2HH2  ARG  75          2HH2      ARG  75 -11.227   5.778 -12.513
  586    H    SER  76           H        SER  76  -5.231   3.349 -12.164
  587    HA   SER  76           HA       SER  76  -3.105   3.388 -14.101
  588   1HB   SER  76          1HB       SER  76  -2.610   2.368 -11.317
  589   2HB   SER  76          1HB       SER  76  -1.782   1.623 -12.683
  590    HG   SER  76           HG       SER  76  -1.554   4.217 -11.656
  591    H    HIS  77           H        HIS  77  -3.935   2.141 -15.620
  592    HA   HIS  77           HA       HIS  77  -5.600  -0.149 -14.978
  593   1HB   HIS  77          1HB       HIS  77  -6.082  -0.270 -17.327
  594   2HB   HIS  77          1HB       HIS  77  -6.155   1.421 -16.851
  595    HD1  HIS  77          1HD       HIS  77  -3.164   2.162 -17.074
  596    HD2  HIS  77          2HD       HIS  77  -5.232  -0.080 -19.893
  597    HE1  HIS  77          1HE       HIS  77  -1.898   2.454 -19.221
  598    HE2  HIS  77          2HE       HIS  77  -3.135   1.045 -20.903
  599    H    ASN  78           H        ASN  78  -2.380   0.489 -15.497
  600    HA   ASN  78           HA       ASN  78  -1.529  -1.865 -16.820
  601   1HB   ASN  78          1HB       ASN  78  -0.252   0.384 -16.297
  602   2HB   ASN  78          1HB       ASN  78   0.301  -0.518 -14.890
  603   1HD2  ASN  78          1HD2      ASN  78  -0.288  -1.322 -18.294
  604   2HD2  ASN  78          2HD2      ASN  78   1.265  -2.026 -18.575
  605    H    ARG  79           H        ARG  79  -1.884  -3.856 -16.086
  606    HA   ARG  79           HA       ARG  79  -2.022  -4.454 -13.278
  607   1HB   ARG  79          1HB       ARG  79  -2.375  -6.817 -14.153
  608   2HB   ARG  79          1HB       ARG  79  -3.587  -5.624 -14.587
  609   1HG   ARG  79          1HG       ARG  79  -1.641  -5.599 -16.623
  610   2HG   ARG  79          1HG       ARG  79  -1.986  -7.289 -16.259
  611   1HD   ARG  79          1HD       ARG  79  -4.315  -6.978 -16.658
  612   2HD   ARG  79          1HD       ARG  79  -4.122  -5.230 -16.778
  613    HE   ARG  79           HE       ARG  79  -2.657  -5.825 -18.790
  614   1HH1  ARG  79          1HH1      ARG  79  -5.491  -7.639 -17.826
  615   2HH1  ARG  79          2HH1      ARG  79  -5.794  -8.236 -19.422
  616   1HH2  ARG  79          1HH2      ARG  79  -3.069  -6.612 -20.878
  617   2HH2  ARG  79          2HH2      ARG  79  -4.425  -7.656 -21.150
  618    H    SER  80           H        SER  80   0.453  -4.370 -15.569
  619    HA   SER  80           HA       SER  80   2.121  -6.285 -14.091
  620   1HB   SER  80          1HB       SER  80   3.688  -5.958 -16.063
  621   2HB   SER  80          1HB       SER  80   2.137  -6.699 -16.454
  622    HG   SER  80           HG       SER  80   1.465  -4.837 -17.374
  623    H    GLU  81           H        GLU  81   1.403  -3.011 -14.046
  624    HA   GLU  81           HA       GLU  81   4.146  -2.168 -13.601
  625   1HB   GLU  81          1HB       GLU  81   2.063  -0.706 -14.402
  626   2HB   GLU  81          1HB       GLU  81   1.928  -0.423 -12.672
  627   1HG   GLU  81          1HG       GLU  81   4.268   0.328 -12.631
  628   2HG   GLU  81          1HG       GLU  81   4.359   0.091 -14.375
  629    H    GLU  82           H        GLU  82   5.201  -2.337 -11.783
  630    HA   GLU  82           HA       GLU  82   4.109  -3.509  -9.443
  631   1HB   GLU  82          1HB       GLU  82   6.805  -2.199  -9.497
  632   2HB   GLU  82          1HB       GLU  82   6.286  -3.646  -8.644
  633   1HG   GLU  82          1HG       GLU  82   7.059  -4.915 -10.277
  634   2HG   GLU  82          1HG       GLU  82   5.993  -4.114 -11.429
  635    H    PHE  83           H        PHE  83   4.732  -2.413  -7.206
  636    HA   PHE  83           HA       PHE  83   4.598   0.406  -7.190
  637   1HB   PHE  83          1HB       PHE  83   2.064  -1.080  -6.892
  638   2HB   PHE  83          1HB       PHE  83   2.357   0.178  -5.698
  639    HD1  PHE  83          1HD       PHE  83   3.249   2.432  -6.716
  640    HD2  PHE  83          2HD       PHE  83   0.963  -0.446  -8.876
  641    HE1  PHE  83          1HE       PHE  83   2.549   4.172  -8.302
  642    HE2  PHE  83          2HE       PHE  83   0.275   1.293 -10.462
  643    HZ   PHE  83           HZ       PHE  83   1.066   3.606 -10.178
  644    H    LEU  84           H        LEU  84   4.006   1.118  -4.930
  645    HA   LEU  84           HA       LEU  84   5.272  -0.631  -2.892
  646   1HB   LEU  84          1HB       LEU  84   7.056   0.827  -3.558
  647   2HB   LEU  84          1HB       LEU  84   6.038   2.239  -3.413
  648    HG   LEU  84           HG       LEU  84   7.791   1.771  -1.593
  649   1HD1  LEU  84          1HD1      LEU  84   5.031   2.271  -0.557
  650   2HD1  LEU  84          2HD1      LEU  84   5.849   3.428  -1.606
  651   3HD1  LEU  84          3HD1      LEU  84   6.558   2.994  -0.050
  652   1HD2  LEU  84          1HD2      LEU  84   6.980   0.418   0.276
  653   2HD2  LEU  84          2HD2      LEU  84   7.256  -0.550  -1.172
  654   3HD2  LEU  84          3HD2      LEU  84   5.614  -0.108  -0.707
  655    H    ILE  85           H        ILE  85   3.560  -1.041  -1.592
  656    HA   ILE  85           HA       ILE  85   1.769   1.162  -0.934
  657    HB   ILE  85           HB       ILE  85   1.494  -1.833  -0.565
  658   1HG1  ILE  85          1HG1      ILE  85   1.599  -1.086  -2.929
  659   2HG1  ILE  85          1HG1      ILE  85   0.041  -1.782  -2.500
  660   1HG2  ILE  85          1HG2      ILE  85  -1.038  -0.882  -0.554
  661   2HG2  ILE  85          2HG2      ILE  85  -0.195   0.456   0.230
  662   3HG2  ILE  85          3HG2      ILE  85  -0.089  -1.169   0.905
  663   1HD1  ILE  85          1HD1      ILE  85  -0.883   0.475  -2.273
  664   2HD1  ILE  85          2HD1      ILE  85  -0.249   0.165  -3.891
  665   3HD1  ILE  85          3HD1      ILE  85   0.676   1.135  -2.752
  666    H    ALA  86           H        ALA  86   1.898   2.094   0.917
  667    HA   ALA  86           HA       ALA  86   2.982   0.752   3.355
  668   1HB   ALA  86          1HB       ALA  86   2.292   3.684   3.319
  669   2HB   ALA  86          2HB       ALA  86   3.842   3.135   2.681
  670   3HB   ALA  86          3HB       ALA  86   3.422   2.821   4.364
  671    H    GLY  87           H        GLY  87   1.388  -0.151   4.535
  672   1HA   GLY  87          2HA       GLY  87  -0.981   1.217   5.307
  673   2HA   GLY  87          1HA       GLY  87  -1.351   0.054   4.048
  674    H    LYS  88           H        LYS  88  -2.036   0.273   6.984
  675    HA   LYS  88           HA       LYS  88  -0.867  -1.999   8.296
  676   1HB   LYS  88          1HB       LYS  88  -3.221  -0.254   9.025
  677   2HB   LYS  88          1HB       LYS  88  -2.625  -1.547  10.037
  678   1HG   LYS  88          1HG       LYS  88  -1.538   0.156  11.020
  679   2HG   LYS  88          1HG       LYS  88  -0.382  -0.161   9.741
  680   1HD   LYS  88          1HD       LYS  88  -0.650   2.130   9.635
  681   2HD   LYS  88          1HD       LYS  88  -1.735   1.544   8.377
  682   1HE   LYS  88          1HE       LYS  88  -2.991   3.145   9.539
  683   2HE   LYS  88          1HE       LYS  88  -3.555   1.597  10.166
  684   1HZ   LYS  88          1HZ       LYS  88  -2.895   2.141  12.200
  685   2HZ   LYS  88          2HZ       LYS  88  -2.628   3.714  11.637
  686   3HZ   LYS  88          3HZ       LYS  88  -1.354   2.601  11.674
  687    H    LEU  89           H        LEU  89  -2.557  -3.586   9.381
  688    HA   LEU  89           HA       LEU  89  -4.374  -4.546   7.231
  689   1HB   LEU  89          1HB       LEU  89  -2.517  -6.006   8.999
  690   2HB   LEU  89          1HB       LEU  89  -4.068  -6.767   8.724
  691    HG   LEU  89           HG       LEU  89  -2.007  -6.061   6.642
  692   1HD1  LEU  89          1HD1      LEU  89  -1.798  -8.117   8.173
  693   2HD1  LEU  89          2HD1      LEU  89  -1.690  -8.376   6.432
  694   3HD1  LEU  89          3HD1      LEU  89  -3.187  -8.746   7.289
  695   1HD2  LEU  89          1HD2      LEU  89  -4.826  -6.285   6.362
  696   2HD2  LEU  89          2HD2      LEU  89  -4.059  -7.664   5.585
  697   3HD2  LEU  89          3HD2      LEU  89  -3.606  -6.033   5.117
  698    H    GLN  90           H        GLN  90  -6.403  -5.343   7.695
  699    HA   GLN  90           HA       GLN  90  -7.437  -4.968  10.416
  700   1HB   GLN  90          1HB       GLN  90  -8.289  -3.514   8.361
  701   2HB   GLN  90          1HB       GLN  90  -9.260  -4.947   8.055
  702   1HG   GLN  90          1HG       GLN  90  -9.329  -4.031  10.827
  703   2HG   GLN  90          1HG       GLN  90  -9.962  -2.866   9.666
  704   1HE2  GLN  90          1HE2      GLN  90 -11.392  -3.980   7.945
  705   2HE2  GLN  90          2HE2      GLN  90 -12.593  -5.052   8.573
  706    H    ASP  91           H        ASP  91  -7.630  -6.912  11.343
  707    HA   ASP  91           HA       ASP  91  -7.700  -9.235  11.475
  708   1HB   ASP  91          1HB       ASP  91 -10.289  -8.112  10.572
  709   2HB   ASP  91          1HB       ASP  91 -10.134  -9.866  10.526
  710    H    GLY  92           H        GLY  92  -6.416  -8.396   8.979
  711   1HA   GLY  92          2HA       GLY  92  -5.621 -10.367   7.593
  712   2HA   GLY  92          1HA       GLY  92  -7.323 -10.570   7.205
  713    H    LEU  93           H        LEU  93  -8.313  -8.300   6.573
  714    HA   LEU  93           HA       LEU  93  -7.218  -7.730   4.063
  715   1HB   LEU  93          1HB       LEU  93  -9.267  -6.043   5.467
  716   2HB   LEU  93          1HB       LEU  93  -9.103  -6.341   3.749
  717    HG   LEU  93           HG       LEU  93  -9.841  -8.501   5.705
  718   1HD1  LEU  93          1HD1      LEU  93 -11.497  -6.686   5.804
  719   2HD1  LEU  93          2HD1      LEU  93 -12.155  -8.160   5.091
  720   3HD1  LEU  93          3HD1      LEU  93 -11.706  -6.804   4.057
  721   1HD2  LEU  93          1HD2      LEU  93 -10.736  -8.612   2.923
  722   2HD2  LEU  93          2HD2      LEU  93 -10.016  -9.862   3.939
  723   3HD2  LEU  93          3HD2      LEU  93  -8.986  -8.680   3.131
  724    H    LEU  94           H        LEU  94  -6.097  -6.151   3.271
  725    HA   LEU  94           HA       LEU  94  -4.547  -4.455   4.953
  726   1HB   LEU  94          1HB       LEU  94  -3.666  -5.413   2.889
  727   2HB   LEU  94          1HB       LEU  94  -4.853  -4.529   1.956
  728    HG   LEU  94           HG       LEU  94  -3.785  -2.401   2.762
  729   1HD1  LEU  94          1HD1      LEU  94  -2.635  -3.729   4.700
  730   2HD1  LEU  94          2HD1      LEU  94  -1.804  -2.372   3.939
  731   3HD1  LEU  94          3HD1      LEU  94  -1.387  -4.025   3.488
  732   1HD2  LEU  94          1HD2      LEU  94  -1.570  -3.732   1.417
  733   2HD2  LEU  94          2HD2      LEU  94  -2.593  -2.402   0.875
  734   3HD2  LEU  94          3HD2      LEU  94  -3.135  -4.067   0.678
  735    H    HIS  95           H        HIS  95  -4.441  -2.165   4.871
  736    HA   HIS  95           HA       HIS  95  -6.836  -0.820   3.885
  737   1HB   HIS  95          1HB       HIS  95  -5.889  -0.834   6.736
  738   2HB   HIS  95          1HB       HIS  95  -6.811   0.521   6.094
  739    HD1  HIS  95          1HD       HIS  95  -9.167   0.314   6.772
  740    HD2  HIS  95          2HD       HIS  95  -7.492  -3.389   5.921
  741    HE1  HIS  95          1HE       HIS  95 -11.025  -1.352   7.078
  742    HE2  HIS  95          2HE       HIS  95  -9.992  -3.585   6.534
  743    H    ILE  96           H        ILE  96  -6.513   1.202   3.143
  744    HA   ILE  96           HA       ILE  96  -4.048   2.605   3.759
  745    HB   ILE  96           HB       ILE  96  -3.440   2.831   1.305
  746   1HG1  ILE  96          1HG1      ILE  96  -5.616   1.858   0.518
  747   2HG1  ILE  96          1HG1      ILE  96  -4.182   1.166  -0.231
  748   1HG2  ILE  96          1HG2      ILE  96  -2.183   0.687   1.284
  749   2HG2  ILE  96          2HG2      ILE  96  -3.103   0.178   2.697
  750   3HG2  ILE  96          3HG2      ILE  96  -2.035   1.578   2.799
  751   1HD1  ILE  96          1HD1      ILE  96  -5.973  -0.049   1.836
  752   2HD1  ILE  96          2HD1      ILE  96  -4.366  -0.684   1.490
  753   3HD1  ILE  96          3HD1      ILE  96  -5.589  -0.624   0.230
  754    H    THR  97           H        THR  97  -3.837   4.612   2.393
  755    HA   THR  97           HA       THR  97  -6.467   5.829   2.017
  756    HB   THR  97           HB       THR  97  -5.023   7.967   2.753
  757    HG1  THR  97          1HG       THR  97  -3.897   6.669   4.702
  758   1HG2  THR  97          1HG2      THR  97  -6.844   7.740   4.045
  759   2HG2  THR  97          2HG2      THR  97  -5.680   7.082   5.194
  760   3HG2  THR  97          3HG2      THR  97  -6.652   5.997   4.199
  761    H    THR  98           H        THR  98  -5.341   8.326   1.108
  762    HA   THR  98           HA       THR  98  -4.282   7.651  -1.492
  763    HB   THR  98           HB       THR  98  -6.348   8.618  -2.170
  764    HG1  THR  98          1HG       THR  98  -4.376   9.599  -3.039
  765   1HG2  THR  98          1HG2      THR  98  -5.940  10.498   0.084
  766   2HG2  THR  98          2HG2      THR  98  -7.359   9.570  -0.373
  767   3HG2  THR  98          3HG2      THR  98  -6.901  10.988  -1.310
  768    H    CYS  99           H        CYS  99  -3.844   8.471   1.413
  769    HA   CYS  99           HA       CYS  99  -1.851  10.589   1.063
  770   1HB   CYS  99          1HB       CYS  99  -3.981  10.358   2.999
  771   2HB   CYS  99          1HB       CYS  99  -2.425  10.751   3.738
  772    H    SER 100           H        SER 100  -2.325   7.524   2.372
  773    HA   SER 100           HA       SER 100  -0.072   7.444   4.093
  774   1HB   SER 100          1HB       SER 100  -2.045   5.567   3.182
  775   2HB   SER 100          1HB       SER 100  -0.447   4.845   3.006
  776    HG   SER 100           HG       SER 100  -1.794   5.662   5.312
  777    H    PHE 101           H        PHE 101   2.064   6.522   3.666
  778    HA   PHE 101           HA       PHE 101   3.176   7.421   1.292
  779   1HB   PHE 101          1HB       PHE 101   4.425   6.792   3.392
  780   2HB   PHE 101          1HB       PHE 101   4.300   5.115   2.872
  781    HD1  PHE 101          1HD       PHE 101   6.415   7.841   2.961
  782    HD2  PHE 101          2HD       PHE 101   5.054   4.824   0.277
  783    HE1  PHE 101          1HE       PHE 101   8.444   8.134   1.602
  784    HE2  PHE 101          2HE       PHE 101   7.084   5.114  -1.080
  785    HZ   PHE 101           HZ       PHE 101   8.782   6.771  -0.419
  786    H    VAL 102           H        VAL 102   2.299   6.731  -0.660
  787    HA   VAL 102           HA       VAL 102   2.544   3.871  -1.244
  788    HB   VAL 102           HB       VAL 102  -0.013   5.390  -1.772
  789   1HG1  VAL 102          1HG1      VAL 102  -0.539   2.707  -1.989
  790   2HG1  VAL 102          2HG1      VAL 102   1.069   2.864  -2.703
  791   3HG1  VAL 102          3HG1      VAL 102  -0.266   3.827  -3.325
  792   1HG2  VAL 102          1HG2      VAL 102   0.854   3.942   0.586
  793   2HG2  VAL 102          2HG2      VAL 102  -0.609   3.256  -0.108
  794   3HG2  VAL 102          3HG2      VAL 102  -0.563   4.960   0.343
  795    H    ALA 103           H        ALA 103   4.005   4.054  -2.901
  796    HA   ALA 103           HA       ALA 103   3.025   5.193  -5.389
  797   1HB   ALA 103          1HB       ALA 103   4.937   6.625  -3.729
  798   2HB   ALA 103          2HB       ALA 103   3.960   7.189  -5.084
  799   3HB   ALA 103          3HB       ALA 103   5.498   6.379  -5.383
  800    HA   PRO 104           HA       PRO 104   5.446   2.292  -7.674
  801   1HB   PRO 104          1HB       PRO 104   7.105   4.494  -8.786
  802   2HB   PRO 104          1HB       PRO 104   6.262   3.192  -9.628
  803   1HG   PRO 104          1HG       PRO 104   5.245   5.641  -9.639
  804   2HG   PRO 104          1HG       PRO 104   4.168   4.255  -9.376
  805   1HD   PRO 104          1HD       PRO 104   5.279   6.197  -7.375
  806   2HD   PRO 104          1HD       PRO 104   3.648   5.501  -7.475
  807    H    TRP 105           H        TRP 105   6.880   0.986  -6.699
  808    HA   TRP 105           HA       TRP 105   9.056   1.639  -5.134
  809   1HB   TRP 105          1HB       TRP 105   8.235  -0.675  -5.724
  810   2HB   TRP 105          1HB       TRP 105   9.030  -0.515  -7.257
  811    HD1  TRP 105           HD       TRP 105  11.213  -1.734  -7.317
  812    HE1  TRP 105          1HE       TRP 105  13.073  -2.298  -5.658
  813    HE3  TRP 105          3HE       TRP 105   9.288   0.498  -3.134
  814    HZ2  TRP 105          2HZ       TRP 105  13.662  -1.868  -2.919
  815    HZ3  TRP 105          3HZ       TRP 105  10.583   0.380  -1.034
  816    HH2  TRP 105           HH       TRP 105  12.721  -0.770  -0.960
  817    H    ASN 106           H        ASN 106   8.802   1.048  -8.508
  818    HA   ASN 106           HA       ASN 106  11.290   1.731  -9.330
  819   1HB   ASN 106          1HB       ASN 106   8.697   1.698 -10.801
  820   2HB   ASN 106          1HB       ASN 106  10.196   2.121 -11.619
  821   1HD2  ASN 106          1HD2      ASN 106  11.189   0.528 -12.585
  822   2HD2  ASN 106          2HD2      ASN 106  11.068  -1.148 -12.185
  823    H    SER 107           H        SER 107   9.818   3.820  -7.689
  824    HA   SER 107           HA       SER 107  10.721   6.096  -9.281
  825   1HB   SER 107          1HB       SER 107   8.192   6.034  -9.164
  826   2HB   SER 107          1HB       SER 107   8.347   6.296  -7.426
  827    HG   SER 107           HG       SER 107   9.439   8.247  -7.898
  828    H    LEU 108           H        LEU 108  10.947   4.328  -6.611
  829    HA   LEU 108           HA       LEU 108  11.649   6.211  -4.633
  830   1HB   LEU 108          1HB       LEU 108  11.619   3.315  -4.985
  831   2HB   LEU 108          1HB       LEU 108  12.768   3.891  -3.803
  832    HG   LEU 108           HG       LEU 108  11.135   4.016  -2.278
  833   1HD1  LEU 108          1HD1      LEU 108   9.094   5.462  -2.707
  834   2HD1  LEU 108          2HD1      LEU 108   9.838   5.859  -4.254
  835   3HD1  LEU 108          3HD1      LEU 108  10.666   6.257  -2.748
  836   1HD2  LEU 108          1HD2      LEU 108  10.202   2.155  -3.614
  837   2HD2  LEU 108          2HD2      LEU 108   9.157   3.321  -4.420
  838   3HD2  LEU 108          3HD2      LEU 108   9.003   3.052  -2.684
  839    H    SER 109           H        SER 109  13.554   6.634  -3.717
  840    HA   SER 109           HA       SER 109  15.792   7.020  -5.473
  841   1HB   SER 109          1HB       SER 109  15.994   7.158  -2.480
  842   2HB   SER 109          1HB       SER 109  16.817   8.126  -3.690
  843    HG   SER 109           HG       SER 109  14.188   8.534  -3.938
  844    H    LEU 110           H        LEU 110  17.113   5.623  -6.040
  845    HA   LEU 110           HA       LEU 110  17.400   3.051  -5.513
  846   1HB   LEU 110          1HB       LEU 110  19.941   3.435  -5.772
  847   2HB   LEU 110          1HB       LEU 110  18.852   3.842  -7.051
  848    HG   LEU 110           HG       LEU 110  20.824   5.431  -6.180
  849   1HD1  LEU 110          1HD1      LEU 110  18.387   5.863  -7.754
  850   2HD1  LEU 110          2HD1      LEU 110  20.082   6.005  -8.220
  851   3HD1  LEU 110          3HD1      LEU 110  19.314   7.290  -7.288
  852   1HD2  LEU 110          1HD2      LEU 110  18.377   6.465  -4.840
  853   2HD2  LEU 110          2HD2      LEU 110  19.816   7.414  -5.165
  854   3HD2  LEU 110          3HD2      LEU 110  19.915   6.024  -4.092
  855    H    ALA 111           H        ALA 111  18.396   5.556  -3.327
  856    HA   ALA 111           HA       ALA 111  19.644   3.748  -1.504
  857   1HB   ALA 111          1HB       ALA 111  20.554   5.585  -0.534
  858   2HB   ALA 111          2HB       ALA 111  19.057   6.514  -0.688
  859   3HB   ALA 111          3HB       ALA 111  20.123   6.312  -2.087
  860    H    GLN 112           H        GLN 112  16.671   5.561  -1.910
  861    HA   GLN 112           HA       GLN 112  15.628   4.694   0.615
  862   1HB   GLN 112          1HB       GLN 112  15.167   6.959  -0.302
  863   2HB   GLN 112          1HB       GLN 112  14.380   6.212  -1.686
  864   1HG   GLN 112          1HG       GLN 112  12.622   5.378  -0.351
  865   2HG   GLN 112          1HG       GLN 112  13.472   5.795   1.137
  866   1HE2  GLN 112          1HE2      GLN 112  12.052   7.210  -1.770
  867   2HE2  GLN 112          2HE2      GLN 112  11.567   8.694  -1.031
  868    H    ARG 113           H        ARG 113  16.211   3.302  -2.234
  869    HA   ARG 113           HA       ARG 113  13.781   1.721  -2.342
  870   1HB   ARG 113          1HB       ARG 113  15.570   2.363  -4.315
  871   2HB   ARG 113          1HB       ARG 113  16.157   0.786  -3.802
  872   1HG   ARG 113          1HG       ARG 113  14.547  -0.238  -4.921
  873   2HG   ARG 113          1HG       ARG 113  13.318   0.703  -4.073
  874   1HD   ARG 113          1HD       ARG 113  12.860   1.746  -5.935
  875   2HD   ARG 113          1HD       ARG 113  14.487   2.443  -5.923
  876    HE   ARG 113           HE       ARG 113  13.516   0.551  -7.751
  877   1HH1  ARG 113          1HH1      ARG 113  16.379   1.144  -5.834
  878   2HH1  ARG 113          2HH1      ARG 113  17.414   0.242  -6.884
  879   1HH2  ARG 113          1HH2      ARG 113  14.892  -0.613  -9.134
  880   2HH2  ARG 113          2HH2      ARG 113  16.576  -0.745  -8.755
  881    H    ARG 114           H        ARG 114  17.196   1.708  -1.416
  882    HA   ARG 114           HA       ARG 114  16.976  -0.953  -0.350
  883   1HB   ARG 114          1HB       ARG 114  19.169  -0.816   0.343
  884   2HB   ARG 114          1HB       ARG 114  19.185   0.299  -1.014
  885   1HG   ARG 114          1HG       ARG 114  20.408   1.338   0.675
  886   2HG   ARG 114          1HG       ARG 114  18.831   2.116   0.729
  887   1HD   ARG 114          1HD       ARG 114  18.242   1.088   2.690
  888   2HD   ARG 114          1HD       ARG 114  19.294  -0.280   2.420
  889    HE   ARG 114           HE       ARG 114  20.877   0.825   3.634
  890   1HH1  ARG 114          1HH1      ARG 114  18.690   3.191   2.285
  891   2HH1  ARG 114          2HH1      ARG 114  19.489   4.536   3.025
  892   1HH2  ARG 114          1HH2      ARG 114  21.922   2.598   4.615
  893   2HH2  ARG 114          2HH2      ARG 114  21.320   4.200   4.348
  894    H    GLY 115           H        GLY 115  16.995   2.331   0.896
  895   1HA   GLY 115          2HA       GLY 115  16.828   2.025   3.566
  896   2HA   GLY 115          1HA       GLY 115  15.895   3.238   2.714
  897    H    PHE 116           H        PHE 116  14.135   1.312   1.292
  898    HA   PHE 116           HA       PHE 116  12.533   0.773   3.645
  899   1HB   PHE 116          1HB       PHE 116  12.016   0.463   0.688
  900   2HB   PHE 116          1HB       PHE 116  10.941  -0.289   1.858
  901    HD1  PHE 116          1HD       PHE 116  12.410   2.998   0.960
  902    HD2  PHE 116          2HD       PHE 116   9.159   0.909   2.698
  903    HE1  PHE 116          1HE       PHE 116  11.165   5.109   1.143
  904    HE2  PHE 116          2HE       PHE 116   7.902   3.010   2.903
  905    HZ   PHE 116           HZ       PHE 116   8.903   5.115   2.119
  906    H    THR 117           H        THR 117  13.732  -1.137   0.948
  907    HA   THR 117           HA       THR 117  13.164  -3.622   1.887
  908    HB   THR 117           HB       THR 117  14.235  -2.904  -0.342
  909    HG1  THR 117          1HG       THR 117  13.792  -5.158   0.564
  910   1HG2  THR 117          1HG2      THR 117  16.306  -2.025   0.551
  911   2HG2  THR 117          2HG2      THR 117  16.600  -3.360  -0.558
  912   3HG2  THR 117          3HG2      THR 117  16.723  -3.609   1.184
  913    H    LYS 118           H        LYS 118  15.502  -1.496   3.246
  914    HA   LYS 118           HA       LYS 118  16.393  -3.712   4.962
  915   1HB   LYS 118          1HB       LYS 118  18.350  -3.651   3.887
  916   2HB   LYS 118          1HB       LYS 118  17.908  -2.179   3.042
  917   1HG   LYS 118          1HG       LYS 118  18.999  -0.842   4.518
  918   2HG   LYS 118          1HG       LYS 118  18.783  -1.955   5.872
  919   1HD   LYS 118          1HD       LYS 118  21.033  -2.183   5.461
  920   2HD   LYS 118          1HD       LYS 118  20.369  -3.499   4.492
  921   1HE   LYS 118          1HE       LYS 118  20.347  -1.244   2.833
  922   2HE   LYS 118          1HE       LYS 118  21.897  -1.203   3.665
  923   1HZ   LYS 118          1HZ       LYS 118  22.477  -3.286   2.818
  924   2HZ   LYS 118          2HZ       LYS 118  21.773  -2.489   1.503
  925   3HZ   LYS 118          3HZ       LYS 118  20.892  -3.655   2.353
  926    H    THR 119           H        THR 119  16.459  -0.210   4.625
  927    HA   THR 119           HA       THR 119  17.388   0.078   7.333
  928    HB   THR 119           HB       THR 119  16.841   2.497   5.883
  929    HG1  THR 119          1HG       THR 119  17.454   1.856   3.999
  930   1HG2  THR 119          1HG2      THR 119  18.960   3.010   6.515
  931   2HG2  THR 119          2HG2      THR 119  19.588   1.444   5.976
  932   3HG2  THR 119          3HG2      THR 119  18.818   1.594   7.563
  933    H    TYR 120           H        TYR 120  14.157   0.589   6.007
  934    HA   TYR 120           HA       TYR 120  13.812   2.704   7.925
  935   1HB   TYR 120          1HB       TYR 120  11.996   1.574   5.827
  936   2HB   TYR 120          1HB       TYR 120  11.575   2.872   6.919
  937    HD1  TYR 120          1HD       TYR 120  14.053   4.420   7.073
  938    HD2  TYR 120          2HD       TYR 120  12.138   2.633   3.725
  939    HE1  TYR 120          1HE       TYR 120  15.089   6.087   5.603
  940    HE2  TYR 120          2HE       TYR 120  13.182   4.297   2.243
  941    HH   TYR 120           HH       TYR 120  14.146   6.932   2.830
  942    H    THR 121           H        THR 121  12.700  -0.600   7.662
  943    HA   THR 121           HA       THR 121  10.640  -0.587   9.447
  944    HB   THR 121           HB       THR 121  10.586  -2.723   8.927
  945    HG1  THR 121          1HG       THR 121  12.892  -3.757   9.803
  946   1HG2  THR 121          1HG2      THR 121  12.450  -1.861   7.204
  947   2HG2  THR 121          2HG2      THR 121  11.832  -3.509   7.250
  948   3HG2  THR 121          3HG2      THR 121  13.355  -3.117   8.046
  949    H    VAL 122           H        VAL 122  13.800  -0.222  10.036
  950    HA   VAL 122           HA       VAL 122  13.478  -0.319  12.973
  951    HB   VAL 122           HB       VAL 122  16.159  -0.769  11.725
  952   1HG1  VAL 122          1HG1      VAL 122  16.802  -1.520  13.857
  953   2HG1  VAL 122          2HG1      VAL 122  15.130  -1.714  14.384
  954   3HG1  VAL 122          3HG1      VAL 122  15.801  -0.099  14.159
  955   1HG2  VAL 122          1HG2      VAL 122  13.961  -2.578  11.586
  956   2HG2  VAL 122          2HG2      VAL 122  15.145  -3.225  12.721
  957   3HG2  VAL 122          3HG2      VAL 122  15.629  -2.829  11.073
  958    H    GLY 123           H        GLY 123  14.770   1.379  10.203
  959   1HA   GLY 123          2HA       GLY 123  15.412   3.645  11.981
  960   2HA   GLY 123          1HA       GLY 123  16.463   3.191  10.647
  961    H    CYS 124           H        CYS 124  13.014   3.021  10.477
  962    HA   CYS 124           HA       CYS 124  12.587   4.160   8.094
  963   1HB   CYS 124          1HB       CYS 124  10.319   4.669   8.818
  964   2HB   CYS 124          1HB       CYS 124  10.874   3.127   9.454
  965    H    GLU 125           H        GLU 125  13.085   5.952  11.064
  966    HA   GLU 125           HA       GLU 125  12.417   8.492  10.651
  967   1HB   GLU 125          1HB       GLU 125  14.802   9.058  11.598
  968   2HB   GLU 125          1HB       GLU 125  13.604   8.234  12.587
  969   1HG   GLU 125          1HG       GLU 125  14.678   6.066  11.758
  970   2HG   GLU 125          1HG       GLU 125  16.009   7.094  11.220
  971    H    GLU 126           H        GLU 126  12.242   8.964   8.466
  972    HA   GLU 126           HA       GLU 126  14.042   8.876   6.460
  973   1HB   GLU 126          1HB       GLU 126  12.882  10.675   5.405
  974   2HB   GLU 126          1HB       GLU 126  11.702   9.765   6.338
  975   1HG   GLU 126          1HG       GLU 126  12.989  12.356   7.177
  976   2HG   GLU 126          1HG       GLU 126  11.357  12.169   6.535
  Start of MODEL   27
    1   1H    CYS   1          1HT       CYS   1 -10.058  13.800   0.831
    2   2H    CYS   1          2HT       CYS   1  -9.804  14.988   2.043
    3   3H    CYS   1          3HT       CYS   1 -10.943  13.731   2.295
    4    HA   CYS   1           HA       CYS   1  -8.905  13.379   3.512
    5   1HB   CYS   1          1HB       CYS   1 -10.390  11.598   2.115
    6   2HB   CYS   1          1HB       CYS   1  -8.814  11.289   1.429
    7    H    THR   2           H        THR   2  -8.494  13.846   0.073
    8    HA   THR   2           HA       THR   2  -5.926  12.920  -0.182
    9    HB   THR   2           HB       THR   2  -7.216  13.463  -2.131
   10    HG1  THR   2          1HG       THR   2  -5.371  13.823  -3.026
   11   1HG2  THR   2          1HG2      THR   2  -7.140  16.143  -2.571
   12   2HG2  THR   2          2HG2      THR   2  -7.523  16.068  -0.851
   13   3HG2  THR   2          3HG2      THR   2  -8.552  15.242  -2.022
   14    H    CYS   3           H        CYS   3  -4.121  13.470   0.737
   15    HA   CYS   3           HA       CYS   3  -3.547  16.287   1.381
   16   1HB   CYS   3          1HB       CYS   3  -2.417  15.560   3.424
   17   2HB   CYS   3          1HB       CYS   3  -4.082  15.006   3.444
   18    H    VAL   4           H        VAL   4  -0.932  15.940   2.209
   19    HA   VAL   4           HA       VAL   4   0.300  15.057  -0.305
   20    HB   VAL   4           HB       VAL   4   2.079  16.534   0.041
   21   1HG1  VAL   4          1HG1      VAL   4  -0.423  17.853   1.074
   22   2HG1  VAL   4          2HG1      VAL   4   0.091  17.713  -0.606
   23   3HG1  VAL   4          3HG1      VAL   4   1.010  18.717   0.515
   24   1HG2  VAL   4          1HG2      VAL   4   1.177  16.802   2.906
   25   2HG2  VAL   4          2HG2      VAL   4   2.468  17.746   2.163
   26   3HG2  VAL   4          3HG2      VAL   4   2.636  15.997   2.326
   27    HA   PRO   5           HA       PRO   5   2.554  11.550   1.032
   28   1HB   PRO   5          1HB       PRO   5   4.994  13.234   0.613
   29   2HB   PRO   5          1HB       PRO   5   4.683  11.569   0.116
   30   1HG   PRO   5          1HG       PRO   5   4.464  13.545  -1.638
   31   2HG   PRO   5          1HG       PRO   5   3.296  12.210  -1.637
   32   1HD   PRO   5          1HD       PRO   5   2.962  15.016  -0.733
   33   2HD   PRO   5          1HD       PRO   5   1.758  13.886  -1.381
   34    HA   PRO   6           HA       PRO   6   3.647  12.695   5.293
   35   1HB   PRO   6          1HB       PRO   6   2.558  10.425   6.361
   36   2HB   PRO   6          1HB       PRO   6   1.630  11.882   6.003
   37   1HG   PRO   6          1HG       PRO   6   1.460   9.306   4.735
   38   2HG   PRO   6          1HG       PRO   6   0.490  10.752   4.422
   39   1HD   PRO   6          1HD       PRO   6   2.817   9.702   2.947
   40   2HD   PRO   6          1HD       PRO   6   1.536  10.806   2.406
   41    H    HIS   7           H        HIS   7   5.542  12.349   6.209
   42    HA   HIS   7           HA       HIS   7   7.601  11.091   5.409
   43   1HB   HIS   7          1HB       HIS   7   7.529  10.407   8.191
   44   2HB   HIS   7          1HB       HIS   7   8.452  11.665   7.386
   45    HD1  HIS   7          1HD       HIS   7   5.068  11.101   8.991
   46    HD2  HIS   7          2HD       HIS   7   7.621  14.209   7.950
   47    HE1  HIS   7          1HE       HIS   7   4.051  13.170   9.997
   48    HE2  HIS   7          2HE       HIS   7   5.594  15.045   9.322
   49    HA   PRO   8           HA       PRO   8   6.951   6.712   5.090
   50   1HB   PRO   8          1HB       PRO   8   9.466   6.072   4.459
   51   2HB   PRO   8          1HB       PRO   8   8.430   6.928   3.309
   52   1HG   PRO   8          1HG       PRO   8  10.420   8.072   5.242
   53   2HG   PRO   8          1HG       PRO   8  10.310   8.359   3.491
   54   1HD   PRO   8          1HD       PRO   8   9.249  10.101   5.226
   55   2HD   PRO   8          1HD       PRO   8   8.392   9.679   3.725
   56    H    GLN   9           H        GLN   9   9.029   8.426   7.249
   57    HA   GLN   9           HA       GLN   9  10.122   6.218   8.636
   58   1HB   GLN   9          1HB       GLN   9  10.454   7.879  10.449
   59   2HB   GLN   9          1HB       GLN   9  11.065   8.436   8.904
   60   1HG   GLN   9          1HG       GLN   9   9.933  10.309   9.299
   61   2HG   GLN   9          1HG       GLN   9   8.501   9.373   8.898
   62   1HE2  GLN   9          1HE2      GLN   9   7.361  10.849  10.261
   63   2HE2  GLN   9          2HE2      GLN   9   7.361  10.623  11.973
   64    H    THR  10           H        THR  10   7.111   8.070   8.734
   65    HA   THR  10           HA       THR  10   6.247   6.703  11.095
   66    HB   THR  10           HB       THR  10   5.626   9.165   9.582
   67    HG1  THR  10          1HG       THR  10   4.911   8.902  12.234
   68   1HG2  THR  10          1HG2      THR  10   3.443   9.059   9.390
   69   2HG2  THR  10          2HG2      THR  10   3.313   8.833  11.138
   70   3HG2  THR  10          3HG2      THR  10   3.424   7.431  10.078
   71    H    ALA  11           H        ALA  11   5.549   7.143   7.595
   72    HA   ALA  11           HA       ALA  11   3.295   5.517   7.421
   73   1HB   ALA  11          1HB       ALA  11   4.514   7.102   5.734
   74   2HB   ALA  11          2HB       ALA  11   3.502   5.759   5.195
   75   3HB   ALA  11          3HB       ALA  11   5.257   5.585   5.220
   76    H    PHE  12           H        PHE  12   6.772   4.716   7.115
   77    HA   PHE  12           HA       PHE  12   6.249   1.992   6.505
   78   1HB   PHE  12          1HB       PHE  12   8.496   3.447   6.294
   79   2HB   PHE  12          1HB       PHE  12   8.823   2.666   7.837
   80    HD1  PHE  12          1HD       PHE  12   7.915   1.973   4.309
   81    HD2  PHE  12          2HD       PHE  12   9.595   0.466   7.908
   82    HE1  PHE  12          1HE       PHE  12   8.648  -0.053   3.117
   83    HE2  PHE  12          2HE       PHE  12  10.349  -1.551   6.725
   84    HZ   PHE  12           HZ       PHE  12   9.870  -1.817   4.323
   85    H    CYS  13           H        CYS  13   7.791   3.312   9.452
   86    HA   CYS  13           HA       CYS  13   7.493   1.046  10.959
   87   1HB   CYS  13          1HB       CYS  13   8.067   3.911  11.556
   88   2HB   CYS  13          1HB       CYS  13   7.827   2.781  12.880
   89    H    ASN  14           H        ASN  14   4.943   3.483  10.435
   90    HA   ASN  14           HA       ASN  14   3.731   2.629  12.915
   91   1HB   ASN  14          1HB       ASN  14   3.732   5.049  12.065
   92   2HB   ASN  14          1HB       ASN  14   2.592   4.501  10.839
   93   1HD2  ASN  14          1HD2      ASN  14   0.500   4.211  11.366
   94   2HD2  ASN  14          2HD2      ASN  14  -0.156   4.498  12.939
   95    H    SER  15           H        SER  15   3.461   2.256   9.403
   96    HA   SER  15           HA       SER  15   0.980   1.022   9.431
   97   1HB   SER  15          1HB       SER  15   2.710   1.986   7.519
   98   2HB   SER  15          1HB       SER  15   2.615   0.266   7.209
   99    HG   SER  15           HG       SER  15   0.859   0.843   6.232
  100    H    ASP  16           H        ASP  16   0.486  -0.883   9.253
  101    HA   ASP  16           HA       ASP  16   2.263  -2.949  10.201
  102   1HB   ASP  16          1HB       ASP  16  -0.592  -2.364  10.367
  103   2HB   ASP  16          1HB       ASP  16  -0.173  -4.078  10.331
  104    H    LEU  17           H        LEU  17   1.722  -2.022   7.333
  105    HA   LEU  17           HA       LEU  17   2.360  -4.501   6.234
  106   1HB   LEU  17          1HB       LEU  17  -0.459  -4.018   6.227
  107   2HB   LEU  17          1HB       LEU  17   0.138  -4.082   4.574
  108    HG   LEU  17           HG       LEU  17   0.698  -6.193   6.657
  109   1HD1  LEU  17          1HD1      LEU  17  -1.152  -7.320   6.089
  110   2HD1  LEU  17          2HD1      LEU  17  -1.029  -6.876   4.389
  111   3HD1  LEU  17          3HD1      LEU  17  -1.744  -5.752   5.543
  112   1HD2  LEU  17          1HD2      LEU  17   2.181  -5.707   4.516
  113   2HD2  LEU  17          2HD2      LEU  17   0.919  -6.659   3.740
  114   3HD2  LEU  17          3HD2      LEU  17   1.845  -7.347   5.071
  115    H    VAL  18           H        VAL  18   3.849  -4.024   4.827
  116    HA   VAL  18           HA       VAL  18   3.403  -1.806   2.976
  117    HB   VAL  18           HB       VAL  18   6.100  -2.282   4.233
  118   1HG1  VAL  18          1HG1      VAL  18   5.438   0.372   3.214
  119   2HG1  VAL  18          2HG1      VAL  18   5.345  -0.895   1.991
  120   3HG1  VAL  18          3HG1      VAL  18   6.836  -0.654   2.898
  121   1HG2  VAL  18          1HG2      VAL  18   5.641  -1.053   6.041
  122   2HG2  VAL  18          2HG2      VAL  18   3.938  -1.254   5.640
  123   3HG2  VAL  18          3HG2      VAL  18   4.809   0.176   5.090
  124    H    ILE  19           H        ILE  19   3.712  -2.541   0.950
  125    HA   ILE  19           HA       ILE  19   5.750  -4.544   0.430
  126    HB   ILE  19           HB       ILE  19   4.256  -6.195  -0.450
  127   1HG1  ILE  19          1HG1      ILE  19   2.551  -4.568  -1.315
  128   2HG1  ILE  19          1HG1      ILE  19   1.864  -5.981  -0.531
  129   1HG2  ILE  19          1HG2      ILE  19   4.607  -5.908   2.113
  130   2HG2  ILE  19          2HG2      ILE  19   3.457  -7.084   1.504
  131   3HG2  ILE  19          3HG2      ILE  19   2.889  -5.530   2.111
  132   1HD1  ILE  19          1HD1      ILE  19   1.480  -4.646   1.493
  133   2HD1  ILE  19          2HD1      ILE  19   0.648  -3.989   0.083
  134   3HD1  ILE  19          3HD1      ILE  19   2.125  -3.232   0.665
  135    H    ARG  20           H        ARG  20   5.894  -5.148  -1.764
  136    HA   ARG  20           HA       ARG  20   5.135  -3.000  -3.587
  137   1HB   ARG  20          1HB       ARG  20   6.826  -4.160  -5.163
  138   2HB   ARG  20          1HB       ARG  20   7.427  -3.194  -3.827
  139   1HG   ARG  20          1HG       ARG  20   7.753  -5.250  -2.529
  140   2HG   ARG  20          1HG       ARG  20   7.240  -6.188  -3.935
  141   1HD   ARG  20          1HD       ARG  20   9.518  -4.223  -4.027
  142   2HD   ARG  20          1HD       ARG  20   9.745  -5.915  -3.608
  143    HE   ARG  20           HE       ARG  20   9.358  -6.508  -5.805
  144   1HH1  ARG  20          1HH1      ARG  20   8.703  -3.100  -5.376
  145   2HH1  ARG  20          2HH1      ARG  20   8.757  -2.756  -7.070
  146   1HH2  ARG  20          1HH2      ARG  20   9.445  -6.043  -8.025
  147   2HH2  ARG  20          2HH2      ARG  20   9.200  -4.418  -8.570
  148    H    ALA  21           H        ALA  21   3.846  -3.273  -5.057
  149    HA   ALA  21           HA       ALA  21   3.110  -5.863  -6.196
  150   1HB   ALA  21          1HB       ALA  21   0.695  -5.620  -5.614
  151   2HB   ALA  21          2HB       ALA  21   1.156  -4.317  -4.518
  152   3HB   ALA  21          3HB       ALA  21   1.766  -5.948  -4.253
  153    H    LYS  22           H        LYS  22   1.172  -5.731  -7.479
  154    HA   LYS  22           HA       LYS  22   1.051  -3.370  -9.233
  155   1HB   LYS  22          1HB       LYS  22   1.396  -6.234  -9.768
  156   2HB   LYS  22          1HB       LYS  22   0.182  -5.476 -10.775
  157   1HG   LYS  22          1HG       LYS  22   1.776  -4.249 -11.892
  158   2HG   LYS  22          1HG       LYS  22   2.853  -4.185 -10.495
  159   1HD   LYS  22          1HD       LYS  22   2.643  -6.900 -11.169
  160   2HD   LYS  22          1HD       LYS  22   2.829  -6.045 -12.699
  161   1HE   LYS  22          1HE       LYS  22   4.981  -5.680 -12.301
  162   2HE   LYS  22          1HE       LYS  22   4.610  -4.965 -10.733
  163   1HZ   LYS  22          1HZ       LYS  22   5.054  -6.876  -9.651
  164   2HZ   LYS  22          2HZ       LYS  22   6.017  -7.185 -11.007
  165   3HZ   LYS  22          3HZ       LYS  22   4.473  -7.866 -10.894
  166    H    PHE  23           H        PHE  23  -1.072  -2.769  -9.919
  167    HA   PHE  23           HA       PHE  23  -3.225  -3.950  -8.306
  168   1HB   PHE  23          1HB       PHE  23  -2.826  -1.335  -9.694
  169   2HB   PHE  23          1HB       PHE  23  -4.472  -1.949  -9.599
  170    HD1  PHE  23          1HD       PHE  23  -5.744  -1.555  -7.719
  171    HD2  PHE  23          2HD       PHE  23  -1.510  -1.202  -7.480
  172    HE1  PHE  23          1HE       PHE  23  -5.952  -0.665  -5.436
  173    HE2  PHE  23          2HE       PHE  23  -1.711  -0.313  -5.193
  174    HZ   PHE  23           HZ       PHE  23  -3.935  -0.044  -4.169
  175    H    VAL  24           H        VAL  24  -4.482  -5.326  -9.009
  176    HA   VAL  24           HA       VAL  24  -4.905  -5.579 -11.881
  177    HB   VAL  24           HB       VAL  24  -4.635  -7.974 -11.593
  178   1HG1  VAL  24          1HG1      VAL  24  -2.788  -6.341 -12.206
  179   2HG1  VAL  24          2HG1      VAL  24  -2.324  -7.977 -11.743
  180   3HG1  VAL  24          3HG1      VAL  24  -2.175  -6.654 -10.583
  181   1HG2  VAL  24          1HG2      VAL  24  -4.136  -7.219  -8.775
  182   2HG2  VAL  24          2HG2      VAL  24  -3.342  -8.640  -9.453
  183   3HG2  VAL  24          3HG2      VAL  24  -5.101  -8.544  -9.423
  184    H    GLY  25           H        GLY  25  -6.734  -4.406 -10.149
  185   1HA   GLY  25          2HA       GLY  25  -9.093  -5.794 -10.727
  186   2HA   GLY  25          1HA       GLY  25  -8.716  -6.023  -9.033
  187    H    THR  26           H        THR  26 -11.018  -4.736  -9.725
  188    HA   THR  26           HA       THR  26 -10.463  -1.872  -9.290
  189    HB   THR  26           HB       THR  26 -11.818  -2.527 -11.285
  190    HG1  THR  26          1HG       THR  26 -12.195  -0.495 -10.602
  191   1HG2  THR  26          1HG2      THR  26 -14.352  -2.865 -10.278
  192   2HG2  THR  26          2HG2      THR  26 -13.366  -3.951  -9.300
  193   3HG2  THR  26          3HG2      THR  26 -13.359  -4.096 -11.058
  194    HA   PRO  27           HA       PRO  27 -11.958  -2.057  -5.158
  195   1HB   PRO  27          1HB       PRO  27 -12.962   0.436  -4.823
  196   2HB   PRO  27          1HB       PRO  27 -11.240   0.081  -4.915
  197   1HG   PRO  27          1HG       PRO  27 -13.068   1.105  -7.043
  198   2HG   PRO  27          1HG       PRO  27 -11.422   1.626  -6.639
  199   1HD   PRO  27          1HD       PRO  27 -11.954  -0.028  -8.709
  200   2HD   PRO  27          1HD       PRO  27 -10.451  -0.125  -7.777
  201    H    GLU  28           H        GLU  28 -13.588  -2.930  -4.194
  202    HA   GLU  28           HA       GLU  28 -16.272  -2.673  -5.338
  203   1HB   GLU  28          1HB       GLU  28 -14.886  -4.685  -3.742
  204   2HB   GLU  28          1HB       GLU  28 -16.494  -4.323  -3.124
  205   1HG   GLU  28          1HG       GLU  28 -17.484  -5.391  -4.792
  206   2HG   GLU  28          1HG       GLU  28 -16.475  -4.593  -5.998
  207    H    VAL  29           H        VAL  29 -17.469  -1.032  -4.655
  208    HA   VAL  29           HA       VAL  29 -16.912   0.088  -2.009
  209    HB   VAL  29           HB       VAL  29 -18.624   1.414  -4.056
  210   1HG1  VAL  29          1HG1      VAL  29 -18.446   3.237  -2.768
  211   2HG1  VAL  29          2HG1      VAL  29 -16.739   2.957  -2.428
  212   3HG1  VAL  29          3HG1      VAL  29 -17.975   2.099  -1.506
  213   1HG2  VAL  29          1HG2      VAL  29 -16.184   2.564  -4.437
  214   2HG2  VAL  29          2HG2      VAL  29 -16.900   1.341  -5.487
  215   3HG2  VAL  29          3HG2      VAL  29 -15.754   0.866  -4.235
  216    H    ASN  30           H        ASN  30 -18.231  -1.011  -0.494
  217    HA   ASN  30           HA       ASN  30 -21.011  -1.452  -1.007
  218   1HB   ASN  30          1HB       ASN  30 -19.402  -2.425   0.901
  219   2HB   ASN  30          1HB       ASN  30 -20.105  -1.088   1.795
  220   1HD2  ASN  30          1HD2      ASN  30 -21.802  -1.584   2.941
  221   2HD2  ASN  30          2HD2      ASN  30 -22.970  -2.800   2.564
  222    H    GLN  31           H        GLN  31 -22.725  -0.326  -0.184
  223    HA   GLN  31           HA       GLN  31 -22.399   2.543  -0.127
  224   1HB   GLN  31          1HB       GLN  31 -24.910   0.943   0.351
  225   2HB   GLN  31          1HB       GLN  31 -24.817   2.633  -0.143
  226   1HG   GLN  31          1HG       GLN  31 -23.719   0.435  -1.842
  227   2HG   GLN  31          1HG       GLN  31 -25.428   0.865  -1.887
  228   1HE2  GLN  31          1HE2      GLN  31 -22.171   2.033  -2.442
  229   2HE2  GLN  31          2HE2      GLN  31 -22.606   3.326  -3.502
  230    H    THR  32           H        THR  32 -22.173   0.105   2.110
  231    HA   THR  32           HA       THR  32 -22.712   1.988   4.277
  232    HB   THR  32           HB       THR  32 -24.067  -0.590   3.631
  233    HG1  THR  32          1HG       THR  32 -25.827   0.587   4.521
  234   1HG2  THR  32          1HG2      THR  32 -24.068   0.341   6.483
  235   2HG2  THR  32          2HG2      THR  32 -23.011  -0.951   5.918
  236   3HG2  THR  32          3HG2      THR  32 -24.756  -1.129   5.797
  237    H    THR  33           H        THR  33 -20.170   1.355   3.330
  238    HA   THR  33           HA       THR  33 -19.199  -0.479   5.390
  239    HB   THR  33           HB       THR  33 -18.218  -1.402   3.564
  240    HG1  THR  33          1HG       THR  33 -16.572  -0.349   4.798
  241   1HG2  THR  33          1HG2      THR  33 -18.059  -0.610   1.438
  242   2HG2  THR  33          2HG2      THR  33 -17.700   1.024   1.986
  243   3HG2  THR  33          3HG2      THR  33 -19.352   0.427   2.033
  244    H    LEU  34           H        LEU  34 -18.363   2.234   3.320
  245    HA   LEU  34           HA       LEU  34 -17.588   4.341   4.013
  246   1HB   LEU  34          1HB       LEU  34 -17.327   2.916   6.569
  247   2HB   LEU  34          1HB       LEU  34 -16.089   4.062   6.211
  248    HG   LEU  34           HG       LEU  34 -19.029   4.681   6.192
  249   1HD1  LEU  34          1HD1      LEU  34 -17.391   5.850   8.293
  250   2HD1  LEU  34          2HD1      LEU  34 -17.496   4.089   8.379
  251   3HD1  LEU  34          3HD1      LEU  34 -18.968   5.063   8.385
  252   1HD2  LEU  34          1HD2      LEU  34 -18.483   6.856   5.726
  253   2HD2  LEU  34          2HD2      LEU  34 -17.167   6.041   4.871
  254   3HD2  LEU  34          3HD2      LEU  34 -16.889   6.730   6.474
  255    H    TYR  35           H        TYR  35 -16.437   1.402   3.426
  256    HA   TYR  35           HA       TYR  35 -13.903   2.383   2.433
  257   1HB   TYR  35          1HB       TYR  35 -12.872   0.102   3.241
  258   2HB   TYR  35          1HB       TYR  35 -12.855   1.546   4.229
  259    HD1  TYR  35          1HD       TYR  35 -14.622   1.861   5.929
  260    HD2  TYR  35          2HD       TYR  35 -13.860  -1.859   4.039
  261    HE1  TYR  35          1HE       TYR  35 -15.734   0.735   7.767
  262    HE2  TYR  35          2HE       TYR  35 -15.002  -3.034   5.893
  263    HH   TYR  35           HH       TYR  35 -16.881  -2.287   7.669
  264    H    GLN  36           H        GLN  36 -12.755   0.748   1.110
  265    HA   GLN  36           HA       GLN  36 -14.638  -0.902  -0.433
  266   1HB   GLN  36          1HB       GLN  36 -12.642   1.083  -1.497
  267   2HB   GLN  36          1HB       GLN  36 -13.553  -0.048  -2.494
  268   1HG   GLN  36          1HG       GLN  36 -15.468   1.144  -2.308
  269   2HG   GLN  36          1HG       GLN  36 -15.063   1.744  -0.702
  270   1HE2  GLN  36          1HE2      GLN  36 -14.165   2.045  -4.114
  271   2HE2  GLN  36          2HE2      GLN  36 -13.717   3.711  -4.030
  272    H    ARG  37           H        ARG  37 -13.179  -2.207  -2.183
  273    HA   ARG  37           HA       ARG  37 -10.619  -2.903  -0.978
  274   1HB   ARG  37          1HB       ARG  37 -11.619  -5.417  -1.596
  275   2HB   ARG  37          1HB       ARG  37 -11.356  -4.745   0.006
  276   1HG   ARG  37          1HG       ARG  37 -13.913  -4.159  -1.395
  277   2HG   ARG  37          1HG       ARG  37 -13.667  -5.752  -0.673
  278   1HD   ARG  37          1HD       ARG  37 -13.841  -4.958   1.421
  279   2HD   ARG  37          1HD       ARG  37 -12.891  -3.520   1.054
  280    HE   ARG  37           HE       ARG  37 -14.833  -2.387   0.529
  281   1HH1  ARG  37          1HH1      ARG  37 -15.535  -5.748   1.177
  282   2HH1  ARG  37          2HH1      ARG  37 -17.247  -5.499   1.228
  283   1HH2  ARG  37          1HH2      ARG  37 -17.072  -2.076   0.582
  284   2HH2  ARG  37          2HH2      ARG  37 -18.115  -3.424   0.886
  285    H    TYR  38           H        TYR  38  -9.406  -2.343  -2.606
  286    HA   TYR  38           HA       TYR  38  -9.910  -3.009  -5.369
  287   1HB   TYR  38          1HB       TYR  38  -7.359  -2.016  -4.043
  288   2HB   TYR  38          1HB       TYR  38  -7.608  -2.140  -5.773
  289    HD1  TYR  38          1HD       TYR  38  -9.480  -0.567  -2.908
  290    HD2  TYR  38          2HD       TYR  38  -7.801  -0.083  -6.795
  291    HE1  TYR  38          1HE       TYR  38 -10.222   1.778  -2.943
  292    HE2  TYR  38          2HE       TYR  38  -8.547   2.251  -6.838
  293    HH   TYR  38           HH       TYR  38  -9.123   4.037  -4.683
  294    H    GLU  39           H        GLU  39  -8.660  -4.565  -6.616
  295    HA   GLU  39           HA       GLU  39  -7.495  -6.710  -4.993
  296   1HB   GLU  39          1HB       GLU  39  -8.129  -6.789  -7.941
  297   2HB   GLU  39          1HB       GLU  39  -7.830  -8.146  -6.886
  298   1HG   GLU  39          1HG       GLU  39  -9.981  -8.316  -6.403
  299   2HG   GLU  39          1HG       GLU  39 -10.055  -6.628  -5.906
  300    H    ILE  40           H        ILE  40  -5.317  -7.355  -5.349
  301    HA   ILE  40           HA       ILE  40  -3.911  -5.801  -7.396
  302    HB   ILE  40           HB       ILE  40  -2.122  -5.454  -5.508
  303   1HG1  ILE  40          1HG1      ILE  40  -4.445  -5.022  -3.737
  304   2HG1  ILE  40          1HG1      ILE  40  -3.915  -6.687  -3.963
  305   1HG2  ILE  40          1HG2      ILE  40  -3.906  -3.371  -4.939
  306   2HG2  ILE  40          2HG2      ILE  40  -4.272  -3.871  -6.590
  307   3HG2  ILE  40          3HG2      ILE  40  -2.634  -3.385  -6.160
  308   1HD1  ILE  40          1HD1      ILE  40  -2.626  -4.466  -2.546
  309   2HD1  ILE  40          2HD1      ILE  40  -1.551  -5.485  -3.500
  310   3HD1  ILE  40          3HD1      ILE  40  -2.560  -6.201  -2.243
  311    H    LYS  41           H        LYS  41  -2.314  -6.733  -8.342
  312    HA   LYS  41           HA       LYS  41  -1.569  -9.392  -7.765
  313   1HB   LYS  41          1HB       LYS  41  -1.570  -8.386 -10.051
  314   2HB   LYS  41          1HB       LYS  41  -0.108  -7.522  -9.605
  315   1HG   LYS  41          1HG       LYS  41   0.744  -9.356 -10.694
  316   2HG   LYS  41          1HG       LYS  41   0.771  -9.909  -9.018
  317   1HD   LYS  41          1HD       LYS  41  -1.683 -10.423 -10.615
  318   2HD   LYS  41          1HD       LYS  41  -0.250 -11.387 -10.975
  319   1HE   LYS  41          1HE       LYS  41  -1.483 -11.087  -8.238
  320   2HE   LYS  41          1HE       LYS  41  -1.757 -12.447  -9.321
  321   1HZ   LYS  41          1HZ       LYS  41   0.114 -13.380  -8.642
  322   2HZ   LYS  41          2HZ       LYS  41   0.276 -12.165  -7.478
  323   3HZ   LYS  41          3HZ       LYS  41   1.019 -11.993  -8.988
  324    H    MET  42           H        MET  42  -0.845  -9.265  -5.635
  325    HA   MET  42           HA       MET  42   1.147  -7.592  -4.650
  326   1HB   MET  42          1HB       MET  42  -0.336  -9.000  -3.254
  327   2HB   MET  42          1HB       MET  42   0.571 -10.416  -3.766
  328   1HG   MET  42          1HG       MET  42   2.266  -8.309  -2.707
  329   2HG   MET  42          1HG       MET  42   1.072  -8.877  -1.549
  330   1HE   MET  42          1HE       MET  42   1.819 -12.802  -1.905
  331   2HE   MET  42          2HE       MET  42   0.571 -11.695  -2.469
  332   3HE   MET  42          3HE       MET  42   1.026 -11.713  -0.768
  333    H    THR  43           H        THR  43   3.288  -7.505  -4.875
  334    HA   THR  43           HA       THR  43   4.498  -9.550  -6.529
  335    HB   THR  43           HB       THR  43   5.726  -6.961  -5.612
  336    HG1  THR  43          1HG       THR  43   3.826  -7.424  -7.417
  337   1HG2  THR  43          1HG2      THR  43   6.608  -9.111  -7.467
  338   2HG2  THR  43          2HG2      THR  43   7.539  -8.187  -6.289
  339   3HG2  THR  43          3HG2      THR  43   7.042  -7.435  -7.805
  340    H    LYS  44           H        LYS  44   5.579  -7.750  -3.641
  341    HA   LYS  44           HA       LYS  44   6.389 -10.146  -2.272
  342   1HB   LYS  44          1HB       LYS  44   8.454  -8.040  -2.981
  343   2HB   LYS  44          1HB       LYS  44   8.714  -9.411  -1.914
  344   1HG   LYS  44          1HG       LYS  44   7.786 -10.126  -4.600
  345   2HG   LYS  44          1HG       LYS  44   9.357  -9.336  -4.547
  346   1HD   LYS  44          1HD       LYS  44  10.205 -10.992  -3.029
  347   2HD   LYS  44          1HD       LYS  44   8.605 -11.719  -2.859
  348   1HE   LYS  44          1HE       LYS  44   9.753 -13.116  -4.358
  349   2HE   LYS  44          1HE       LYS  44   8.699 -12.127  -5.368
  350   1HZ   LYS  44          1HZ       LYS  44  10.809 -12.179  -6.399
  351   2HZ   LYS  44          2HZ       LYS  44  11.618 -11.816  -4.959
  352   3HZ   LYS  44          3HZ       LYS  44  10.663 -10.639  -5.711
  353    H    MET  45           H        MET  45   6.934  -9.624  -0.006
  354    HA   MET  45           HA       MET  45   5.521  -7.218   0.890
  355   1HB   MET  45          1HB       MET  45   5.464  -8.365   3.061
  356   2HB   MET  45          1HB       MET  45   4.826  -9.386   1.774
  357   1HG   MET  45          1HG       MET  45   7.679  -9.732   2.115
  358   2HG   MET  45          1HG       MET  45   6.798 -10.066   3.595
  359   1HE   MET  45          1HE       MET  45   6.287 -12.710   3.986
  360   2HE   MET  45          2HE       MET  45   7.914 -12.340   3.422
  361   3HE   MET  45          3HE       MET  45   7.029 -13.700   2.732
  362    H    TYR  46           H        TYR  46   6.480  -5.618   2.178
  363    HA   TYR  46           HA       TYR  46   9.343  -5.914   2.803
  364   1HB   TYR  46          1HB       TYR  46   7.815  -3.592   1.673
  365   2HB   TYR  46          1HB       TYR  46   9.319  -3.338   2.553
  366    HD1  TYR  46          1HD       TYR  46  10.813  -2.605   0.897
  367    HD2  TYR  46          2HD       TYR  46   8.474  -6.079   0.177
  368    HE1  TYR  46          1HE       TYR  46  12.102  -3.047  -1.145
  369    HE2  TYR  46          2HE       TYR  46   9.755  -6.535  -1.856
  370    HH   TYR  46           HH       TYR  46  12.050  -4.242  -3.137
  371    H    LYS  47           H        LYS  47   6.527  -6.008   4.310
  372    HA   LYS  47           HA       LYS  47   7.395  -5.480   6.854
  373   1HB   LYS  47          1HB       LYS  47   7.325  -3.042   5.815
  374   2HB   LYS  47          1HB       LYS  47   5.607  -3.188   6.161
  375   1HG   LYS  47          1HG       LYS  47   7.711  -3.684   8.242
  376   2HG   LYS  47          1HG       LYS  47   7.024  -2.088   7.936
  377   1HD   LYS  47          1HD       LYS  47   4.856  -2.794   8.569
  378   2HD   LYS  47          1HD       LYS  47   5.317  -4.495   8.530
  379   1HE   LYS  47          1HE       LYS  47   5.304  -4.039  10.794
  380   2HE   LYS  47          1HE       LYS  47   7.004  -3.834  10.376
  381   1HZ   LYS  47          1HZ       LYS  47   5.434  -2.014  11.661
  382   2HZ   LYS  47          2HZ       LYS  47   5.511  -1.412  10.083
  383   3HZ   LYS  47          3HZ       LYS  47   6.935  -1.701  10.947
  384    H    GLY  48           H        GLY  48   6.066  -6.867   7.867
  385   1HA   GLY  48          2HA       GLY  48   3.570  -6.778   8.643
  386   2HA   GLY  48          1HA       GLY  48   3.296  -7.147   6.948
  387    H    PHE  49           H        PHE  49   6.159  -8.600   7.796
  388    HA   PHE  49           HA       PHE  49   5.448 -11.164   7.406
  389   1HB   PHE  49          1HB       PHE  49   7.585  -9.901   9.017
  390   2HB   PHE  49          1HB       PHE  49   7.386 -11.645   9.118
  391    HD1  PHE  49          1HD       PHE  49   7.991  -8.844   6.768
  392    HD2  PHE  49          2HD       PHE  49   8.240 -13.039   7.443
  393    HE1  PHE  49          1HE       PHE  49   9.314  -9.093   4.708
  394    HE2  PHE  49          2HE       PHE  49   9.563 -13.294   5.384
  395    HZ   PHE  49           HZ       PHE  49  10.101 -11.320   4.014
  396    H    GLN  50           H        GLN  50   5.471  -9.590  10.627
  397    HA   GLN  50           HA       GLN  50   4.638 -11.809  12.083
  398   1HB   GLN  50          1HB       GLN  50   3.687 -10.117  13.691
  399   2HB   GLN  50          1HB       GLN  50   5.375  -9.870  13.265
  400   1HG   GLN  50          1HG       GLN  50   3.897  -8.397  11.400
  401   2HG   GLN  50          1HG       GLN  50   3.136  -8.105  12.964
  402   1HE2  GLN  50          1HE2      GLN  50   6.367  -8.284  11.499
  403   2HE2  GLN  50          2HE2      GLN  50   7.025  -6.953  12.377
  404    H    ALA  51           H        ALA  51   2.867  -9.603  10.039
  405    HA   ALA  51           HA       ALA  51   0.308 -10.865  10.685
  406   1HB   ALA  51          1HB       ALA  51  -0.619  -8.900  10.242
  407   2HB   ALA  51          2HB       ALA  51   0.161  -8.837   8.661
  408   3HB   ALA  51          3HB       ALA  51   1.007  -8.239  10.088
  409    H    LEU  52           H        LEU  52   2.844 -10.956   8.517
  410    HA   LEU  52           HA       LEU  52   1.357 -12.487   6.560
  411   1HB   LEU  52          1HB       LEU  52   1.852 -10.762   5.198
  412   2HB   LEU  52          1HB       LEU  52   3.090 -10.154   6.265
  413    HG   LEU  52           HG       LEU  52   3.840 -12.592   4.807
  414   1HD1  LEU  52          1HD1      LEU  52   3.900 -10.110   3.204
  415   2HD1  LEU  52          2HD1      LEU  52   2.375 -10.986   3.294
  416   3HD1  LEU  52          3HD1      LEU  52   3.818 -11.790   2.683
  417   1HD2  LEU  52          1HD2      LEU  52   5.653 -10.593   4.336
  418   2HD2  LEU  52          2HD2      LEU  52   5.738 -11.755   5.645
  419   3HD2  LEU  52          3HD2      LEU  52   5.018 -10.166   5.913
  420    H    GLY  53           H        GLY  53   1.804 -14.236   7.715
  421   1HA   GLY  53          2HA       GLY  53   4.555 -14.928   8.279
  422   2HA   GLY  53          1HA       GLY  53   3.138 -15.785   8.832
  423    H    ASP  54           H        ASP  54   1.956 -16.096   6.311
  424    HA   ASP  54           HA       ASP  54   3.514 -18.377   5.545
  425   1HB   ASP  54          1HB       ASP  54   1.096 -18.599   5.771
  426   2HB   ASP  54          1HB       ASP  54   0.848 -17.381   4.527
  427    H    ALA  55           H        ALA  55   1.788 -16.665   3.182
  428    HA   ALA  55           HA       ALA  55   4.161 -15.517   2.007
  429   1HB   ALA  55          1HB       ALA  55   4.472 -17.620   1.092
  430   2HB   ALA  55          2HB       ALA  55   3.658 -16.724  -0.192
  431   3HB   ALA  55          3HB       ALA  55   2.750 -17.861   0.806
  432    H    ALA  56           H        ALA  56   0.707 -16.012   1.961
  433    HA   ALA  56           HA       ALA  56   0.448 -13.680   0.168
  434   1HB   ALA  56          1HB       ALA  56  -1.169 -14.692  -1.006
  435   2HB   ALA  56          2HB       ALA  56  -1.865 -15.474   0.412
  436   3HB   ALA  56          3HB       ALA  56  -0.435 -16.160  -0.360
  437    H    ASP  57           H        ASP  57   0.701 -12.782   2.625
  438    HA   ASP  57           HA       ASP  57  -1.968 -12.561   3.776
  439   1HB   ASP  57          1HB       ASP  57   0.781 -12.048   4.741
  440   2HB   ASP  57          1HB       ASP  57  -0.504 -11.056   5.431
  441    H    ILE  58           H        ILE  58  -0.984 -11.329   1.201
  442    HA   ILE  58           HA       ILE  58  -2.209  -8.708   1.584
  443    HB   ILE  58           HB       ILE  58   0.171  -8.909  -0.228
  444   1HG1  ILE  58          1HG1      ILE  58   0.856  -7.453   2.132
  445   2HG1  ILE  58          1HG1      ILE  58   0.342  -9.068   2.600
  446   1HG2  ILE  58          1HG2      ILE  58   0.052  -6.596  -0.334
  447   2HG2  ILE  58          2HG2      ILE  58  -0.828  -6.475   1.188
  448   3HG2  ILE  58          3HG2      ILE  58  -1.641  -7.077  -0.255
  449   1HD1  ILE  58          1HD1      ILE  58   2.436  -8.475   0.528
  450   2HD1  ILE  58          2HD1      ILE  58   1.987 -10.059   1.159
  451   3HD1  ILE  58          3HD1      ILE  58   2.768  -8.880   2.213
  452    H    ARG  59           H        ARG  59  -3.800  -8.597   0.146
  453    HA   ARG  59           HA       ARG  59  -3.372  -9.623  -2.521
  454   1HB   ARG  59          1HB       ARG  59  -5.466 -10.935  -0.787
  455   2HB   ARG  59          1HB       ARG  59  -5.423 -11.091  -2.537
  456   1HG   ARG  59          1HG       ARG  59  -2.838 -11.705  -1.539
  457   2HG   ARG  59          1HG       ARG  59  -4.017 -12.595  -0.586
  458   1HD   ARG  59          1HD       ARG  59  -4.023 -12.555  -3.596
  459   2HD   ARG  59          1HD       ARG  59  -3.133 -13.751  -2.654
  460    HE   ARG  59           HE       ARG  59  -5.905 -13.558  -1.932
  461   1HH1  ARG  59          1HH1      ARG  59  -3.621 -15.032  -4.123
  462   2HH1  ARG  59          2HH1      ARG  59  -4.637 -16.392  -4.463
  463   1HH2  ARG  59          1HH2      ARG  59  -7.239 -15.346  -2.378
  464   2HH2  ARG  59          2HH2      ARG  59  -6.691 -16.571  -3.473
  465    H    PHE  60           H        PHE  60  -5.453  -7.939  -0.372
  466    HA   PHE  60           HA       PHE  60  -6.431  -6.265  -2.506
  467   1HB   PHE  60          1HB       PHE  60  -8.265  -7.512  -0.446
  468   2HB   PHE  60          1HB       PHE  60  -8.729  -6.456  -1.772
  469    HD1  PHE  60          1HD       PHE  60  -9.382  -7.334  -3.800
  470    HD2  PHE  60          2HD       PHE  60  -7.290  -9.797  -1.031
  471    HE1  PHE  60          1HE       PHE  60  -9.830  -9.306  -5.209
  472    HE2  PHE  60          2HE       PHE  60  -7.732 -11.772  -2.436
  473    HZ   PHE  60           HZ       PHE  60  -9.005 -11.526  -4.531
  474    H    VAL  61           H        VAL  61  -6.978  -4.333  -1.864
  475    HA   VAL  61           HA       VAL  61  -5.939  -3.607   0.762
  476    HB   VAL  61           HB       VAL  61  -5.025  -1.741  -0.190
  477   1HG1  VAL  61          1HG1      VAL  61  -4.060  -2.403  -2.424
  478   2HG1  VAL  61          2HG1      VAL  61  -5.005  -3.879  -2.247
  479   3HG1  VAL  61          3HG1      VAL  61  -3.770  -3.477  -1.056
  480   1HG2  VAL  61          1HG2      VAL  61  -5.782  -1.149  -2.686
  481   2HG2  VAL  61          2HG2      VAL  61  -6.573  -0.462  -1.268
  482   3HG2  VAL  61          3HG2      VAL  61  -7.280  -1.853  -2.085
  483    H    TYR  62           H        TYR  62  -7.314  -2.867   2.224
  484    HA   TYR  62           HA       TYR  62  -9.923  -1.933   1.356
  485   1HB   TYR  62          1HB       TYR  62  -9.041  -2.885   4.070
  486   2HB   TYR  62          1HB       TYR  62 -10.683  -2.446   3.624
  487    HD1  TYR  62          1HD       TYR  62 -12.046  -4.283   3.483
  488    HD2  TYR  62          2HD       TYR  62  -8.043  -4.638   2.062
  489    HE1  TYR  62          1HE       TYR  62 -12.487  -6.603   2.810
  490    HE2  TYR  62          2HE       TYR  62  -8.479  -6.949   1.396
  491    HH   TYR  62           HH       TYR  62 -11.083  -8.712   2.437
  492    H    THR  63           H        THR  63  -9.973   0.099   1.054
  493    HA   THR  63           HA       THR  63  -9.005   1.964   3.127
  494    HB   THR  63           HB       THR  63  -7.755   2.164   1.062
  495    HG1  THR  63          1HG       THR  63  -8.216   4.099   2.093
  496   1HG2  THR  63          1HG2      THR  63  -8.742   1.595  -0.837
  497   2HG2  THR  63          2HG2      THR  63  -9.465   3.199  -0.825
  498   3HG2  THR  63          3HG2      THR  63 -10.353   1.832  -0.164
  499    HA   PRO  64           HA       PRO  64 -13.133   3.407   3.851
  500   1HB   PRO  64          1HB       PRO  64 -12.057   6.182   3.739
  501   2HB   PRO  64          1HB       PRO  64 -12.957   5.362   5.020
  502   1HG   PRO  64          1HG       PRO  64 -10.347   5.784   5.261
  503   2HG   PRO  64          1HG       PRO  64 -11.079   4.270   5.824
  504   1HD   PRO  64          1HD       PRO  64  -9.499   4.800   3.338
  505   2HD   PRO  64          1HD       PRO  64  -9.459   3.392   4.418
  506    H    ALA  65           H        ALA  65 -14.819   3.817   2.696
  507    HA   ALA  65           HA       ALA  65 -14.743   4.928   0.067
  508   1HB   ALA  65          1HB       ALA  65 -17.002   3.869  -0.124
  509   2HB   ALA  65          2HB       ALA  65 -16.716   3.190   1.478
  510   3HB   ALA  65          3HB       ALA  65 -15.659   2.764   0.141
  511    H    MET  66           H        MET  66 -14.953   7.092   0.207
  512    HA   MET  66           HA       MET  66 -17.569   8.071   1.024
  513   1HB   MET  66          1HB       MET  66 -15.205   8.597   2.550
  514   2HB   MET  66          1HB       MET  66 -15.731  10.097   1.799
  515   1HG   MET  66          1HG       MET  66 -17.493   8.304   3.453
  516   2HG   MET  66          1HG       MET  66 -16.646   9.722   4.067
  517   1HE   MET  66          1HE       MET  66 -16.583  11.728   2.417
  518   2HE   MET  66          2HE       MET  66 -17.965  12.616   3.057
  519   3HE   MET  66          3HE       MET  66 -17.901  12.201   1.344
  520    H    GLU  67           H        GLU  67 -17.936  10.334   0.166
  521    HA   GLU  67           HA       GLU  67 -17.428  10.424  -2.568
  522   1HB   GLU  67          1HB       GLU  67 -19.155  11.707  -1.035
  523   2HB   GLU  67          1HB       GLU  67 -17.930  12.968  -1.090
  524   1HG   GLU  67          1HG       GLU  67 -18.921  11.705  -3.611
  525   2HG   GLU  67          1HG       GLU  67 -19.843  12.983  -2.819
  526    H    SER  68           H        SER  68 -16.148  12.770  -0.198
  527    HA   SER  68           HA       SER  68 -13.922  13.309  -2.012
  528   1HB   SER  68          1HB       SER  68 -13.486  15.258  -0.573
  529   2HB   SER  68          1HB       SER  68 -15.158  15.237  -1.133
  530    HG   SER  68           HG       SER  68 -14.531  15.559   1.268
  531    H    VAL  69           H        VAL  69 -14.136  10.847  -0.368
  532    HA   VAL  69           HA       VAL  69 -12.277  10.982   1.776
  533    HB   VAL  69           HB       VAL  69 -14.047   9.147   1.203
  534   1HG1  VAL  69          1HG1      VAL  69 -12.968   7.109   0.235
  535   2HG1  VAL  69          2HG1      VAL  69 -11.694   8.168  -0.355
  536   3HG1  VAL  69          3HG1      VAL  69 -13.351   8.396  -0.903
  537   1HG2  VAL  69          1HG2      VAL  69 -11.765   7.691   2.188
  538   2HG2  VAL  69          2HG2      VAL  69 -13.263   8.130   3.007
  539   3HG2  VAL  69          3HG2      VAL  69 -11.924   9.276   2.947
  540    H    CYS  70           H        CYS  70 -10.530   9.096   1.531
  541    HA   CYS  70           HA       CYS  70  -8.663  10.010  -0.509
  542   1HB   CYS  70          1HB       CYS  70  -7.305   8.169   1.045
  543   2HB   CYS  70          1HB       CYS  70  -7.285   9.907   1.317
  544    H    GLY  71           H        GLY  71  -9.400   6.925   1.049
  545   1HA   GLY  71          2HA       GLY  71  -9.880   4.864   0.119
  546   2HA   GLY  71          1HA       GLY  71 -10.303   5.703  -1.365
  547    H    TYR  72           H        TYR  72  -8.974   5.549  -3.040
  548    HA   TYR  72           HA       TYR  72  -6.166   5.376  -2.771
  549   1HB   TYR  72          1HB       TYR  72  -6.904   3.029  -2.141
  550   2HB   TYR  72          1HB       TYR  72  -7.377   2.841  -3.826
  551    HD1  TYR  72          1HD       TYR  72  -4.627   2.912  -1.489
  552    HD2  TYR  72          2HD       TYR  72  -5.653   3.009  -5.611
  553    HE1  TYR  72          1HE       TYR  72  -2.311   2.326  -2.072
  554    HE2  TYR  72          2HE       TYR  72  -3.345   2.423  -6.212
  555    HH   TYR  72           HH       TYR  72  -1.363   1.623  -5.383
  556    H    PHE  73           H        PHE  73  -6.489   7.138  -4.203
  557    HA   PHE  73           HA       PHE  73  -7.691   6.846  -6.709
  558   1HB   PHE  73          1HB       PHE  73  -5.935   8.826  -5.422
  559   2HB   PHE  73          1HB       PHE  73  -5.863   8.800  -7.179
  560    HD1  PHE  73          1HD       PHE  73  -7.401  10.002  -8.396
  561    HD2  PHE  73          2HD       PHE  73  -8.324   8.929  -4.383
  562    HE1  PHE  73          1HE       PHE  73  -9.450  11.353  -8.514
  563    HE2  PHE  73          2HE       PHE  73 -10.379  10.279  -4.492
  564    HZ   PHE  73           HZ       PHE  73 -10.945  11.493  -6.559
  565    H    HIS  74           H        HIS  74  -7.046   4.965  -7.597
  566    HA   HIS  74           HA       HIS  74  -4.245   4.668  -8.348
  567   1HB   HIS  74          1HB       HIS  74  -5.057   2.669  -7.461
  568   2HB   HIS  74          1HB       HIS  74  -6.604   2.816  -8.281
  569    HD1  HIS  74          1HD       HIS  74  -6.748   0.899  -9.863
  570    HD2  HIS  74          2HD       HIS  74  -2.957   2.605  -9.830
  571    HE1  HIS  74          1HE       HIS  74  -5.432  -0.344 -11.612
  572    HE2  HIS  74          2HE       HIS  74  -3.155   0.732 -11.601
  573    H    ARG  75           H        ARG  75  -3.805   5.941  -9.996
  574    HA   ARG  75           HA       ARG  75  -5.507   5.819 -12.396
  575   1HB   ARG  75          1HB       ARG  75  -3.838   7.935 -11.144
  576   2HB   ARG  75          1HB       ARG  75  -3.893   7.899 -12.900
  577   1HG   ARG  75          1HG       ARG  75  -6.422   7.905 -12.668
  578   2HG   ARG  75          1HG       ARG  75  -6.148   8.324 -10.972
  579   1HD   ARG  75          1HD       ARG  75  -5.255  10.370 -11.479
  580   2HD   ARG  75          1HD       ARG  75  -4.725   9.856 -13.081
  581    HE   ARG  75           HE       ARG  75  -6.809  10.392 -13.925
  582   1HH1  ARG  75          1HH1      ARG  75  -6.856  10.613 -10.438
  583   2HH1  ARG  75          2HH1      ARG  75  -8.381  11.431 -10.389
  584   1HH2  ARG  75          1HH2      ARG  75  -8.814  11.468 -13.856
  585   2HH2  ARG  75          2HH2      ARG  75  -9.492  11.915 -12.326
  586    H    SER  76           H        SER  76  -4.185   3.639 -12.475
  587    HA   SER  76           HA       SER  76  -1.889   4.186 -14.211
  588   1HB   SER  76          1HB       SER  76  -1.957   2.449 -11.768
  589   2HB   SER  76          1HB       SER  76  -0.897   2.002 -13.104
  590    HG   SER  76           HG       SER  76  -0.574   3.919 -11.244
  591    H    HIS  77           H        HIS  77  -2.942   3.635 -16.092
  592    HA   HIS  77           HA       HIS  77  -4.725   1.568 -16.540
  593   1HB   HIS  77          1HB       HIS  77  -3.980   1.676 -18.923
  594   2HB   HIS  77          1HB       HIS  77  -4.325   3.255 -18.230
  595    HD1  HIS  77          1HD       HIS  77  -2.096   4.628 -17.442
  596    HD2  HIS  77          2HD       HIS  77  -1.536   1.473 -20.091
  597    HE1  HIS  77          1HE       HIS  77   0.177   4.992 -18.452
  598    HE2  HIS  77          2HE       HIS  77   0.504   3.063 -20.039
  599    H    ASN  78           H        ASN  78  -1.255   1.549 -16.469
  600    HA   ASN  78           HA       ASN  78  -0.843  -1.076 -17.436
  601   1HB   ASN  78          1HB       ASN  78   0.804   0.951 -17.083
  602   2HB   ASN  78          1HB       ASN  78   1.084   0.174 -15.530
  603   1HD2  ASN  78          1HD2      ASN  78   1.569   0.027 -18.928
  604   2HD2  ASN  78          2HD2      ASN  78   2.614  -1.349 -18.940
  605    H    ARG  79           H        ARG  79  -1.729  -2.829 -16.456
  606    HA   ARG  79           HA       ARG  79  -2.006  -2.979 -13.589
  607   1HB   ARG  79          1HB       ARG  79  -2.853  -5.336 -14.167
  608   2HB   ARG  79          1HB       ARG  79  -3.807  -3.962 -14.705
  609   1HG   ARG  79          1HG       ARG  79  -3.047  -4.200 -16.941
  610   2HG   ARG  79          1HG       ARG  79  -1.821  -5.376 -16.464
  611   1HD   ARG  79          1HD       ARG  79  -3.273  -7.035 -16.733
  612   2HD   ARG  79          1HD       ARG  79  -4.370  -6.291 -15.570
  613    HE   ARG  79           HE       ARG  79  -4.870  -4.893 -17.813
  614   1HH1  ARG  79          1HH1      ARG  79  -4.696  -8.322 -17.179
  615   2HH1  ARG  79          2HH1      ARG  79  -5.846  -8.734 -18.406
  616   1HH2  ARG  79          1HH2      ARG  79  -6.386  -5.436 -19.426
  617   2HH2  ARG  79          2HH2      ARG  79  -6.806  -7.096 -19.681
  618    H    SER  80           H        SER  80   0.431  -3.596 -15.733
  619    HA   SER  80           HA       SER  80   1.704  -5.685 -14.093
  620   1HB   SER  80          1HB       SER  80   3.390  -5.616 -16.083
  621   2HB   SER  80          1HB       SER  80   1.806  -6.345 -16.347
  622    HG   SER  80           HG       SER  80   1.749  -4.970 -17.947
  623    H    GLU  81           H        GLU  81   1.551  -2.412 -14.131
  624    HA   GLU  81           HA       GLU  81   4.388  -1.923 -13.735
  625   1HB   GLU  81          1HB       GLU  81   2.695  -0.190 -14.621
  626   2HB   GLU  81          1HB       GLU  81   2.206  -0.007 -12.940
  627   1HG   GLU  81          1HG       GLU  81   3.763   1.685 -13.252
  628   2HG   GLU  81          1HG       GLU  81   4.687   0.406 -12.464
  629    H    GLU  82           H        GLU  82   5.433  -2.045 -11.868
  630    HA   GLU  82           HA       GLU  82   4.300  -3.225  -9.576
  631   1HB   GLU  82          1HB       GLU  82   6.957  -2.395 -10.508
  632   2HB   GLU  82          1HB       GLU  82   6.739  -2.250  -8.771
  633   1HG   GLU  82          1HG       GLU  82   6.374  -4.739 -10.415
  634   2HG   GLU  82          1HG       GLU  82   7.702  -4.384  -9.328
  635    H    PHE  83           H        PHE  83   4.804  -2.190  -7.315
  636    HA   PHE  83           HA       PHE  83   4.680   0.651  -7.237
  637   1HB   PHE  83          1HB       PHE  83   2.185  -0.908  -7.008
  638   2HB   PHE  83          1HB       PHE  83   2.422   0.346  -5.795
  639    HD1  PHE  83          1HD       PHE  83   2.898   2.683  -6.562
  640    HD2  PHE  83          2HD       PHE  83   1.479  -0.342  -9.202
  641    HE1  PHE  83          1HE       PHE  83   2.171   4.412  -8.148
  642    HE2  PHE  83          2HE       PHE  83   0.754   1.385 -10.792
  643    HZ   PHE  83           HZ       PHE  83   1.100   3.765 -10.268
  644    H    LEU  84           H        LEU  84   4.105   1.370  -4.986
  645    HA   LEU  84           HA       LEU  84   5.423  -0.364  -2.972
  646   1HB   LEU  84          1HB       LEU  84   6.889   1.517  -3.662
  647   2HB   LEU  84          1HB       LEU  84   5.649   2.649  -3.175
  648    HG   LEU  84           HG       LEU  84   7.634   2.271  -1.602
  649   1HD1  LEU  84          1HD1      LEU  84   6.272   2.652   0.336
  650   2HD1  LEU  84          2HD1      LEU  84   4.855   2.004  -0.488
  651   3HD1  LEU  84          3HD1      LEU  84   5.592   3.505  -1.048
  652   1HD2  LEU  84          1HD2      LEU  84   6.025  -0.179  -0.914
  653   2HD2  LEU  84          2HD2      LEU  84   7.397   0.462  -0.004
  654   3HD2  LEU  84          3HD2      LEU  84   7.635  -0.165  -1.637
  655    H    ILE  85           H        ILE  85   4.171  -0.795  -1.253
  656    HA   ILE  85           HA       ILE  85   1.914   1.051  -0.784
  657    HB   ILE  85           HB       ILE  85   1.893  -1.970  -0.825
  658   1HG1  ILE  85          1HG1      ILE  85   0.071  -0.137  -2.363
  659   2HG1  ILE  85          1HG1      ILE  85   1.718  -0.394  -2.929
  660   1HG2  ILE  85          1HG2      ILE  85  -0.001  -0.021   0.420
  661   2HG2  ILE  85          2HG2      ILE  85   0.380  -1.683   0.876
  662   3HG2  ILE  85          3HG2      ILE  85  -0.697  -1.369  -0.483
  663   1HD1  ILE  85          1HD1      ILE  85   1.211  -2.387  -3.764
  664   2HD1  ILE  85          2HD1      ILE  85  -0.477  -1.939  -3.521
  665   3HD1  ILE  85          3HD1      ILE  85   0.372  -2.879  -2.294
  666    H    ALA  86           H        ALA  86   2.156   1.983   1.032
  667    HA   ALA  86           HA       ALA  86   3.039   0.541   3.477
  668   1HB   ALA  86          1HB       ALA  86   2.596   3.525   3.253
  669   2HB   ALA  86          2HB       ALA  86   4.163   2.763   2.981
  670   3HB   ALA  86          3HB       ALA  86   3.387   2.650   4.562
  671    H    GLY  87           H        GLY  87   1.327  -0.365   4.462
  672   1HA   GLY  87          2HA       GLY  87  -1.025   1.169   5.136
  673   2HA   GLY  87          1HA       GLY  87  -1.343  -0.113   3.983
  674    H    LYS  88           H        LYS  88  -1.879   0.474   7.031
  675    HA   LYS  88           HA       LYS  88  -0.805  -1.780   8.418
  676   1HB   LYS  88          1HB       LYS  88  -3.206  -0.272   9.371
  677   2HB   LYS  88          1HB       LYS  88  -1.972  -1.063  10.316
  678   1HG   LYS  88          1HG       LYS  88  -0.596   0.901   8.951
  679   2HG   LYS  88          1HG       LYS  88  -2.128   1.665   9.371
  680   1HD   LYS  88          1HD       LYS  88  -0.478   0.138  11.375
  681   2HD   LYS  88          1HD       LYS  88  -0.264   1.866  11.088
  682   1HE   LYS  88          1HE       LYS  88  -2.536   2.310  11.745
  683   2HE   LYS  88          1HE       LYS  88  -2.884   0.586  11.862
  684   1HZ   LYS  88          1HZ       LYS  88  -0.715   1.680  13.502
  685   2HZ   LYS  88          2HZ       LYS  88  -1.771   0.400  13.827
  686   3HZ   LYS  88          3HZ       LYS  88  -2.310   1.996  13.972
  687    H    LEU  89           H        LEU  89  -2.616  -3.119   9.744
  688    HA   LEU  89           HA       LEU  89  -4.398  -4.263   7.701
  689   1HB   LEU  89          1HB       LEU  89  -2.666  -5.430   9.807
  690   2HB   LEU  89          1HB       LEU  89  -4.209  -6.213   9.537
  691    HG   LEU  89           HG       LEU  89  -1.991  -5.848   7.530
  692   1HD1  LEU  89          1HD1      LEU  89  -1.674  -8.152   7.682
  693   2HD1  LEU  89          2HD1      LEU  89  -3.229  -8.408   8.469
  694   3HD1  LEU  89          3HD1      LEU  89  -1.908  -7.649   9.354
  695   1HD2  LEU  89          1HD2      LEU  89  -3.865  -7.548   6.443
  696   2HD2  LEU  89          2HD2      LEU  89  -3.602  -5.868   5.987
  697   3HD2  LEU  89          3HD2      LEU  89  -4.839  -6.275   7.172
  698    H    GLN  90           H        GLN  90  -6.502  -3.792   8.094
  699    HA   GLN  90           HA       GLN  90  -7.351  -3.289  10.857
  700   1HB   GLN  90          1HB       GLN  90  -7.927  -1.809   8.717
  701   2HB   GLN  90          1HB       GLN  90  -9.253  -2.957   8.595
  702   1HG   GLN  90          1HG       GLN  90 -10.301  -1.483   9.920
  703   2HG   GLN  90          1HG       GLN  90  -9.427  -2.326  11.198
  704   1HE2  GLN  90          1HE2      GLN  90  -9.316   0.461   9.050
  705   2HE2  GLN  90          2HE2      GLN  90  -8.355   1.452  10.087
  706    H    ASP  91           H        ASP  91  -8.221  -4.834  11.962
  707    HA   ASP  91           HA       ASP  91  -9.028  -6.905  12.486
  708   1HB   ASP  91          1HB       ASP  91 -11.018  -5.578  10.689
  709   2HB   ASP  91          1HB       ASP  91 -11.359  -7.175  11.348
  710    H    GLY  92           H        GLY  92  -7.113  -7.142  10.291
  711   1HA   GLY  92          2HA       GLY  92  -6.532  -9.351   9.495
  712   2HA   GLY  92          1HA       GLY  92  -8.229  -9.632   9.177
  713    H    LEU  93           H        LEU  93  -7.890  -6.642   7.973
  714    HA   LEU  93           HA       LEU  93  -7.029  -7.671   5.341
  715   1HB   LEU  93          1HB       LEU  93  -9.269  -5.782   6.034
  716   2HB   LEU  93          1HB       LEU  93  -8.677  -6.007   4.403
  717    HG   LEU  93           HG       LEU  93 -10.611  -7.338   4.573
  718   1HD1  LEU  93          1HD1      LEU  93  -8.499  -9.383   5.120
  719   2HD1  LEU  93          2HD1      LEU  93  -8.454  -8.401   3.656
  720   3HD1  LEU  93          3HD1      LEU  93  -9.842  -9.440   3.978
  721   1HD2  LEU  93          1HD2      LEU  93 -11.170  -8.773   6.350
  722   2HD2  LEU  93          2HD2      LEU  93 -10.599  -7.286   7.106
  723   3HD2  LEU  93          3HD2      LEU  93  -9.547  -8.697   7.030
  724    H    LEU  94           H        LEU  94  -5.972  -6.266   3.895
  725    HA   LEU  94           HA       LEU  94  -4.161  -4.441   4.984
  726   1HB   LEU  94          1HB       LEU  94  -4.281  -5.718   2.676
  727   2HB   LEU  94          1HB       LEU  94  -5.070  -4.260   2.146
  728    HG   LEU  94           HG       LEU  94  -2.939  -3.787   1.499
  729   1HD1  LEU  94          1HD1      LEU  94  -2.639  -2.954   4.368
  730   2HD1  LEU  94          2HD1      LEU  94  -3.609  -2.076   3.177
  731   3HD1  LEU  94          3HD1      LEU  94  -1.872  -2.248   2.949
  732   1HD2  LEU  94          1HD2      LEU  94  -2.240  -6.013   2.775
  733   2HD2  LEU  94          2HD2      LEU  94  -1.502  -4.826   3.850
  734   3HD2  LEU  94          3HD2      LEU  94  -1.066  -4.855   2.145
  735    H    HIS  95           H        HIS  95  -4.166  -2.219   5.083
  736    HA   HIS  95           HA       HIS  95  -6.548  -0.828   4.172
  737   1HB   HIS  95          1HB       HIS  95  -5.629  -0.937   6.998
  738   2HB   HIS  95          1HB       HIS  95  -6.291   0.577   6.390
  739    HD1  HIS  95          1HD       HIS  95  -8.647   0.727   7.120
  740    HD2  HIS  95          2HD       HIS  95  -7.635  -3.123   5.940
  741    HE1  HIS  95          1HE       HIS  95 -10.777  -0.604   7.262
  742    HE2  HIS  95          2HE       HIS  95 -10.160  -2.902   6.441
  743    H    ILE  96           H        ILE  96  -6.211   1.080   3.327
  744    HA   ILE  96           HA       ILE  96  -3.733   2.530   3.747
  745    HB   ILE  96           HB       ILE  96  -2.996   2.596   1.448
  746   1HG1  ILE  96          1HG1      ILE  96  -5.157   2.326   0.350
  747   2HG1  ILE  96          1HG1      ILE  96  -3.993   1.163  -0.277
  748   1HG2  ILE  96          1HG2      ILE  96  -1.750   0.938   2.345
  749   2HG2  ILE  96          2HG2      ILE  96  -2.613  -0.010   1.137
  750   3HG2  ILE  96          3HG2      ILE  96  -3.148  -0.025   2.808
  751   1HD1  ILE  96          1HD1      ILE  96  -6.546   0.684   0.832
  752   2HD1  ILE  96          2HD1      ILE  96  -5.344  -0.047   1.892
  753   3HD1  ILE  96          3HD1      ILE  96  -5.383  -0.462   0.196
  754    H    THR  97           H        THR  97  -3.672   4.452   2.179
  755    HA   THR  97           HA       THR  97  -6.162   5.367   1.123
  756    HB   THR  97           HB       THR  97  -6.139   7.450   2.575
  757    HG1  THR  97          1HG       THR  97  -4.208   7.399   3.579
  758   1HG2  THR  97          1HG2      THR  97  -6.602   5.022   4.262
  759   2HG2  THR  97          2HG2      THR  97  -7.677   5.457   2.936
  760   3HG2  THR  97          3HG2      THR  97  -7.452   6.566   4.284
  761    H    THR  98           H        THR  98  -5.839   7.599   0.165
  762    HA   THR  98           HA       THR  98  -3.285   7.675  -1.139
  763    HB   THR  98           HB       THR  98  -4.744   8.477  -2.674
  764    HG1  THR  98          1HG       THR  98  -3.796  10.327  -2.840
  765   1HG2  THR  98          1HG2      THR  98  -6.805   8.303  -1.640
  766   2HG2  THR  98          2HG2      THR  98  -6.685  10.015  -2.059
  767   3HG2  THR  98          3HG2      THR  98  -6.388   9.489  -0.403
  768    H    CYS  99           H        CYS  99  -3.844   8.246   1.845
  769    HA   CYS  99           HA       CYS  99  -2.125  10.612   2.050
  770   1HB   CYS  99          1HB       CYS  99  -4.551   9.844   3.582
  771   2HB   CYS  99          1HB       CYS  99  -3.226  10.582   4.489
  772    H    SER 100           H        SER 100  -1.850   7.569   1.944
  773    HA   SER 100           HA       SER 100  -0.107   7.264   4.292
  774   1HB   SER 100          1HB       SER 100  -2.146   5.534   3.203
  775   2HB   SER 100          1HB       SER 100  -0.577   4.736   3.085
  776    HG   SER 100           HG       SER 100  -1.336   6.003   5.481
  777    H    PHE 101           H        PHE 101   1.987   6.199   3.807
  778    HA   PHE 101           HA       PHE 101   3.095   7.200   1.445
  779   1HB   PHE 101          1HB       PHE 101   4.366   6.540   3.523
  780   2HB   PHE 101          1HB       PHE 101   4.278   4.879   2.942
  781    HD1  PHE 101          1HD       PHE 101   5.127   4.488   0.541
  782    HD2  PHE 101          2HD       PHE 101   6.114   7.898   2.868
  783    HE1  PHE 101          1HE       PHE 101   7.097   4.877  -0.887
  784    HE2  PHE 101          2HE       PHE 101   8.087   8.302   1.452
  785    HZ   PHE 101           HZ       PHE 101   8.580   6.790  -0.428
  786    H    VAL 102           H        VAL 102   2.267   6.589  -0.509
  787    HA   VAL 102           HA       VAL 102   2.496   3.774  -1.253
  788    HB   VAL 102           HB       VAL 102  -0.100   5.206  -1.776
  789   1HG1  VAL 102          1HG1      VAL 102   1.064   2.726  -2.617
  790   2HG1  VAL 102          2HG1      VAL 102  -0.448   3.478  -3.118
  791   3HG1  VAL 102          3HG1      VAL 102  -0.414   2.421  -1.707
  792   1HG2  VAL 102          1HG2      VAL 102   0.350   4.864   0.695
  793   2HG2  VAL 102          2HG2      VAL 102   0.292   3.135   0.369
  794   3HG2  VAL 102          3HG2      VAL 102  -1.123   4.140   0.062
  795    H    ALA 103           H        ALA 103   3.854   4.002  -2.964
  796    HA   ALA 103           HA       ALA 103   2.822   5.312  -5.337
  797   1HB   ALA 103          1HB       ALA 103   4.237   7.084  -5.559
  798   2HB   ALA 103          2HB       ALA 103   5.504   6.345  -4.580
  799   3HB   ALA 103          3HB       ALA 103   4.083   7.042  -3.802
  800    HA   PRO 104           HA       PRO 104   5.221   2.578  -7.852
  801   1HB   PRO 104          1HB       PRO 104   6.926   4.830  -8.782
  802   2HB   PRO 104          1HB       PRO 104   6.086   3.592  -9.725
  803   1HG   PRO 104          1HG       PRO 104   5.071   6.046  -9.588
  804   2HG   PRO 104          1HG       PRO 104   3.990   4.645  -9.446
  805   1HD   PRO 104          1HD       PRO 104   5.035   6.457  -7.293
  806   2HD   PRO 104          1HD       PRO 104   3.420   5.741  -7.474
  807    H    TRP 105           H        TRP 105   6.634   1.217  -7.024
  808    HA   TRP 105           HA       TRP 105   8.764   1.763  -5.327
  809   1HB   TRP 105          1HB       TRP 105   7.947  -0.516  -6.011
  810   2HB   TRP 105          1HB       TRP 105   8.688  -0.282  -7.568
  811    HD1  TRP 105           HD       TRP 105  10.902  -1.485  -7.767
  812    HE1  TRP 105          1HE       TRP 105  12.805  -2.132  -6.169
  813    HE3  TRP 105          3HE       TRP 105   9.040   0.503  -3.451
  814    HZ2  TRP 105          2HZ       TRP 105  13.436  -1.840  -3.424
  815    HZ3  TRP 105          3HZ       TRP 105  10.355   0.284  -1.385
  816    HH2  TRP 105           HH       TRP 105  12.509  -0.855  -1.387
  817    H    ASN 106           H        ASN 106   8.582   1.353  -8.760
  818    HA   ASN 106           HA       ASN 106  11.054   1.871  -9.507
  819   1HB   ASN 106          1HB       ASN 106   8.543   2.480 -10.978
  820   2HB   ASN 106          1HB       ASN 106  10.132   2.651 -11.723
  821   1HD2  ASN 106          1HD2      ASN 106  10.575   0.976 -12.967
  822   2HD2  ASN 106          2HD2      ASN 106  10.204  -0.676 -12.622
  823    H    SER 107           H        SER 107   8.947   4.260  -8.258
  824    HA   SER 107           HA       SER 107  10.520   6.429  -9.361
  825   1HB   SER 107          1HB       SER 107   8.010   6.315  -7.723
  826   2HB   SER 107          1HB       SER 107   8.879   7.836  -7.935
  827    HG   SER 107           HG       SER 107   8.693   7.427 -10.242
  828    H    LEU 108           H        LEU 108  10.653   4.469  -6.810
  829    HA   LEU 108           HA       LEU 108  11.569   6.216  -4.762
  830   1HB   LEU 108          1HB       LEU 108  11.277   3.359  -5.178
  831   2HB   LEU 108          1HB       LEU 108  12.515   3.795  -4.011
  832    HG   LEU 108           HG       LEU 108  10.955   4.756  -2.550
  833   1HD1  LEU 108          1HD1      LEU 108   9.390   6.101  -3.338
  834   2HD1  LEU 108          2HD1      LEU 108   8.441   4.675  -3.758
  835   3HD1  LEU 108          3HD1      LEU 108   9.518   5.398  -4.948
  836   1HD2  LEU 108          1HD2      LEU 108   9.058   3.069  -2.449
  837   2HD2  LEU 108          2HD2      LEU 108  10.702   2.440  -2.358
  838   3HD2  LEU 108          3HD2      LEU 108   9.797   2.332  -3.867
  839    H    SER 109           H        SER 109  13.518   6.462  -3.875
  840    HA   SER 109           HA       SER 109  15.754   6.820  -5.580
  841   1HB   SER 109          1HB       SER 109  16.267   6.706  -2.697
  842   2HB   SER 109          1HB       SER 109  16.677   7.935  -3.859
  843    HG   SER 109           HG       SER 109  14.611   8.756  -3.710
  844    H    LEU 110           H        LEU 110  17.098   5.488  -6.252
  845    HA   LEU 110           HA       LEU 110  17.284   2.855  -5.974
  846   1HB   LEU 110          1HB       LEU 110  19.835   3.215  -6.214
  847   2HB   LEU 110          1HB       LEU 110  18.741   3.715  -7.453
  848    HG   LEU 110           HG       LEU 110  20.740   5.214  -6.519
  849   1HD1  LEU 110          1HD1      LEU 110  19.876   5.835  -8.533
  850   2HD1  LEU 110          2HD1      LEU 110  19.366   7.172  -7.503
  851   3HD1  LEU 110          3HD1      LEU 110  18.225   5.892  -7.916
  852   1HD2  LEU 110          1HD2      LEU 110  18.353   6.211  -5.045
  853   2HD2  LEU 110          2HD2      LEU 110  19.805   7.149  -5.356
  854   3HD2  LEU 110          3HD2      LEU 110  19.901   5.691  -4.374
  855    H    ALA 111           H        ALA 111  18.395   5.130  -3.600
  856    HA   ALA 111           HA       ALA 111  19.589   3.087  -1.986
  857   1HB   ALA 111          1HB       ALA 111  20.267   5.624  -2.318
  858   2HB   ALA 111          2HB       ALA 111  20.598   4.752  -0.814
  859   3HB   ALA 111          3HB       ALA 111  19.197   5.820  -0.928
  860    H    GLN 112           H        GLN 112  16.724   5.079  -2.142
  861    HA   GLN 112           HA       GLN 112  15.649   4.030   0.317
  862   1HB   GLN 112          1HB       GLN 112  14.580   6.010   0.258
  863   2HB   GLN 112          1HB       GLN 112  15.304   6.352  -1.300
  864   1HG   GLN 112          1HG       GLN 112  13.300   6.411  -2.151
  865   2HG   GLN 112          1HG       GLN 112  13.137   4.689  -1.858
  866   1HE2  GLN 112          1HE2      GLN 112  13.276   7.353   0.449
  867   2HE2  GLN 112          2HE2      GLN 112  11.700   7.104   1.103
  868    H    ARG 113           H        ARG 113  16.111   2.925  -2.645
  869    HA   ARG 113           HA       ARG 113  13.656   1.376  -2.846
  870   1HB   ARG 113          1HB       ARG 113  15.399   2.274  -4.803
  871   2HB   ARG 113          1HB       ARG 113  15.895   0.602  -4.572
  872   1HG   ARG 113          1HG       ARG 113  14.243  -0.011  -5.915
  873   2HG   ARG 113          1HG       ARG 113  13.115   0.544  -4.682
  874   1HD   ARG 113          1HD       ARG 113  12.406   2.132  -6.002
  875   2HD   ARG 113          1HD       ARG 113  14.031   2.814  -6.093
  876    HE   ARG 113           HE       ARG 113  12.673   1.419  -8.145
  877   1HH1  ARG 113          1HH1      ARG 113  15.847   1.758  -6.731
  878   2HH1  ARG 113          2HH1      ARG 113  16.677   1.302  -8.178
  879   1HH2  ARG 113          1HH2      ARG 113  13.767   0.818 -10.048
  880   2HH2  ARG 113          2HH2      ARG 113  15.498   0.769 -10.060
  881    H    ARG 114           H        ARG 114  17.048   1.303  -2.085
  882    HA   ARG 114           HA       ARG 114  17.074  -1.485  -1.332
  883   1HB   ARG 114          1HB       ARG 114  19.289  -1.177  -1.465
  884   2HB   ARG 114          1HB       ARG 114  18.955   0.456  -1.988
  885   1HG   ARG 114          1HG       ARG 114  20.580   0.608  -0.311
  886   2HG   ARG 114          1HG       ARG 114  19.081   1.139   0.429
  887   1HD   ARG 114          1HD       ARG 114  19.572  -0.296   2.057
  888   2HD   ARG 114          1HD       ARG 114  19.073  -1.555   0.925
  889    HE   ARG 114           HE       ARG 114  21.252  -2.220   0.798
  890   1HH1  ARG 114          1HH1      ARG 114  21.172   1.065   1.974
  891   2HH1  ARG 114          2HH1      ARG 114  22.880   1.141   2.251
  892   1HH2  ARG 114          1HH2      ARG 114  23.502  -2.121   1.160
  893   2HH2  ARG 114          2HH2      ARG 114  24.202  -0.666   1.789
  894    H    GLY 115           H        GLY 115  17.389   1.594   0.390
  895   1HA   GLY 115          2HA       GLY 115  17.292   0.699   2.969
  896   2HA   GLY 115          1HA       GLY 115  16.599   2.225   2.430
  897    H    PHE 116           H        PHE 116  14.399   1.556   0.968
  898    HA   PHE 116           HA       PHE 116  12.601   0.828   2.981
  899   1HB   PHE 116          1HB       PHE 116  12.357   1.129   0.046
  900   2HB   PHE 116          1HB       PHE 116  11.155   0.080   0.785
  901    HD1  PHE 116          1HD       PHE 116  12.634   3.496   1.078
  902    HD2  PHE 116          2HD       PHE 116   9.314   0.931   1.763
  903    HE1  PHE 116          1HE       PHE 116  11.277   5.423   1.815
  904    HE2  PHE 116          2HE       PHE 116   7.956   2.842   2.486
  905    HZ   PHE 116           HZ       PHE 116   8.933   5.088   2.506
  906    H    THR 117           H        THR 117  14.713  -1.170   1.370
  907    HA   THR 117           HA       THR 117  13.083  -3.538   1.866
  908    HB   THR 117           HB       THR 117  14.643  -2.920  -0.280
  909    HG1  THR 117          1HG       THR 117  13.409  -5.112   0.697
  910   1HG2  THR 117          1HG2      THR 117  16.419  -4.914   0.053
  911   2HG2  THR 117          2HG2      THR 117  16.460  -4.192   1.657
  912   3HG2  THR 117          3HG2      THR 117  16.804  -3.206   0.240
  913    H    LYS 118           H        LYS 118  15.625  -1.637   3.151
  914    HA   LYS 118           HA       LYS 118  16.029  -3.593   5.281
  915   1HB   LYS 118          1HB       LYS 118  18.366  -3.547   5.139
  916   2HB   LYS 118          1HB       LYS 118  17.841  -3.618   3.460
  917   1HG   LYS 118          1HG       LYS 118  19.214  -1.919   3.108
  918   2HG   LYS 118          1HG       LYS 118  18.026  -0.915   3.926
  919   1HD   LYS 118          1HD       LYS 118  19.270  -1.641   6.087
  920   2HD   LYS 118          1HD       LYS 118  20.576  -2.077   4.982
  921   1HE   LYS 118          1HE       LYS 118  20.058   0.363   4.048
  922   2HE   LYS 118          1HE       LYS 118  19.499   0.593   5.703
  923   1HZ   LYS 118          1HZ       LYS 118  22.201   0.142   4.697
  924   2HZ   LYS 118          2HZ       LYS 118  21.818  -0.539   6.197
  925   3HZ   LYS 118          3HZ       LYS 118  21.669   1.129   5.963
  926    H    THR 119           H        THR 119  16.348  -0.218   4.284
  927    HA   THR 119           HA       THR 119  17.297   0.830   6.685
  928    HB   THR 119           HB       THR 119  16.234   3.004   5.827
  929    HG1  THR 119          1HG       THR 119  14.869   1.723   4.395
  930   1HG2  THR 119          1HG2      THR 119  18.358   1.561   4.239
  931   2HG2  THR 119          2HG2      THR 119  18.598   2.691   5.571
  932   3HG2  THR 119          3HG2      THR 119  17.949   3.264   4.036
  933    H    TYR 120           H        TYR 120  13.766   0.877   5.595
  934    HA   TYR 120           HA       TYR 120  13.369   2.457   7.878
  935   1HB   TYR 120          1HB       TYR 120  11.395   1.535   5.840
  936   2HB   TYR 120          1HB       TYR 120  11.128   2.732   7.089
  937    HD1  TYR 120          1HD       TYR 120  13.208   2.067   4.107
  938    HD2  TYR 120          2HD       TYR 120  11.612   4.984   6.744
  939    HE1  TYR 120          1HE       TYR 120  14.022   3.842   2.616
  940    HE2  TYR 120          2HE       TYR 120  12.422   6.774   5.265
  941    HH   TYR 120           HH       TYR 120  14.688   6.441   3.051
  942    H    THR 121           H        THR 121  13.951  -0.399   8.318
  943    HA   THR 121           HA       THR 121  11.483  -1.276   9.606
  944    HB   THR 121           HB       THR 121  12.150  -3.320   9.123
  945    HG1  THR 121          1HG       THR 121  14.571  -3.758   9.888
  946   1HG2  THR 121          1HG2      THR 121  13.490  -3.602   7.367
  947   2HG2  THR 121          2HG2      THR 121  14.868  -2.859   8.177
  948   3HG2  THR 121          3HG2      THR 121  13.653  -1.848   7.396
  949    H    VAL 122           H        VAL 122  14.555  -0.223  10.143
  950    HA   VAL 122           HA       VAL 122  14.258  -0.049  13.070
  951    HB   VAL 122           HB       VAL 122  16.939  -0.403  11.797
  952   1HG1  VAL 122          1HG1      VAL 122  15.926   0.010  14.474
  953   2HG1  VAL 122          2HG1      VAL 122  17.584   0.078  13.880
  954   3HG1  VAL 122          3HG1      VAL 122  16.888  -1.465  14.375
  955   1HG2  VAL 122          1HG2      VAL 122  15.832  -2.400  11.174
  956   2HG2  VAL 122          2HG2      VAL 122  15.017  -2.523  12.732
  957   3HG2  VAL 122          3HG2      VAL 122  16.755  -2.802  12.623
  958    H    GLY 123           H        GLY 123  15.237   1.459  10.117
  959   1HA   GLY 123          2HA       GLY 123  15.864   3.925  11.619
  960   2HA   GLY 123          1HA       GLY 123  16.782   3.438  10.202
  961    H    CYS 124           H        CYS 124  13.385   2.931  10.358
  962    HA   CYS 124           HA       CYS 124  12.712   4.024   7.965
  963   1HB   CYS 124          1HB       CYS 124  10.413   4.241   8.838
  964   2HB   CYS 124          1HB       CYS 124  11.196   2.719   9.274
  965    H    GLU 125           H        GLU 125  13.106   5.750  10.985
  966    HA   GLU 125           HA       GLU 125  12.104   8.223  10.580
  967   1HB   GLU 125          1HB       GLU 125  14.333   9.023  11.690
  968   2HB   GLU 125          1HB       GLU 125  13.230   7.982  12.582
  969   1HG   GLU 125          1HG       GLU 125  14.598   6.028  11.767
  970   2HG   GLU 125          1HG       GLU 125  15.773   7.210  11.187
  971    H    GLU 126           H        GLU 126  11.994   8.624   8.384
  972    HA   GLU 126           HA       GLU 126  13.685   8.729   6.391
  973   1HB   GLU 126          1HB       GLU 126  12.322  10.290   5.377
  974   2HB   GLU 126          1HB       GLU 126  11.275   9.686   6.651
  975   1HG   GLU 126          1HG       GLU 126  12.896  12.216   6.828
  976   2HG   GLU 126          1HG       GLU 126  11.199  12.137   6.372
  Start of MODEL   28
    1   1H    CYS   1          1HT       CYS   1  -9.882  14.485   4.167
    2   2H    CYS   1          2HT       CYS   1  -8.408  15.202   4.672
    3   3H    CYS   1          3HT       CYS   1  -9.447  14.473   5.824
    4    HA   CYS   1           HA       CYS   1  -7.681  13.008   5.446
    5   1HB   CYS   1          1HB       CYS   1 -10.389  12.414   4.427
    6   2HB   CYS   1          1HB       CYS   1  -9.144  11.271   3.997
    7    H    THR   2           H        THR   2  -7.663  15.071   3.132
    8    HA   THR   2           HA       THR   2  -6.520  13.190   1.198
    9    HB   THR   2           HB       THR   2  -7.144  14.847  -0.586
   10    HG1  THR   2          1HG       THR   2  -8.255  16.585  -0.099
   11   1HG2  THR   2          1HG2      THR   2  -8.734  13.301  -0.813
   12   2HG2  THR   2          2HG2      THR   2  -9.776  14.482  -0.019
   13   3HG2  THR   2          3HG2      THR   2  -9.021  13.198   0.924
   14    H    CYS   3           H        CYS   3  -4.604  13.564   2.490
   15    HA   CYS   3           HA       CYS   3  -3.233  16.111   2.149
   16   1HB   CYS   3          1HB       CYS   3  -1.832  13.815   3.413
   17   2HB   CYS   3          1HB       CYS   3  -1.858  15.504   3.883
   18    H    VAL   4           H        VAL   4  -0.704  15.621   1.810
   19    HA   VAL   4           HA       VAL   4  -0.531  14.066  -0.683
   20    HB   VAL   4           HB       VAL   4   1.335  15.378  -1.343
   21   1HG1  VAL   4          1HG1      VAL   4   0.443  17.738  -1.143
   22   2HG1  VAL   4          2HG1      VAL   4  -0.849  17.058  -0.154
   23   3HG1  VAL   4          3HG1      VAL   4  -0.649  16.534  -1.826
   24   1HG2  VAL   4          1HG2      VAL   4   2.329  17.132   0.084
   25   2HG2  VAL   4          2HG2      VAL   4   2.557  15.506   0.730
   26   3HG2  VAL   4          3HG2      VAL   4   1.332  16.570   1.427
   27    HA   PRO   5           HA       PRO   5   2.097  10.803   0.675
   28   1HB   PRO   5          1HB       PRO   5   4.332  12.303  -0.663
   29   2HB   PRO   5          1HB       PRO   5   3.985  10.568  -0.680
   30   1HG   PRO   5          1HG       PRO   5   3.260  12.080  -2.733
   31   2HG   PRO   5          1HG       PRO   5   2.184  10.805  -2.130
   32   1HD   PRO   5          1HD       PRO   5   1.938  13.751  -1.876
   33   2HD   PRO   5          1HD       PRO   5   0.677  12.509  -1.874
   34    HA   PRO   6           HA       PRO   6   3.939  12.967   4.219
   35   1HB   PRO   6          1HB       PRO   6   3.026  11.030   6.006
   36   2HB   PRO   6          1HB       PRO   6   2.214  12.542   5.604
   37   1HG   PRO   6          1HG       PRO   6   1.344   9.914   5.003
   38   2HG   PRO   6          1HG       PRO   6   0.616  11.435   4.467
   39   1HD   PRO   6          1HD       PRO   6   2.416   9.585   3.006
   40   2HD   PRO   6          1HD       PRO   6   1.198  10.715   2.381
   41    H    HIS   7           H        HIS   7   5.856  12.712   5.237
   42    HA   HIS   7           HA       HIS   7   7.878  11.374   4.453
   43   1HB   HIS   7          1HB       HIS   7   7.149  11.754   7.350
   44   2HB   HIS   7          1HB       HIS   7   8.751  11.281   6.803
   45    HD1  HIS   7          1HD       HIS   7   8.554  13.270   4.248
   46    HD2  HIS   7          2HD       HIS   7   8.110  14.237   8.265
   47    HE1  HIS   7          1HE       HIS   7   9.066  15.726   4.409
   48    HE2  HIS   7          2HE       HIS   7   8.703  16.308   6.832
   49    HA   PRO   8           HA       PRO   8   7.169   6.968   4.604
   50   1HB   PRO   8          1HB       PRO   8   9.614   6.257   3.746
   51   2HB   PRO   8          1HB       PRO   8   8.423   6.970   2.645
   52   1HG   PRO   8          1HG       PRO   8  10.597   8.331   4.177
   53   2HG   PRO   8          1HG       PRO   8  10.290   8.415   2.432
   54   1HD   PRO   8          1HD       PRO   8   9.430  10.343   4.044
   55   2HD   PRO   8          1HD       PRO   8   8.372   9.734   2.750
   56    H    GLN   9           H        GLN   9   9.337   8.911   6.346
   57    HA   GLN   9           HA       GLN   9  10.596   6.871   7.895
   58   1HB   GLN   9          1HB       GLN   9  11.179   8.782   9.393
   59   2HB   GLN   9          1HB       GLN   9  11.631   9.071   7.728
   60   1HG   GLN   9          1HG       GLN   9  10.408  10.885   7.607
   61   2HG   GLN   9          1HG       GLN   9   8.993  10.046   8.234
   62   1HE2  GLN   9          1HE2      GLN   9  10.986  12.561   8.759
   63   2HE2  GLN   9          2HE2      GLN   9  10.803  12.742  10.467
   64    H    THR  10           H        THR  10   7.635   8.773   7.946
   65    HA   THR  10           HA       THR  10   6.867   7.749  10.525
   66    HB   THR  10           HB       THR  10   6.230  10.054   8.800
   67    HG1  THR  10          1HG       THR  10   5.800   9.840  11.565
   68   1HG2  THR  10          1HG2      THR  10   4.038  10.035   8.752
   69   2HG2  THR  10          2HG2      THR  10   4.006   9.956  10.516
   70   3HG2  THR  10          3HG2      THR  10   3.995   8.471   9.569
   71    H    ALA  11           H        ALA  11   6.024   7.704   7.048
   72    HA   ALA  11           HA       ALA  11   3.672   6.172   7.224
   73   1HB   ALA  11          1HB       ALA  11   3.736   6.054   4.940
   74   2HB   ALA  11          2HB       ALA  11   5.498   6.007   4.884
   75   3HB   ALA  11          3HB       ALA  11   4.667   7.516   5.268
   76    H    PHE  12           H        PHE  12   7.075   5.199   6.958
   77    HA   PHE  12           HA       PHE  12   6.490   2.478   6.402
   78   1HB   PHE  12          1HB       PHE  12   8.730   3.787   6.079
   79   2HB   PHE  12          1HB       PHE  12   9.042   3.299   7.744
   80    HD1  PHE  12          1HD       PHE  12   8.274   0.676   8.083
   81    HD2  PHE  12          2HD       PHE  12   9.776   2.452   4.543
   82    HE1  PHE  12          1HE       PHE  12   9.019  -1.529   7.302
   83    HE2  PHE  12          2HE       PHE  12  10.533   0.242   3.753
   84    HZ   PHE  12           HZ       PHE  12  10.149  -1.745   5.129
   85    H    CYS  13           H        CYS  13   7.529   4.114   9.334
   86    HA   CYS  13           HA       CYS  13   7.334   1.744  10.877
   87   1HB   CYS  13          1HB       CYS  13   8.257   4.492  11.233
   88   2HB   CYS  13          1HB       CYS  13   7.537   3.801  12.683
   89    H    ASN  14           H        ASN  14   5.321   4.703  10.645
   90    HA   ASN  14           HA       ASN  14   3.654   3.955  12.728
   91   1HB   ASN  14          1HB       ASN  14   3.849   6.191  11.355
   92   2HB   ASN  14          1HB       ASN  14   2.578   5.465  10.375
   93   1HD2  ASN  14          1HD2      ASN  14   0.542   5.589  11.071
   94   2HD2  ASN  14          2HD2      ASN  14   0.053   6.177  12.620
   95    H    SER  15           H        SER  15   3.620   3.000   9.284
   96    HA   SER  15           HA       SER  15   1.068   1.842   9.435
   97   1HB   SER  15          1HB       SER  15   2.603   2.656   7.386
   98   2HB   SER  15          1HB       SER  15   2.889   0.921   7.341
   99    HG   SER  15           HG       SER  15   0.660   2.332   6.670
  100    H    ASP  16           H        ASP  16   0.569  -0.033   9.231
  101    HA   ASP  16           HA       ASP  16   2.103  -2.127  10.511
  102   1HB   ASP  16          1HB       ASP  16  -0.782  -1.626  10.070
  103   2HB   ASP  16          1HB       ASP  16  -0.252  -3.212  10.548
  104    H    LEU  17           H        LEU  17   1.831  -1.335   7.472
  105    HA   LEU  17           HA       LEU  17   2.773  -3.720   6.633
  106   1HB   LEU  17          1HB       LEU  17  -0.089  -3.780   6.462
  107   2HB   LEU  17          1HB       LEU  17   0.669  -4.068   4.896
  108    HG   LEU  17           HG       LEU  17   2.089  -5.493   6.960
  109   1HD1  LEU  17          1HD1      LEU  17  -0.354  -5.320   7.855
  110   2HD1  LEU  17          2HD1      LEU  17   0.545  -6.837   7.933
  111   3HD1  LEU  17          3HD1      LEU  17  -0.626  -6.573   6.655
  112   1HD2  LEU  17          1HD2      LEU  17   2.467  -6.342   4.898
  113   2HD2  LEU  17          2HD2      LEU  17   0.821  -6.040   4.355
  114   3HD2  LEU  17          3HD2      LEU  17   1.165  -7.412   5.406
  115    H    VAL  18           H        VAL  18   4.035  -3.500   5.001
  116    HA   VAL  18           HA       VAL  18   3.469  -1.399   3.032
  117    HB   VAL  18           HB       VAL  18   6.257  -1.887   4.060
  118   1HG1  VAL  18          1HG1      VAL  18   5.419  -0.589   1.860
  119   2HG1  VAL  18          2HG1      VAL  18   6.888  -0.169   2.740
  120   3HG1  VAL  18          3HG1      VAL  18   5.403   0.740   3.017
  121   1HG2  VAL  18          1HG2      VAL  18   4.291  -0.846   5.691
  122   2HG2  VAL  18          2HG2      VAL  18   5.048   0.591   5.010
  123   3HG2  VAL  18          3HG2      VAL  18   6.026  -0.597   5.870
  124    H    ILE  19           H        ILE  19   3.746  -2.171   0.962
  125    HA   ILE  19           HA       ILE  19   5.613  -4.346   0.548
  126    HB   ILE  19           HB       ILE  19   3.832  -5.747  -0.447
  127   1HG1  ILE  19          1HG1      ILE  19   1.522  -4.670   0.797
  128   2HG1  ILE  19          1HG1      ILE  19   2.289  -3.353  -0.077
  129   1HG2  ILE  19          1HG2      ILE  19   3.500  -6.785   1.490
  130   2HG2  ILE  19          2HG2      ILE  19   2.663  -5.409   2.196
  131   3HG2  ILE  19          3HG2      ILE  19   4.422  -5.477   2.217
  132   1HD1  ILE  19          1HD1      ILE  19   0.529  -4.749  -1.285
  133   2HD1  ILE  19          2HD1      ILE  19   1.777  -5.989  -1.384
  134   3HD1  ILE  19          3HD1      ILE  19   2.042  -4.415  -2.126
  135    H    ARG  20           H        ARG  20   6.028  -4.754  -1.538
  136    HA   ARG  20           HA       ARG  20   5.288  -2.677  -3.443
  137   1HB   ARG  20          1HB       ARG  20   7.094  -3.745  -4.884
  138   2HB   ARG  20          1HB       ARG  20   7.641  -2.941  -3.421
  139   1HG   ARG  20          1HG       ARG  20   8.667  -4.771  -2.816
  140   2HG   ARG  20          1HG       ARG  20   7.135  -5.626  -2.760
  141   1HD   ARG  20          1HD       ARG  20   8.793  -6.729  -4.216
  142   2HD   ARG  20          1HD       ARG  20   7.345  -6.228  -5.065
  143    HE   ARG  20           HE       ARG  20   8.910  -4.148  -5.527
  144   1HH1  ARG  20          1HH1      ARG  20   9.591  -7.568  -5.748
  145   2HH1  ARG  20          2HH1      ARG  20  10.780  -7.374  -6.990
  146   1HH2  ARG  20          1HH2      ARG  20  10.475  -3.898  -7.157
  147   2HH2  ARG  20          2HH2      ARG  20  11.284  -5.294  -7.789
  148    H    ALA  21           H        ALA  21   4.001  -3.037  -4.932
  149    HA   ALA  21           HA       ALA  21   3.412  -5.651  -6.039
  150   1HB   ALA  21          1HB       ALA  21   0.831  -4.979  -5.342
  151   2HB   ALA  21          2HB       ALA  21   1.789  -4.640  -3.903
  152   3HB   ALA  21          3HB       ALA  21   1.841  -6.227  -4.635
  153    H    LYS  22           H        LYS  22   1.577  -5.718  -7.405
  154    HA   LYS  22           HA       LYS  22   1.395  -3.397  -9.196
  155   1HB   LYS  22          1HB       LYS  22   1.746  -6.296  -9.530
  156   2HB   LYS  22          1HB       LYS  22   0.603  -5.582 -10.651
  157   1HG   LYS  22          1HG       LYS  22   2.321  -4.113 -11.474
  158   2HG   LYS  22          1HG       LYS  22   3.441  -4.661 -10.228
  159   1HD   LYS  22          1HD       LYS  22   2.435  -6.922 -11.653
  160   2HD   LYS  22          1HD       LYS  22   3.002  -5.728 -12.795
  161   1HE   LYS  22          1HE       LYS  22   4.530  -7.150 -10.669
  162   2HE   LYS  22          1HE       LYS  22   4.889  -7.017 -12.390
  163   1HZ   LYS  22          1HZ       LYS  22   5.219  -4.566 -11.932
  164   2HZ   LYS  22          2HZ       LYS  22   6.396  -5.620 -11.331
  165   3HZ   LYS  22          3HZ       LYS  22   5.237  -4.972 -10.289
  166    H    PHE  23           H        PHE  23  -0.732  -2.990 -10.170
  167    HA   PHE  23           HA       PHE  23  -2.930  -4.045  -8.523
  168   1HB   PHE  23          1HB       PHE  23  -2.711  -1.618 -10.305
  169   2HB   PHE  23          1HB       PHE  23  -4.273  -2.232  -9.775
  170    HD1  PHE  23          1HD       PHE  23  -1.047  -0.885  -8.562
  171    HD2  PHE  23          2HD       PHE  23  -5.128  -1.699  -7.672
  172    HE1  PHE  23          1HE       PHE  23  -0.853   0.429  -6.491
  173    HE2  PHE  23          2HE       PHE  23  -4.941  -0.389  -5.597
  174    HZ   PHE  23           HZ       PHE  23  -2.805   0.668  -5.009
  175    H    VAL  24           H        VAL  24  -4.052  -5.531  -9.144
  176    HA   VAL  24           HA       VAL  24  -4.433  -6.004 -11.972
  177    HB   VAL  24           HB       VAL  24  -4.039  -8.356 -11.538
  178   1HG1  VAL  24          1HG1      VAL  24  -1.748  -6.679 -10.590
  179   2HG1  VAL  24          2HG1      VAL  24  -2.192  -6.916 -12.277
  180   3HG1  VAL  24          3HG1      VAL  24  -1.650  -8.286 -11.314
  181   1HG2  VAL  24          1HG2      VAL  24  -2.925  -8.972  -9.357
  182   2HG2  VAL  24          2HG2      VAL  24  -4.661  -8.666  -9.300
  183   3HG2  VAL  24          3HG2      VAL  24  -3.535  -7.432  -8.749
  184    H    GLY  25           H        GLY  25  -6.341  -4.771 -10.365
  185   1HA   GLY  25          2HA       GLY  25  -8.588  -6.446 -10.795
  186   2HA   GLY  25          1HA       GLY  25  -8.260  -6.304  -9.084
  187    H    THR  26           H        THR  26 -10.636  -5.330 -10.188
  188    HA   THR  26           HA       THR  26 -10.248  -2.448 -10.390
  189    HB   THR  26           HB       THR  26 -11.610  -3.893 -12.041
  190    HG1  THR  26          1HG       THR  26 -11.705  -1.428 -11.453
  191   1HG2  THR  26          1HG2      THR  26 -13.994  -3.319 -10.397
  192   2HG2  THR  26          2HG2      THR  26 -13.061  -4.761  -9.997
  193   3HG2  THR  26          3HG2      THR  26 -13.720  -4.559 -11.619
  194    HA   PRO  27           HA       PRO  27 -11.874  -1.427  -6.429
  195   1HB   PRO  27          1HB       PRO  27 -13.226   0.859  -6.864
  196   2HB   PRO  27          1HB       PRO  27 -11.474   0.760  -6.990
  197   1HG   PRO  27          1HG       PRO  27 -13.530   0.676  -9.161
  198   2HG   PRO  27          1HG       PRO  27 -12.011   1.590  -9.104
  199   1HD   PRO  27          1HD       PRO  27 -12.266  -0.734 -10.440
  200   2HD   PRO  27          1HD       PRO  27 -10.747  -0.250  -9.685
  201    H    GLU  28           H        GLU  28 -13.325  -2.654  -5.460
  202    HA   GLU  28           HA       GLU  28 -16.074  -2.750  -6.455
  203   1HB   GLU  28          1HB       GLU  28 -14.362  -4.523  -4.951
  204   2HB   GLU  28          1HB       GLU  28 -15.889  -4.278  -4.111
  205   1HG   GLU  28          1HG       GLU  28 -17.120  -4.965  -6.055
  206   2HG   GLU  28          1HG       GLU  28 -15.629  -5.093  -6.989
  207    H    VAL  29           H        VAL  29 -17.401  -1.185  -5.788
  208    HA   VAL  29           HA       VAL  29 -16.897  -0.059  -3.135
  209    HB   VAL  29           HB       VAL  29 -18.621   1.274  -5.158
  210   1HG1  VAL  29          1HG1      VAL  29 -16.810   2.696  -3.300
  211   2HG1  VAL  29          2HG1      VAL  29 -18.236   1.921  -2.625
  212   3HG1  VAL  29          3HG1      VAL  29 -18.404   3.146  -3.883
  213   1HG2  VAL  29          1HG2      VAL  29 -15.850   0.695  -5.507
  214   2HG2  VAL  29          2HG2      VAL  29 -16.039   2.426  -5.238
  215   3HG2  VAL  29          3HG2      VAL  29 -16.924   1.636  -6.541
  216    H    ASN  30           H        ASN  30 -18.206  -1.156  -1.583
  217    HA   ASN  30           HA       ASN  30 -20.958  -1.682  -2.208
  218   1HB   ASN  30          1HB       ASN  30 -19.400  -2.708  -0.289
  219   2HB   ASN  30          1HB       ASN  30 -20.169  -1.430   0.644
  220   1HD2  ASN  30          1HD2      ASN  30 -22.251  -1.617   1.250
  221   2HD2  ASN  30          2HD2      ASN  30 -23.238  -2.987   0.922
  222    H    GLN  31           H        GLN  31 -22.712  -0.762  -1.250
  223    HA   GLN  31           HA       GLN  31 -22.627   2.147  -1.134
  224   1HB   GLN  31          1HB       GLN  31 -24.990   0.292  -0.841
  225   2HB   GLN  31          1HB       GLN  31 -25.060   2.028  -1.122
  226   1HG   GLN  31          1HG       GLN  31 -23.745   0.164  -3.058
  227   2HG   GLN  31          1HG       GLN  31 -25.480   0.470  -3.092
  228   1HE2  GLN  31          1HE2      GLN  31 -22.314   1.946  -3.393
  229   2HE2  GLN  31          2HE2      GLN  31 -22.830   3.320  -4.303
  230    H    THR  32           H        THR  32 -22.514  -0.465   0.999
  231    HA   THR  32           HA       THR  32 -23.076   1.292   3.259
  232    HB   THR  32           HB       THR  32 -24.467  -1.150   2.330
  233    HG1  THR  32          1HG       THR  32 -25.805   0.286   4.136
  234   1HG2  THR  32          1HG2      THR  32 -24.977  -2.206   4.266
  235   2HG2  THR  32          2HG2      THR  32 -24.637  -0.798   5.270
  236   3HG2  THR  32          3HG2      THR  32 -23.314  -1.763   4.625
  237    H    THR  33           H        THR  33 -20.563   0.781   2.315
  238    HA   THR  33           HA       THR  33 -19.491  -1.174   4.200
  239    HB   THR  33           HB       THR  33 -18.488  -1.788   2.230
  240    HG1  THR  33          1HG       THR  33 -16.950  -0.298   3.671
  241   1HG2  THR  33          1HG2      THR  33 -19.618   0.397   1.085
  242   2HG2  THR  33          2HG2      THR  33 -18.538  -0.717   0.264
  243   3HG2  THR  33          3HG2      THR  33 -17.905   0.761   0.967
  244    H    LEU  34           H        LEU  34 -18.944   1.936   2.562
  245    HA   LEU  34           HA       LEU  34 -18.243   3.901   3.558
  246   1HB   LEU  34          1HB       LEU  34 -18.066   2.189   5.866
  247   2HB   LEU  34          1HB       LEU  34 -16.695   3.239   5.719
  248    HG   LEU  34           HG       LEU  34 -19.600   4.027   5.839
  249   1HD1  LEU  34          1HD1      LEU  34 -18.062   5.242   7.848
  250   2HD1  LEU  34          2HD1      LEU  34 -17.553   3.553   7.805
  251   3HD1  LEU  34          3HD1      LEU  34 -19.254   3.957   8.044
  252   1HD2  LEU  34          1HD2      LEU  34 -17.643   5.359   4.457
  253   2HD2  LEU  34          2HD2      LEU  34 -17.492   6.083   6.059
  254   3HD2  LEU  34          3HD2      LEU  34 -19.036   6.140   5.211
  255    H    TYR  35           H        TYR  35 -16.856   1.066   2.798
  256    HA   TYR  35           HA       TYR  35 -14.421   2.344   1.835
  257   1HB   TYR  35          1HB       TYR  35 -13.237   0.124   2.518
  258   2HB   TYR  35          1HB       TYR  35 -13.383   1.470   3.618
  259    HD1  TYR  35          1HD       TYR  35 -14.984   1.463   5.397
  260    HD2  TYR  35          2HD       TYR  35 -14.306  -1.962   2.989
  261    HE1  TYR  35          1HE       TYR  35 -15.999   0.083   7.123
  262    HE2  TYR  35          2HE       TYR  35 -15.344  -3.385   4.717
  263    HH   TYR  35           HH       TYR  35 -17.252  -2.595   6.859
  264    H    GLN  36           H        GLN  36 -13.044   0.817   0.482
  265    HA   GLN  36           HA       GLN  36 -14.747  -0.885  -1.171
  266   1HB   GLN  36          1HB       GLN  36 -12.905   1.381  -1.948
  267   2HB   GLN  36          1HB       GLN  36 -13.591   0.250  -3.109
  268   1HG   GLN  36          1HG       GLN  36 -15.671   1.170  -2.947
  269   2HG   GLN  36          1HG       GLN  36 -15.410   1.738  -1.304
  270   1HE2  GLN  36          1HE2      GLN  36 -13.770   2.200  -4.410
  271   2HE2  GLN  36          2HE2      GLN  36 -13.767   3.926  -4.352
  272    H    ARG  37           H        ARG  37 -13.168  -2.198  -2.736
  273    HA   ARG  37           HA       ARG  37 -10.552  -2.527  -1.489
  274   1HB   ARG  37          1HB       ARG  37 -10.729  -4.820  -1.044
  275   2HB   ARG  37          1HB       ARG  37 -12.193  -4.093  -0.406
  276   1HG   ARG  37          1HG       ARG  37 -13.528  -5.209  -1.833
  277   2HG   ARG  37          1HG       ARG  37 -12.380  -5.112  -3.162
  278   1HD   ARG  37          1HD       ARG  37 -11.021  -6.857  -2.122
  279   2HD   ARG  37          1HD       ARG  37 -12.171  -6.957  -0.790
  280    HE   ARG  37           HE       ARG  37 -13.752  -7.451  -2.876
  281   1HH1  ARG  37          1HH1      ARG  37 -10.600  -8.729  -2.074
  282   2HH1  ARG  37          2HH1      ARG  37 -10.889 -10.256  -2.836
  283   1HH2  ARG  37          1HH2      ARG  37 -14.130  -9.463  -3.875
  284   2HH2  ARG  37          2HH2      ARG  37 -12.891 -10.673  -3.857
  285    H    TYR  38           H        TYR  38  -9.153  -2.300  -2.960
  286    HA   TYR  38           HA       TYR  38  -9.551  -3.065  -5.753
  287   1HB   TYR  38          1HB       TYR  38  -7.411  -1.584  -4.250
  288   2HB   TYR  38          1HB       TYR  38  -7.019  -2.279  -5.809
  289    HD1  TYR  38          1HD       TYR  38  -9.126  -1.662  -7.581
  290    HD2  TYR  38          2HD       TYR  38  -7.685   0.686  -4.335
  291    HE1  TYR  38          1HE       TYR  38  -9.909   0.385  -8.690
  292    HE2  TYR  38          2HE       TYR  38  -8.489   2.725  -5.438
  293    HH   TYR  38           HH       TYR  38 -10.128   3.387  -7.119
  294    H    GLU  39           H        GLU  39  -8.262  -4.647  -6.844
  295    HA   GLU  39           HA       GLU  39  -6.989  -6.629  -5.093
  296   1HB   GLU  39          1HB       GLU  39  -7.742  -6.866  -8.009
  297   2HB   GLU  39          1HB       GLU  39  -7.207  -8.169  -6.974
  298   1HG   GLU  39          1HG       GLU  39  -9.435  -8.551  -6.921
  299   2HG   GLU  39          1HG       GLU  39  -9.318  -7.426  -5.575
  300    H    ILE  40           H        ILE  40  -4.775  -7.171  -5.371
  301    HA   ILE  40           HA       ILE  40  -3.431  -5.793  -7.574
  302    HB   ILE  40           HB       ILE  40  -1.650  -5.026  -5.980
  303   1HG1  ILE  40          1HG1      ILE  40  -2.483  -6.525  -4.116
  304   2HG1  ILE  40          1HG1      ILE  40  -2.047  -4.882  -3.668
  305   1HG2  ILE  40          1HG2      ILE  40  -2.641  -3.107  -6.490
  306   2HG2  ILE  40          2HG2      ILE  40  -3.583  -3.278  -5.009
  307   3HG2  ILE  40          3HG2      ILE  40  -4.227  -3.869  -6.538
  308   1HD1  ILE  40          1HD1      ILE  40  -4.699  -4.615  -4.172
  309   2HD1  ILE  40          2HD1      ILE  40  -3.993  -4.912  -2.587
  310   3HD1  ILE  40          3HD1      ILE  40  -4.610  -6.244  -3.541
  311    H    LYS  41           H        LYS  41  -1.819  -6.802  -8.427
  312    HA   LYS  41           HA       LYS  41  -1.036  -9.400  -7.605
  313   1HB   LYS  41          1HB       LYS  41  -0.730  -7.801  -9.896
  314   2HB   LYS  41          1HB       LYS  41   0.891  -8.189  -9.387
  315   1HG   LYS  41          1HG       LYS  41  -1.190 -10.319  -9.673
  316   2HG   LYS  41          1HG       LYS  41  -0.264  -9.744 -11.060
  317   1HD   LYS  41          1HD       LYS  41   1.385 -11.119 -10.484
  318   2HD   LYS  41          1HD       LYS  41   1.591 -10.203  -8.990
  319   1HE   LYS  41          1HE       LYS  41   0.117 -11.635  -7.808
  320   2HE   LYS  41          1HE       LYS  41  -0.442 -12.400  -9.294
  321   1HZ   LYS  41          1HZ       LYS  41   1.597 -13.508  -9.556
  322   2HZ   LYS  41          2HZ       LYS  41   1.202 -13.694  -7.921
  323   3HZ   LYS  41          3HZ       LYS  41   2.371 -12.563  -8.384
  324    H    MET  42           H        MET  42  -0.369  -8.993  -5.425
  325    HA   MET  42           HA       MET  42   1.575  -7.242  -4.570
  326   1HB   MET  42          1HB       MET  42   0.079  -8.507  -3.090
  327   2HB   MET  42          1HB       MET  42   0.969  -9.973  -3.470
  328   1HG   MET  42          1HG       MET  42   2.968  -8.347  -2.611
  329   2HG   MET  42          1HG       MET  42   1.614  -7.794  -1.629
  330   1HE   MET  42          1HE       MET  42   2.578  -9.960   1.239
  331   2HE   MET  42          2HE       MET  42   1.460  -8.705   0.711
  332   3HE   MET  42          3HE       MET  42   3.187  -8.515   0.433
  333    H    THR  43           H        THR  43   3.711  -7.068  -4.926
  334    HA   THR  43           HA       THR  43   5.029  -9.229  -6.299
  335    HB   THR  43           HB       THR  43   6.271  -6.635  -5.468
  336    HG1  THR  43          1HG       THR  43   4.326  -6.252  -6.611
  337   1HG2  THR  43          1HG2      THR  43   7.448  -6.957  -7.681
  338   2HG2  THR  43          2HG2      THR  43   6.824  -8.606  -7.650
  339   3HG2  THR  43          3HG2      THR  43   7.907  -8.051  -6.376
  340    H    LYS  44           H        LYS  44   5.974  -7.200  -3.485
  341    HA   LYS  44           HA       LYS  44   6.791  -9.543  -2.012
  342   1HB   LYS  44          1HB       LYS  44   8.764  -8.645  -3.482
  343   2HB   LYS  44          1HB       LYS  44   8.811  -7.340  -2.313
  344   1HG   LYS  44          1HG       LYS  44   9.244  -8.889  -0.520
  345   2HG   LYS  44          1HG       LYS  44   9.062 -10.256  -1.622
  346   1HD   LYS  44          1HD       LYS  44  11.372  -9.992  -1.463
  347   2HD   LYS  44          1HD       LYS  44  10.966  -9.155  -2.963
  348   1HE   LYS  44          1HE       LYS  44  11.336  -7.072  -2.059
  349   2HE   LYS  44          1HE       LYS  44  11.010  -7.612  -0.413
  350   1HZ   LYS  44          1HZ       LYS  44  13.130  -8.861  -0.515
  351   2HZ   LYS  44          2HZ       LYS  44  13.330  -7.185  -0.629
  352   3HZ   LYS  44          3HZ       LYS  44  13.450  -8.147  -2.015
  353    H    MET  45           H        MET  45   6.543  -9.181   0.168
  354    HA   MET  45           HA       MET  45   5.421  -6.609   0.940
  355   1HB   MET  45          1HB       MET  45   4.577  -7.691   2.899
  356   2HB   MET  45          1HB       MET  45   4.330  -8.809   1.576
  357   1HG   MET  45          1HG       MET  45   6.563  -8.955   3.575
  358   2HG   MET  45          1HG       MET  45   5.091  -9.917   3.604
  359   1HE   MET  45          1HE       MET  45   8.185 -10.678   3.668
  360   2HE   MET  45          2HE       MET  45   8.781  -9.800   2.260
  361   3HE   MET  45          3HE       MET  45   8.757 -11.561   2.254
  362    H    TYR  46           H        TYR  46   6.542  -5.086   2.183
  363    HA   TYR  46           HA       TYR  46   9.231  -5.902   2.961
  364   1HB   TYR  46          1HB       TYR  46   8.007  -3.196   2.423
  365   2HB   TYR  46          1HB       TYR  46   9.600  -3.389   3.143
  366    HD1  TYR  46          1HD       TYR  46   8.417  -5.756   0.591
  367    HD2  TYR  46          2HD       TYR  46  10.695  -2.240   1.255
  368    HE1  TYR  46          1HE       TYR  46   9.411  -5.984  -1.627
  369    HE2  TYR  46          2HE       TYR  46  11.705  -2.471  -0.960
  370    HH   TYR  46           HH       TYR  46  11.786  -3.641  -2.845
  371    H    LYS  47           H        LYS  47   6.262  -4.538   4.205
  372    HA   LYS  47           HA       LYS  47   7.152  -5.226   6.921
  373   1HB   LYS  47          1HB       LYS  47   7.000  -2.666   6.299
  374   2HB   LYS  47          1HB       LYS  47   5.271  -2.935   6.485
  375   1HG   LYS  47          1HG       LYS  47   5.526  -3.570   8.756
  376   2HG   LYS  47          1HG       LYS  47   7.283  -3.635   8.606
  377   1HD   LYS  47          1HD       LYS  47   7.404  -1.256   8.321
  378   2HD   LYS  47          1HD       LYS  47   5.646  -1.130   8.243
  379   1HE   LYS  47          1HE       LYS  47   6.517  -0.454  10.433
  380   2HE   LYS  47          1HE       LYS  47   5.468  -1.866  10.548
  381   1HZ   LYS  47          1HZ       LYS  47   8.346  -2.311  10.255
  382   2HZ   LYS  47          2HZ       LYS  47   7.194  -3.222  11.092
  383   3HZ   LYS  47          3HZ       LYS  47   7.776  -1.781  11.758
  384    H    GLY  48           H        GLY  48   5.830  -6.724   7.749
  385   1HA   GLY  48          2HA       GLY  48   3.141  -6.796   8.063
  386   2HA   GLY  48          1HA       GLY  48   3.354  -7.370   6.415
  387    H    PHE  49           H        PHE  49   6.099  -8.394   7.736
  388    HA   PHE  49           HA       PHE  49   5.737 -11.035   7.682
  389   1HB   PHE  49          1HB       PHE  49   7.353  -9.816   9.904
  390   2HB   PHE  49          1HB       PHE  49   7.647 -11.338   9.084
  391    HD1  PHE  49          1HD       PHE  49   7.064  -9.737   6.287
  392    HD2  PHE  49          2HD       PHE  49   9.738  -9.345   9.572
  393    HE1  PHE  49          1HE       PHE  49   8.693  -8.634   4.821
  394    HE2  PHE  49          2HE       PHE  49  11.369  -8.227   8.111
  395    HZ   PHE  49           HZ       PHE  49  10.849  -7.872   5.732
  396    H    GLN  50           H        GLN  50   5.321  -9.160  10.686
  397    HA   GLN  50           HA       GLN  50   4.485 -11.318  12.266
  398   1HB   GLN  50          1HB       GLN  50   3.470  -9.651  13.761
  399   2HB   GLN  50          1HB       GLN  50   5.082  -9.172  13.252
  400   1HG   GLN  50          1HG       GLN  50   3.262  -8.069  11.400
  401   2HG   GLN  50          1HG       GLN  50   2.627  -7.757  13.014
  402   1HE2  GLN  50          1HE2      GLN  50   3.231  -5.873  13.779
  403   2HE2  GLN  50          2HE2      GLN  50   4.748  -5.094  13.506
  404    H    ALA  51           H        ALA  51   2.842  -9.591   9.785
  405    HA   ALA  51           HA       ALA  51   0.231 -10.704  10.472
  406   1HB   ALA  51          1HB       ALA  51   0.866  -8.790   8.240
  407   2HB   ALA  51          2HB       ALA  51   0.464  -8.278   9.879
  408   3HB   ALA  51          3HB       ALA  51  -0.716  -9.172   8.919
  409    H    LEU  52           H        LEU  52   2.902 -11.410   8.650
  410    HA   LEU  52           HA       LEU  52   2.004 -12.471   6.252
  411   1HB   LEU  52          1HB       LEU  52   4.478 -12.633   7.871
  412   2HB   LEU  52          1HB       LEU  52   4.251 -13.873   6.659
  413    HG   LEU  52           HG       LEU  52   4.164 -10.913   6.080
  414   1HD1  LEU  52          1HD1      LEU  52   6.401 -11.807   4.860
  415   2HD1  LEU  52          2HD1      LEU  52   6.413 -12.794   6.321
  416   3HD1  LEU  52          3HD1      LEU  52   6.374 -11.047   6.438
  417   1HD2  LEU  52          1HD2      LEU  52   2.962 -12.618   4.582
  418   2HD2  LEU  52          2HD2      LEU  52   4.581 -13.140   4.122
  419   3HD2  LEU  52          3HD2      LEU  52   4.071 -11.478   3.825
  420    H    GLY  53           H        GLY  53   0.176 -13.364   7.237
  421   1HA   GLY  53          2HA       GLY  53  -0.100 -15.526   8.872
  422   2HA   GLY  53          1HA       GLY  53  -1.160 -15.184   7.522
  423    H    ASP  54           H        ASP  54   0.114 -15.748   5.357
  424    HA   ASP  54           HA       ASP  54   1.121 -18.482   5.675
  425   1HB   ASP  54          1HB       ASP  54   0.352 -18.774   3.246
  426   2HB   ASP  54          1HB       ASP  54  -0.905 -18.754   4.475
  427    H    ALA  55           H        ALA  55   1.029 -16.145   3.104
  428    HA   ALA  55           HA       ALA  55   3.847 -15.612   3.298
  429   1HB   ALA  55          1HB       ALA  55   3.148 -16.313   0.572
  430   2HB   ALA  55          2HB       ALA  55   3.042 -17.674   1.690
  431   3HB   ALA  55          3HB       ALA  55   4.552 -16.772   1.537
  432    H    ALA  56           H        ALA  56   0.880 -15.354   1.511
  433    HA   ALA  56           HA       ALA  56   1.430 -12.513   0.957
  434   1HB   ALA  56          1HB       ALA  56   1.497 -13.669  -1.117
  435   2HB   ALA  56          2HB       ALA  56   0.001 -12.737  -1.042
  436   3HB   ALA  56          3HB       ALA  56  -0.032 -14.481  -0.773
  437    H    ASP  57           H        ASP  57   0.412 -11.944   2.901
  438    HA   ASP  57           HA       ASP  57  -2.445 -12.502   3.078
  439   1HB   ASP  57          1HB       ASP  57  -0.335 -11.616   4.948
  440   2HB   ASP  57          1HB       ASP  57  -1.928 -10.914   5.216
  441    H    ILE  58           H        ILE  58  -0.639 -10.302   1.413
  442    HA   ILE  58           HA       ILE  58  -2.657  -8.170   1.819
  443    HB   ILE  58           HB       ILE  58   0.043  -7.541   0.701
  444   1HG1  ILE  58          1HG1      ILE  58   0.851  -8.498   2.656
  445   2HG1  ILE  58          1HG1      ILE  58   0.628  -6.820   3.102
  446   1HG2  ILE  58          1HG2      ILE  58  -0.481  -5.374   1.189
  447   2HG2  ILE  58          2HG2      ILE  58  -1.560  -5.813   2.516
  448   3HG2  ILE  58          3HG2      ILE  58  -2.077  -6.047   0.843
  449   1HD1  ILE  58          1HD1      ILE  58  -0.150  -8.099   4.909
  450   2HD1  ILE  58          2HD1      ILE  58  -1.032  -9.178   3.859
  451   3HD1  ILE  58          3HD1      ILE  58  -1.593  -7.527   4.083
  452    H    ARG  59           H        ARG  59  -3.901  -9.245   0.012
  453    HA   ARG  59           HA       ARG  59  -2.622  -8.683  -2.556
  454   1HB   ARG  59          1HB       ARG  59  -4.803 -10.451  -2.924
  455   2HB   ARG  59          1HB       ARG  59  -3.087 -10.771  -3.120
  456   1HG   ARG  59          1HG       ARG  59  -3.435 -10.979  -0.399
  457   2HG   ARG  59          1HG       ARG  59  -4.928 -11.652  -1.043
  458   1HD   ARG  59          1HD       ARG  59  -2.549 -12.551  -2.468
  459   2HD   ARG  59          1HD       ARG  59  -2.526 -12.968  -0.763
  460    HE   ARG  59           HE       ARG  59  -4.548 -14.211  -1.085
  461   1HH1  ARG  59          1HH1      ARG  59  -3.034 -13.098  -4.033
  462   2HH1  ARG  59          2HH1      ARG  59  -3.816 -14.280  -5.024
  463   1HH2  ARG  59          1HH2      ARG  59  -5.568 -15.770  -2.395
  464   2HH2  ARG  59          2HH2      ARG  59  -5.252 -15.794  -4.098
  465    H    PHE  60           H        PHE  60  -4.979  -7.555  -0.564
  466    HA   PHE  60           HA       PHE  60  -6.210  -5.949  -2.615
  467   1HB   PHE  60          1HB       PHE  60  -7.846  -7.341  -0.503
  468   2HB   PHE  60          1HB       PHE  60  -8.429  -6.378  -1.856
  469    HD1  PHE  60          1HD       PHE  60  -8.584  -7.287  -4.046
  470    HD2  PHE  60          2HD       PHE  60  -7.077  -9.613  -0.827
  471    HE1  PHE  60          1HE       PHE  60  -8.838  -9.343  -5.399
  472    HE2  PHE  60          2HE       PHE  60  -7.325 -11.659  -2.171
  473    HZ   PHE  60           HZ       PHE  60  -8.209 -11.521  -4.465
  474    H    VAL  61           H        VAL  61  -6.932  -4.136  -2.012
  475    HA   VAL  61           HA       VAL  61  -6.073  -3.181   0.613
  476    HB   VAL  61           HB       VAL  61  -5.271  -1.281  -0.347
  477   1HG1  VAL  61          1HG1      VAL  61  -4.113  -3.355  -1.200
  478   2HG1  VAL  61          2HG1      VAL  61  -3.771  -1.818  -1.996
  479   3HG1  VAL  61          3HG1      VAL  61  -4.874  -2.969  -2.745
  480   1HG2  VAL  61          1HG2      VAL  61  -7.404  -1.594  -2.325
  481   2HG2  VAL  61          2HG2      VAL  61  -5.919  -0.863  -2.926
  482   3HG2  VAL  61          3HG2      VAL  61  -6.772  -0.136  -1.568
  483    H    TYR  62           H        TYR  62  -7.579  -2.443   1.905
  484    HA   TYR  62           HA       TYR  62 -10.196  -1.758   0.872
  485   1HB   TYR  62          1HB       TYR  62  -9.281  -2.425   3.665
  486   2HB   TYR  62          1HB       TYR  62 -10.943  -2.062   3.215
  487    HD1  TYR  62          1HD       TYR  62 -12.251  -3.950   3.234
  488    HD2  TYR  62          2HD       TYR  62  -8.266  -4.271   1.752
  489    HE1  TYR  62          1HE       TYR  62 -12.636  -6.319   2.709
  490    HE2  TYR  62          2HE       TYR  62  -8.646  -6.635   1.234
  491    HH   TYR  62           HH       TYR  62 -11.715  -8.043   1.178
  492    H    THR  63           H        THR  63 -10.363   0.240   0.373
  493    HA   THR  63           HA       THR  63  -9.408   2.402   2.148
  494    HB   THR  63           HB       THR  63  -8.503   3.141   0.166
  495    HG1  THR  63          1HG       THR  63 -10.176   4.615   0.407
  496   1HG2  THR  63          1HG2      THR  63  -9.405   0.937  -0.970
  497   2HG2  THR  63          2HG2      THR  63  -8.856   2.301  -1.932
  498   3HG2  THR  63          3HG2      THR  63 -10.581   2.056  -1.658
  499    HA   PRO  64           HA       PRO  64 -13.707   3.122   3.362
  500   1HB   PRO  64          1HB       PRO  64 -12.663   5.924   3.338
  501   2HB   PRO  64          1HB       PRO  64 -13.666   5.106   4.543
  502   1HG   PRO  64          1HG       PRO  64 -11.058   5.461   4.955
  503   2HG   PRO  64          1HG       PRO  64 -11.869   3.969   5.462
  504   1HD   PRO  64          1HD       PRO  64 -10.005   4.431   3.207
  505   2HD   PRO  64          1HD       PRO  64 -10.299   2.955   4.137
  506    H    ALA  65           H        ALA  65 -15.481   3.652   2.193
  507    HA   ALA  65           HA       ALA  65 -15.161   4.729  -0.425
  508   1HB   ALA  65          1HB       ALA  65 -17.671   3.799  -0.453
  509   2HB   ALA  65          2HB       ALA  65 -16.967   2.788   0.809
  510   3HB   ALA  65          3HB       ALA  65 -16.260   2.813  -0.797
  511    H    MET  66           H        MET  66 -15.021   6.967   0.531
  512    HA   MET  66           HA       MET  66 -17.702   8.115   0.530
  513   1HB   MET  66          1HB       MET  66 -15.736   8.387   2.782
  514   2HB   MET  66          1HB       MET  66 -16.902   9.661   2.454
  515   1HG   MET  66          1HG       MET  66 -17.510   6.797   3.142
  516   2HG   MET  66          1HG       MET  66 -17.740   8.205   4.175
  517   1HE   MET  66          1HE       MET  66 -19.025  10.110   1.368
  518   2HE   MET  66          2HE       MET  66 -18.985  10.311   3.118
  519   3HE   MET  66          3HE       MET  66 -20.530  10.152   2.281
  520    H    GLU  67           H        GLU  67 -17.651  10.524   0.332
  521    HA   GLU  67           HA       GLU  67 -15.781  11.267  -1.714
  522   1HB   GLU  67          1HB       GLU  67 -18.242  12.406  -0.522
  523   2HB   GLU  67          1HB       GLU  67 -17.107  13.567  -1.198
  524   1HG   GLU  67          1HG       GLU  67 -17.256  11.654  -3.158
  525   2HG   GLU  67          1HG       GLU  67 -18.902  11.708  -2.531
  526    H    SER  68           H        SER  68 -14.023  12.562  -1.567
  527    HA   SER  68           HA       SER  68 -12.284  13.708  -0.643
  528   1HB   SER  68          1HB       SER  68 -13.966  15.478  -0.390
  529   2HB   SER  68          1HB       SER  68 -14.458  14.801   1.162
  530    HG   SER  68           HG       SER  68 -12.923  15.935   2.011
  531    H    VAL  69           H        VAL  69 -12.870  11.076   0.320
  532    HA   VAL  69           HA       VAL  69 -12.238  11.146   3.169
  533    HB   VAL  69           HB       VAL  69 -13.999   9.619   2.243
  534   1HG1  VAL  69          1HG1      VAL  69 -11.631   8.336   0.940
  535   2HG1  VAL  69          2HG1      VAL  69 -13.165   8.811   0.227
  536   3HG1  VAL  69          3HG1      VAL  69 -13.094   7.428   1.314
  537   1HG2  VAL  69          1HG2      VAL  69 -12.733   9.296   4.420
  538   2HG2  VAL  69          2HG2      VAL  69 -11.820   8.049   3.569
  539   3HG2  VAL  69          3HG2      VAL  69 -13.565   7.889   3.759
  540    H    CYS  70           H        CYS  70 -10.649   9.535   3.965
  541    HA   CYS  70           HA       CYS  70  -8.204   9.662   2.361
  542   1HB   CYS  70          1HB       CYS  70  -7.291   8.560   4.601
  543   2HB   CYS  70          1HB       CYS  70  -7.532  10.298   4.491
  544    H    GLY  71           H        GLY  71  -9.275   8.127   0.908
  545   1HA   GLY  71          2HA       GLY  71  -9.172   5.396   1.974
  546   2HA   GLY  71          1HA       GLY  71 -10.253   5.912   0.688
  547    H    TYR  72           H        TYR  72  -9.276   6.574  -1.353
  548    HA   TYR  72           HA       TYR  72  -6.529   6.023  -1.781
  549   1HB   TYR  72          1HB       TYR  72  -7.804   3.765  -1.507
  550   2HB   TYR  72          1HB       TYR  72  -8.224   4.047  -3.197
  551    HD1  TYR  72          1HD       TYR  72  -6.850   2.745  -4.589
  552    HD2  TYR  72          2HD       TYR  72  -5.168   4.609  -1.162
  553    HE1  TYR  72          1HE       TYR  72  -4.631   1.877  -5.209
  554    HE2  TYR  72          2HE       TYR  72  -2.953   3.761  -1.771
  555    HH   TYR  72           HH       TYR  72  -2.330   2.270  -4.827
  556    H    PHE  73           H        PHE  73  -5.834   6.213  -3.850
  557    HA   PHE  73           HA       PHE  73  -7.624   7.286  -5.863
  558   1HB   PHE  73          1HB       PHE  73  -5.478   8.803  -4.470
  559   2HB   PHE  73          1HB       PHE  73  -5.618   9.021  -6.211
  560    HD1  PHE  73          1HD       PHE  73  -7.996   9.569  -7.096
  561    HD2  PHE  73          2HD       PHE  73  -6.771  10.089  -3.068
  562    HE1  PHE  73          1HE       PHE  73  -9.831  11.171  -6.747
  563    HE2  PHE  73          2HE       PHE  73  -8.605  11.681  -2.697
  564    HZ   PHE  73           HZ       PHE  73 -10.139  12.228  -4.544
  565    H    HIS  74           H        HIS  74  -7.185   5.236  -6.750
  566    HA   HIS  74           HA       HIS  74  -4.449   4.797  -7.654
  567   1HB   HIS  74          1HB       HIS  74  -5.165   2.915  -6.578
  568   2HB   HIS  74          1HB       HIS  74  -6.822   3.079  -7.111
  569    HD1  HIS  74          1HD       HIS  74  -7.388   1.119  -8.492
  570    HD2  HIS  74          2HD       HIS  74  -3.489   2.357  -9.169
  571    HE1  HIS  74          1HE       HIS  74  -6.502  -0.427 -10.256
  572    HE2  HIS  74          2HE       HIS  74  -4.162   0.384 -10.691
  573    H    ARG  75           H        ARG  75  -4.046   5.842  -9.405
  574    HA   ARG  75           HA       ARG  75  -5.965   5.864 -11.623
  575   1HB   ARG  75          1HB       ARG  75  -3.650   7.604 -10.829
  576   2HB   ARG  75          1HB       ARG  75  -4.286   7.646 -12.464
  577   1HG   ARG  75          1HG       ARG  75  -5.109   9.374 -10.765
  578   2HG   ARG  75          1HG       ARG  75  -6.287   8.584 -11.804
  579   1HD   ARG  75          1HD       ARG  75  -6.352   6.933  -9.689
  580   2HD   ARG  75          1HD       ARG  75  -5.908   8.427  -8.880
  581    HE   ARG  75           HE       ARG  75  -8.437   7.763 -10.062
  582   1HH1  ARG  75          1HH1      ARG  75  -6.331  10.388  -9.122
  583   2HH1  ARG  75          2HH1      ARG  75  -7.617  11.544  -9.021
  584   1HH2  ARG  75          1HH2      ARG  75 -10.123   9.289  -9.937
  585   2HH2  ARG  75          2HH2      ARG  75  -9.765  10.922  -9.483
  586    H    SER  76           H        SER  76  -3.904   3.695 -10.810
  587    HA   SER  76           HA       SER  76  -2.901   3.314 -13.531
  588   1HB   SER  76          1HB       SER  76  -1.205   3.420 -11.048
  589   2HB   SER  76          1HB       SER  76  -0.702   2.470 -12.445
  590    HG   SER  76           HG       SER  76  -1.491   5.146 -12.789
  591    H    HIS  77           H        HIS  77  -4.401   1.627 -13.794
  592    HA   HIS  77           HA       HIS  77  -4.380  -0.626 -11.978
  593   1HB   HIS  77          1HB       HIS  77  -5.974  -1.653 -13.587
  594   2HB   HIS  77          1HB       HIS  77  -6.499  -0.081 -12.997
  595    HD1  HIS  77          1HD       HIS  77  -7.108  -1.669 -15.814
  596    HD2  HIS  77          2HD       HIS  77  -4.858   1.765 -15.204
  597    HE1  HIS  77          1HE       HIS  77  -7.100  -0.464 -18.020
  598    HE2  HIS  77          2HE       HIS  77  -5.840   1.672 -17.583
  599    H    ASN  78           H        ASN  78  -1.990   0.137 -13.212
  600    HA   ASN  78           HA       ASN  78  -1.274  -1.492 -15.381
  601   1HB   ASN  78          1HB       ASN  78   0.021   0.505 -14.169
  602   2HB   ASN  78          1HB       ASN  78   0.876  -0.851 -13.435
  603   1HD2  ASN  78          1HD2      ASN  78   0.453   1.050 -16.231
  604   2HD2  ASN  78          2HD2      ASN  78   1.566   0.215 -17.253
  605    H    ARG  79           H        ARG  79  -1.350  -3.594 -15.485
  606    HA   ARG  79           HA       ARG  79  -1.315  -5.274 -13.187
  607   1HB   ARG  79          1HB       ARG  79  -1.361  -5.874 -16.147
  608   2HB   ARG  79          1HB       ARG  79  -1.453  -7.115 -14.905
  609   1HG   ARG  79          1HG       ARG  79  -3.398  -4.874 -14.781
  610   2HG   ARG  79          1HG       ARG  79  -3.614  -6.102 -16.030
  611   1HD   ARG  79          1HD       ARG  79  -3.168  -7.674 -13.896
  612   2HD   ARG  79          1HD       ARG  79  -3.903  -6.289 -13.113
  613    HE   ARG  79           HE       ARG  79  -5.805  -6.604 -14.672
  614   1HH1  ARG  79          1HH1      ARG  79  -3.695  -9.291 -13.930
  615   2HH1  ARG  79          2HH1      ARG  79  -4.888 -10.487 -14.298
  616   1HH2  ARG  79          1HH2      ARG  79  -7.371  -8.183 -15.155
  617   2HH2  ARG  79          2HH2      ARG  79  -6.972  -9.861 -14.993
  618    H    SER  80           H        SER  80   1.090  -4.273 -15.491
  619    HA   SER  80           HA       SER  80   2.995  -6.284 -14.484
  620   1HB   SER  80          1HB       SER  80   2.745  -4.689 -16.989
  621   2HB   SER  80          1HB       SER  80   4.373  -5.056 -16.423
  622    HG   SER  80           HG       SER  80   2.524  -6.685 -17.583
  623    H    GLU  81           H        GLU  81   2.177  -2.831 -14.167
  624    HA   GLU  81           HA       GLU  81   4.910  -2.154 -13.545
  625   1HB   GLU  81          1HB       GLU  81   2.959  -0.664 -14.504
  626   2HB   GLU  81          1HB       GLU  81   2.671  -0.351 -12.805
  627   1HG   GLU  81          1HG       GLU  81   4.808   0.606 -12.535
  628   2HG   GLU  81          1HG       GLU  81   5.359  -0.006 -14.095
  629    H    GLU  82           H        GLU  82   5.869  -2.350 -11.679
  630    HA   GLU  82           HA       GLU  82   4.655  -3.412  -9.350
  631   1HB   GLU  82          1HB       GLU  82   7.239  -1.960  -9.093
  632   2HB   GLU  82          1HB       GLU  82   6.763  -3.518  -8.442
  633   1HG   GLU  82          1HG       GLU  82   7.151  -4.582 -10.535
  634   2HG   GLU  82          1HG       GLU  82   7.400  -3.041 -11.342
  635    H    PHE  83           H        PHE  83   5.051  -2.225  -7.123
  636    HA   PHE  83           HA       PHE  83   4.788   0.612  -7.229
  637   1HB   PHE  83          1HB       PHE  83   2.382  -1.061  -6.942
  638   2HB   PHE  83          1HB       PHE  83   2.524   0.264  -5.802
  639    HD1  PHE  83          1HD       PHE  83   1.976  -0.663  -9.293
  640    HD2  PHE  83          2HD       PHE  83   2.531   2.573  -6.583
  641    HE1  PHE  83          1HE       PHE  83   1.119   0.901 -10.985
  642    HE2  PHE  83          2HE       PHE  83   1.675   4.140  -8.273
  643    HZ   PHE  83           HZ       PHE  83   0.967   3.305 -10.477
  644    H    LEU  84           H        LEU  84   4.136   1.431  -5.020
  645    HA   LEU  84           HA       LEU  84   5.479  -0.120  -2.876
  646   1HB   LEU  84          1HB       LEU  84   6.844   1.810  -3.733
  647   2HB   LEU  84          1HB       LEU  84   5.578   2.890  -3.197
  648    HG   LEU  84           HG       LEU  84   7.587   2.709  -1.694
  649   1HD1  LEU  84          1HD1      LEU  84   6.298   2.836   0.320
  650   2HD1  LEU  84          2HD1      LEU  84   4.959   1.970  -0.429
  651   3HD1  LEU  84          3HD1      LEU  84   5.387   3.587  -0.989
  652   1HD2  LEU  84          1HD2      LEU  84   7.580   0.121  -1.996
  653   2HD2  LEU  84          2HD2      LEU  84   6.422   0.160  -0.665
  654   3HD2  LEU  84          3HD2      LEU  84   8.039   0.828  -0.447
  655    H    ILE  85           H        ILE  85   4.093  -0.584  -1.228
  656    HA   ILE  85           HA       ILE  85   1.775   1.222  -0.897
  657    HB   ILE  85           HB       ILE  85   1.870  -1.795  -0.748
  658   1HG1  ILE  85          1HG1      ILE  85   1.868  -0.881  -3.017
  659   2HG1  ILE  85          1HG1      ILE  85   0.335  -1.672  -2.665
  660   1HG2  ILE  85          1HG2      ILE  85   0.314  -1.113   0.932
  661   2HG2  ILE  85          2HG2      ILE  85  -0.632  -1.597  -0.475
  662   3HG2  ILE  85          3HG2      ILE  85  -0.387   0.113  -0.124
  663   1HD1  ILE  85          1HD1      ILE  85  -0.603   0.172  -3.476
  664   2HD1  ILE  85          2HD1      ILE  85   0.898   1.090  -3.362
  665   3HD1  ILE  85          3HD1      ILE  85  -0.148   0.931  -1.951
  666    H    ALA  86           H        ALA  86   1.945   2.240   0.917
  667    HA   ALA  86           HA       ALA  86   2.898   0.933   3.422
  668   1HB   ALA  86          1HB       ALA  86   4.086   2.927   3.387
  669   2HB   ALA  86          2HB       ALA  86   2.658   3.409   4.303
  670   3HB   ALA  86          3HB       ALA  86   2.786   3.808   2.596
  671    H    GLY  87           H        GLY  87   1.244   0.088   4.608
  672   1HA   GLY  87          2HA       GLY  87  -1.065   1.566   5.394
  673   2HA   GLY  87          1HA       GLY  87  -1.501   0.398   4.159
  674    H    LYS  88           H        LYS  88  -2.279   0.551   7.065
  675    HA   LYS  88           HA       LYS  88  -1.010  -1.719   8.325
  676   1HB   LYS  88          1HB       LYS  88  -3.352  -0.015   9.207
  677   2HB   LYS  88          1HB       LYS  88  -2.609  -1.272  10.179
  678   1HG   LYS  88          1HG       LYS  88  -0.493   0.016  10.122
  679   2HG   LYS  88          1HG       LYS  88  -1.332   1.301   9.269
  680   1HD   LYS  88          1HD       LYS  88  -2.522   1.914  11.120
  681   2HD   LYS  88          1HD       LYS  88  -2.496   0.289  11.804
  682   1HE   LYS  88          1HE       LYS  88  -0.470   0.598  12.809
  683   2HE   LYS  88          1HE       LYS  88   0.084   1.723  11.577
  684   1HZ   LYS  88          1HZ       LYS  88  -0.705   2.428  14.040
  685   2HZ   LYS  88          2HZ       LYS  88  -2.133   2.670  13.167
  686   3HZ   LYS  88          3HZ       LYS  88  -0.715   3.468  12.705
  687    H    LEU  89           H        LEU  89  -2.644  -3.381   9.432
  688    HA   LEU  89           HA       LEU  89  -4.516  -4.242   7.337
  689   1HB   LEU  89          1HB       LEU  89  -2.514  -5.683   8.964
  690   2HB   LEU  89          1HB       LEU  89  -4.031  -6.516   8.709
  691    HG   LEU  89           HG       LEU  89  -2.018  -5.664   6.646
  692   1HD1  LEU  89          1HD1      LEU  89  -2.466  -8.037   8.086
  693   2HD1  LEU  89          2HD1      LEU  89  -1.396  -7.815   6.706
  694   3HD1  LEU  89          3HD1      LEU  89  -3.052  -8.340   6.453
  695   1HD2  LEU  89          1HD2      LEU  89  -4.769  -5.604   6.282
  696   2HD2  LEU  89          2HD2      LEU  89  -4.237  -7.113   5.560
  697   3HD2  LEU  89          3HD2      LEU  89  -3.527  -5.593   5.039
  698    H    GLN  90           H        GLN  90  -6.558  -4.154   7.883
  699    HA   GLN  90           HA       GLN  90  -7.294  -4.206  10.717
  700   1HB   GLN  90          1HB       GLN  90  -8.508  -3.034   8.348
  701   2HB   GLN  90          1HB       GLN  90  -9.670  -3.803   9.412
  702   1HG   GLN  90          1HG       GLN  90  -9.252  -2.349  11.135
  703   2HG   GLN  90          1HG       GLN  90  -7.624  -1.983  10.573
  704   1HE2  GLN  90          1HE2      GLN  90 -10.983  -1.226  10.318
  705   2HE2  GLN  90          2HE2      GLN  90 -10.805   0.209   9.371
  706    H    ASP  91           H        ASP  91  -7.859  -5.980  11.674
  707    HA   ASP  91           HA       ASP  91  -8.253  -8.243  11.932
  708   1HB   ASP  91          1HB       ASP  91 -10.627  -7.095  10.488
  709   2HB   ASP  91          1HB       ASP  91 -10.609  -8.776  11.011
  710    H    GLY  92           H        GLY  92  -6.714  -7.582   9.504
  711   1HA   GLY  92          2HA       GLY  92  -5.852  -9.589   8.281
  712   2HA   GLY  92          1HA       GLY  92  -7.524  -9.847   7.802
  713    H    LEU  93           H        LEU  93  -8.448  -7.543   7.015
  714    HA   LEU  93           HA       LEU  93  -7.336  -7.229   4.484
  715   1HB   LEU  93          1HB       LEU  93  -9.418  -5.506   5.815
  716   2HB   LEU  93          1HB       LEU  93  -9.134  -5.651   4.097
  717    HG   LEU  93           HG       LEU  93 -11.032  -6.945   4.481
  718   1HD1  LEU  93          1HD1      LEU  93  -9.384  -8.133   3.128
  719   2HD1  LEU  93          2HD1      LEU  93 -10.384  -9.246   4.056
  720   3HD1  LEU  93          3HD1      LEU  93  -8.739  -8.892   4.578
  721   1HD2  LEU  93          1HD2      LEU  93 -11.318  -7.174   6.740
  722   2HD2  LEU  93          2HD2      LEU  93  -9.678  -7.739   7.002
  723   3HD2  LEU  93          3HD2      LEU  93 -10.871  -8.819   6.298
  724    H    LEU  94           H        LEU  94  -6.214  -5.771   3.495
  725    HA   LEU  94           HA       LEU  94  -4.572  -3.981   5.004
  726   1HB   LEU  94          1HB       LEU  94  -3.662  -5.226   3.121
  727   2HB   LEU  94          1HB       LEU  94  -4.779  -4.416   2.037
  728    HG   LEU  94           HG       LEU  94  -3.694  -2.237   2.683
  729   1HD1  LEU  94          1HD1      LEU  94  -2.540  -3.741   4.665
  730   2HD1  LEU  94          2HD1      LEU  94  -2.050  -2.119   4.173
  731   3HD1  LEU  94          3HD1      LEU  94  -1.224  -3.530   3.510
  732   1HD2  LEU  94          1HD2      LEU  94  -1.873  -4.239   1.389
  733   2HD2  LEU  94          2HD2      LEU  94  -1.834  -2.502   1.180
  734   3HD2  LEU  94          3HD2      LEU  94  -3.203  -3.436   0.577
  735    H    HIS  95           H        HIS  95  -5.121  -2.032   5.606
  736    HA   HIS  95           HA       HIS  95  -6.971  -0.539   3.900
  737   1HB   HIS  95          1HB       HIS  95  -6.135  -0.107   6.765
  738   2HB   HIS  95          1HB       HIS  95  -7.175   1.000   5.870
  739    HD1  HIS  95          1HD       HIS  95  -9.525   0.627   6.503
  740    HD2  HIS  95          2HD       HIS  95  -7.398  -2.928   6.338
  741    HE1  HIS  95          1HE       HIS  95 -11.199  -1.179   7.009
  742    HE2  HIS  95          2HE       HIS  95  -9.910  -3.332   6.808
  743    H    ILE  96           H        ILE  96  -6.595   1.403   3.040
  744    HA   ILE  96           HA       ILE  96  -3.934   2.597   3.345
  745    HB   ILE  96           HB       ILE  96  -3.804   3.072   0.924
  746   1HG1  ILE  96          1HG1      ILE  96  -6.250   2.876   0.467
  747   2HG1  ILE  96          1HG1      ILE  96  -5.245   1.990  -0.673
  748   1HG2  ILE  96          1HG2      ILE  96  -2.438   1.309   1.394
  749   2HG2  ILE  96          2HG2      ILE  96  -3.525   0.548   0.233
  750   3HG2  ILE  96          3HG2      ILE  96  -3.760   0.287   1.961
  751   1HD1  ILE  96          1HD1      ILE  96  -6.530   0.660   1.681
  752   2HD1  ILE  96          2HD1      ILE  96  -5.846  -0.070   0.251
  753   3HD1  ILE  96          3HD1      ILE  96  -7.341   0.844   0.135
  754    H    THR  97           H        THR  97  -3.894   4.847   2.938
  755    HA   THR  97           HA       THR  97  -6.500   6.135   2.606
  756    HB   THR  97           HB       THR  97  -5.707   7.768   4.428
  757    HG1  THR  97          1HG       THR  97  -3.587   7.041   4.587
  758   1HG2  THR  97          1HG2      THR  97  -6.921   5.148   4.745
  759   2HG2  THR  97          2HG2      THR  97  -7.366   6.700   5.457
  760   3HG2  THR  97          3HG2      THR  97  -6.107   5.717   6.203
  761    H    THR  98           H        THR  98  -6.473   8.036   1.500
  762    HA   THR  98           HA       THR  98  -4.311   8.634  -0.187
  763    HB   THR  98           HB       THR  98  -5.573  10.643  -0.791
  764    HG1  THR  98          1HG       THR  98  -6.401  10.604   1.670
  765   1HG2  THR  98          1HG2      THR  98  -7.932   9.133  -0.627
  766   2HG2  THR  98          2HG2      THR  98  -6.601   7.990  -0.815
  767   3HG2  THR  98          3HG2      THR  98  -6.822   9.279  -1.981
  768    H    CYS  99           H        CYS  99  -4.391   9.063   3.046
  769    HA   CYS  99           HA       CYS  99  -2.548  11.368   2.981
  770   1HB   CYS  99          1HB       CYS  99  -4.537  10.453   5.040
  771   2HB   CYS  99          1HB       CYS  99  -3.143  11.406   5.535
  772    H    SER 100           H        SER 100  -2.131   8.484   2.476
  773    HA   SER 100           HA       SER 100  -0.179   7.845   4.593
  774   1HB   SER 100          1HB       SER 100  -2.201   6.136   3.232
  775   2HB   SER 100          1HB       SER 100  -0.619   5.420   3.519
  776    HG   SER 100           HG       SER 100  -2.605   5.777   5.248
  777    H    PHE 101           H        PHE 101   1.753   6.574   3.742
  778    HA   PHE 101           HA       PHE 101   2.650   7.792   1.327
  779   1HB   PHE 101          1HB       PHE 101   4.117   7.153   3.297
  780   2HB   PHE 101          1HB       PHE 101   4.040   5.500   2.695
  781    HD1  PHE 101          1HD       PHE 101   5.841   8.502   2.611
  782    HD2  PHE 101          2HD       PHE 101   4.654   5.244   0.143
  783    HE1  PHE 101          1HE       PHE 101   7.695   8.997   1.071
  784    HE2  PHE 101          2HE       PHE 101   6.508   5.734  -1.399
  785    HZ   PHE 101           HZ       PHE 101   8.032   7.611  -0.935
  786    H    VAL 102           H        VAL 102   1.743   7.108  -0.616
  787    HA   VAL 102           HA       VAL 102   2.002   4.254  -1.237
  788    HB   VAL 102           HB       VAL 102  -0.612   5.663  -1.761
  789   1HG1  VAL 102          1HG1      VAL 102  -0.712   3.936  -3.209
  790   2HG1  VAL 102          2HG1      VAL 102  -1.149   3.022  -1.767
  791   3HG1  VAL 102          3HG1      VAL 102   0.514   3.005  -2.350
  792   1HG2  VAL 102          1HG2      VAL 102   0.239   4.963   0.743
  793   2HG2  VAL 102          2HG2      VAL 102  -0.626   3.523   0.232
  794   3HG2  VAL 102          3HG2      VAL 102  -1.440   5.086   0.240
  795    H    ALA 103           H        ALA 103   3.374   4.412  -2.937
  796    HA   ALA 103           HA       ALA 103   2.355   5.546  -5.405
  797   1HB   ALA 103          1HB       ALA 103   3.417   7.485  -5.411
  798   2HB   ALA 103          2HB       ALA 103   4.964   6.674  -5.166
  799   3HB   ALA 103          3HB       ALA 103   3.991   7.157  -3.777
  800    HA   PRO 104           HA       PRO 104   4.813   2.654  -7.738
  801   1HB   PRO 104          1HB       PRO 104   6.451   4.873  -8.827
  802   2HB   PRO 104          1HB       PRO 104   5.625   3.566  -9.678
  803   1HG   PRO 104          1HG       PRO 104   4.610   6.023  -9.684
  804   2HG   PRO 104          1HG       PRO 104   3.538   4.620  -9.504
  805   1HD   PRO 104          1HD       PRO 104   4.483   6.566  -7.433
  806   2HD   PRO 104          1HD       PRO 104   2.906   5.765  -7.590
  807    H    TRP 105           H        TRP 105   6.352   1.391  -6.972
  808    HA   TRP 105           HA       TRP 105   8.515   2.063  -5.386
  809   1HB   TRP 105          1HB       TRP 105   7.608  -0.216  -6.047
  810   2HB   TRP 105          1HB       TRP 105   8.386  -0.013  -7.585
  811    HD1  TRP 105           HD       TRP 105  10.476  -1.349  -7.731
  812    HE1  TRP 105          1HE       TRP 105  12.301  -2.105  -6.107
  813    HE3  TRP 105          3HE       TRP 105   8.729   0.869  -3.481
  814    HZ2  TRP 105          2HZ       TRP 105  12.924  -1.806  -3.363
  815    HZ3  TRP 105          3HZ       TRP 105  10.002   0.590  -1.394
  816    HH2  TRP 105           HH       TRP 105  12.060  -0.719  -1.345
  817    H    ASN 106           H        ASN 106   8.159   1.491  -8.783
  818    HA   ASN 106           HA       ASN 106  10.607   2.031  -9.687
  819   1HB   ASN 106          1HB       ASN 106   7.962   2.184 -11.025
  820   2HB   ASN 106          1HB       ASN 106   9.438   2.542 -11.915
  821   1HD2  ASN 106          1HD2      ASN 106   7.309   0.165 -11.064
  822   2HD2  ASN 106          2HD2      ASN 106   8.292  -1.217 -11.386
  823    H    SER 107           H        SER 107   9.266   4.256  -8.035
  824    HA   SER 107           HA       SER 107  10.326   6.455  -9.674
  825   1HB   SER 107          1HB       SER 107   7.896   6.454  -7.903
  826   2HB   SER 107          1HB       SER 107   8.773   7.951  -8.224
  827    HG   SER 107           HG       SER 107   7.607   6.227 -10.155
  828    H    LEU 108           H        LEU 108  10.848   4.520  -7.309
  829    HA   LEU 108           HA       LEU 108  11.835   6.284  -5.271
  830   1HB   LEU 108          1HB       LEU 108  11.293   3.439  -5.618
  831   2HB   LEU 108          1HB       LEU 108  12.584   3.820  -4.502
  832    HG   LEU 108           HG       LEU 108  10.755   5.483  -3.534
  833   1HD1  LEU 108          1HD1      LEU 108   8.681   5.184  -4.262
  834   2HD1  LEU 108          2HD1      LEU 108   8.769   3.461  -3.897
  835   3HD1  LEU 108          3HD1      LEU 108   9.291   4.056  -5.471
  836   1HD2  LEU 108          1HD2      LEU 108  11.516   4.047  -1.973
  837   2HD2  LEU 108          2HD2      LEU 108  11.418   2.654  -3.050
  838   3HD2  LEU 108          3HD2      LEU 108   9.964   3.261  -2.257
  839    H    SER 109           H        SER 109  13.753   5.801  -4.239
  840    HA   SER 109           HA       SER 109  16.066   6.081  -5.926
  841   1HB   SER 109          1HB       SER 109  16.299   5.579  -2.997
  842   2HB   SER 109          1HB       SER 109  17.220   6.670  -4.015
  843    HG   SER 109           HG       SER 109  15.778   8.189  -3.706
  844    H    LEU 110           H        LEU 110  16.918   4.534  -6.832
  845    HA   LEU 110           HA       LEU 110  16.754   1.888  -6.701
  846   1HB   LEU 110          1HB       LEU 110  19.119   1.756  -7.389
  847   2HB   LEU 110          1HB       LEU 110  18.245   3.017  -8.223
  848    HG   LEU 110           HG       LEU 110  20.410   3.821  -7.687
  849   1HD1  LEU 110          1HD1      LEU 110  18.339   5.100  -5.980
  850   2HD1  LEU 110          2HD1      LEU 110  18.876   5.569  -7.589
  851   3HD1  LEU 110          3HD1      LEU 110  19.950   5.763  -6.206
  852   1HD2  LEU 110          1HD2      LEU 110  21.351   2.653  -6.015
  853   2HD2  LEU 110          2HD2      LEU 110  19.908   2.708  -5.029
  854   3HD2  LEU 110          3HD2      LEU 110  20.929   4.129  -5.154
  855    H    ALA 111           H        ALA 111  18.402   3.908  -4.392
  856    HA   ALA 111           HA       ALA 111  19.574   1.741  -2.948
  857   1HB   ALA 111          1HB       ALA 111  20.808   3.302  -1.874
  858   2HB   ALA 111          2HB       ALA 111  19.457   4.434  -1.753
  859   3HB   ALA 111          3HB       ALA 111  20.330   4.256  -3.280
  860    H    GLN 112           H        GLN 112  16.867   3.815  -2.781
  861    HA   GLN 112           HA       GLN 112  15.976   3.000  -0.161
  862   1HB   GLN 112          1HB       GLN 112  15.683   5.318  -1.035
  863   2HB   GLN 112          1HB       GLN 112  14.702   4.679  -2.344
  864   1HG   GLN 112          1HG       GLN 112  13.041   3.964  -0.794
  865   2HG   GLN 112          1HG       GLN 112  14.025   4.491   0.543
  866   1HE2  GLN 112          1HE2      GLN 112  13.128   6.216   1.430
  867   2HE2  GLN 112          2HE2      GLN 112  12.505   7.576   0.569
  868    H    ARG 113           H        ARG 113  16.099   1.795  -3.189
  869    HA   ARG 113           HA       ARG 113  13.581   0.398  -3.269
  870   1HB   ARG 113          1HB       ARG 113  15.626   1.000  -5.077
  871   2HB   ARG 113          1HB       ARG 113  15.797  -0.730  -4.806
  872   1HG   ARG 113          1HG       ARG 113  14.323  -0.857  -6.492
  873   2HG   ARG 113          1HG       ARG 113  13.161  -0.550  -5.219
  874   1HD   ARG 113          1HD       ARG 113  12.604   1.437  -6.041
  875   2HD   ARG 113          1HD       ARG 113  14.308   1.900  -6.219
  876    HE   ARG 113           HE       ARG 113  12.560   0.996  -8.271
  877   1HH1  ARG 113          1HH1      ARG 113  15.883   0.845  -7.227
  878   2HH1  ARG 113          2HH1      ARG 113  16.509   0.619  -8.825
  879   1HH2  ARG 113          1HH2      ARG 113  13.377   0.684 -10.368
  880   2HH2  ARG 113          2HH2      ARG 113  15.084   0.523 -10.608
  881    H    ARG 114           H        ARG 114  17.006  -0.157  -2.440
  882    HA   ARG 114           HA       ARG 114  16.404  -2.791  -1.413
  883   1HB   ARG 114          1HB       ARG 114  18.655  -3.065  -1.032
  884   2HB   ARG 114          1HB       ARG 114  18.646  -1.994  -2.416
  885   1HG   ARG 114          1HG       ARG 114  20.308  -1.143  -1.054
  886   2HG   ARG 114          1HG       ARG 114  18.930  -0.115  -0.693
  887   1HD   ARG 114          1HD       ARG 114  18.507  -1.263   1.353
  888   2HD   ARG 114          1HD       ARG 114  19.622  -2.552   0.922
  889    HE   ARG 114           HE       ARG 114  21.292  -1.298   1.812
  890   1HH1  ARG 114          1HH1      ARG 114  18.706   0.857   0.924
  891   2HH1  ARG 114          2HH1      ARG 114  19.484   2.264   1.547
  892   1HH2  ARG 114          1HH2      ARG 114  22.328   0.555   2.637
  893   2HH2  ARG 114          2HH2      ARG 114  21.544   2.095   2.518
  894    H    GLY 115           H        GLY 115  17.317   0.358  -0.086
  895   1HA   GLY 115          2HA       GLY 115  17.235  -0.246   2.615
  896   2HA   GLY 115          1HA       GLY 115  16.802   1.324   1.938
  897    H    PHE 116           H        PHE 116  14.438   0.755   0.514
  898    HA   PHE 116           HA       PHE 116  12.724   0.612   2.747
  899   1HB   PHE 116          1HB       PHE 116  12.237   0.667  -0.167
  900   2HB   PHE 116          1HB       PHE 116  10.980  -0.138   0.749
  901    HD1  PHE 116          1HD       PHE 116  12.090   2.932  -0.507
  902    HD2  PHE 116          2HD       PHE 116  10.085   1.203   2.782
  903    HE1  PHE 116          1HE       PHE 116  11.016   5.100  -0.023
  904    HE2  PHE 116          2HE       PHE 116   9.014   3.351   3.297
  905    HZ   PHE 116           HZ       PHE 116   9.474   5.307   1.888
  906    H    THR 117           H        THR 117  14.366  -1.772   1.227
  907    HA   THR 117           HA       THR 117  12.511  -3.880   1.986
  908    HB   THR 117           HB       THR 117  13.988  -3.640  -0.287
  909    HG1  THR 117          1HG       THR 117  12.302  -5.277   0.625
  910   1HG2  THR 117          1HG2      THR 117  15.595  -5.384   1.550
  911   2HG2  THR 117          2HG2      THR 117  16.146  -4.106   0.471
  912   3HG2  THR 117          3HG2      THR 117  15.563  -5.624  -0.194
  913    H    LYS 118           H        LYS 118  15.247  -2.182   3.079
  914    HA   LYS 118           HA       LYS 118  15.507  -4.073   5.283
  915   1HB   LYS 118          1HB       LYS 118  17.820  -4.326   5.098
  916   2HB   LYS 118          1HB       LYS 118  17.226  -4.459   3.450
  917   1HG   LYS 118          1HG       LYS 118  18.445  -2.739   2.768
  918   2HG   LYS 118          1HG       LYS 118  17.937  -1.731   4.117
  919   1HD   LYS 118          1HD       LYS 118  19.564  -3.035   5.543
  920   2HD   LYS 118          1HD       LYS 118  20.185  -3.723   4.042
  921   1HE   LYS 118          1HE       LYS 118  21.148  -1.770   3.392
  922   2HE   LYS 118          1HE       LYS 118  19.943  -0.772   4.197
  923   1HZ   LYS 118          1HZ       LYS 118  22.472  -1.728   5.154
  924   2HZ   LYS 118          2HZ       LYS 118  21.210  -2.011   6.245
  925   3HZ   LYS 118          3HZ       LYS 118  21.525  -0.440   5.707
  926    H    THR 119           H        THR 119  16.266  -0.812   4.133
  927    HA   THR 119           HA       THR 119  17.347   0.218   6.526
  928    HB   THR 119           HB       THR 119  16.890   2.427   5.466
  929    HG1  THR 119          1HG       THR 119  15.238   1.012   4.033
  930   1HG2  THR 119          1HG2      THR 119  18.443   0.314   4.050
  931   2HG2  THR 119          2HG2      THR 119  19.023   1.721   4.940
  932   3HG2  THR 119          3HG2      THR 119  18.289   1.924   3.350
  933    H    TYR 120           H        TYR 120  13.928   0.492   5.334
  934    HA   TYR 120           HA       TYR 120  13.681   2.475   7.408
  935   1HB   TYR 120          1HB       TYR 120  11.627   1.921   5.326
  936   2HB   TYR 120          1HB       TYR 120  11.872   3.367   6.285
  937    HD1  TYR 120          1HD       TYR 120  14.681   3.927   6.039
  938    HD2  TYR 120          2HD       TYR 120  11.978   2.509   3.107
  939    HE1  TYR 120          1HE       TYR 120  16.088   4.909   4.280
  940    HE2  TYR 120          2HE       TYR 120  13.367   3.468   1.342
  941    HH   TYR 120           HH       TYR 120  15.076   5.369   1.151
  942    H    THR 121           H        THR 121  13.633  -0.406   7.957
  943    HA   THR 121           HA       THR 121  10.970  -0.698   9.113
  944    HB   THR 121           HB       THR 121  11.084  -2.803   8.424
  945    HG1  THR 121          1HG       THR 121  12.209  -4.217   9.580
  946   1HG2  THR 121          1HG2      THR 121  13.865  -3.210   7.772
  947   2HG2  THR 121          2HG2      THR 121  13.217  -1.749   7.030
  948   3HG2  THR 121          3HG2      THR 121  12.435  -3.298   6.749
  949    H    VAL 122           H        VAL 122  14.144  -0.278   9.768
  950    HA   VAL 122           HA       VAL 122  13.760  -0.283  12.699
  951    HB   VAL 122           HB       VAL 122  16.478  -0.843  11.566
  952   1HG1  VAL 122          1HG1      VAL 122  15.920  -0.164  14.007
  953   2HG1  VAL 122          2HG1      VAL 122  17.042  -1.493  13.715
  954   3HG1  VAL 122          3HG1      VAL 122  15.370  -1.833  14.161
  955   1HG2  VAL 122          1HG2      VAL 122  15.294  -3.252  12.547
  956   2HG2  VAL 122          2HG2      VAL 122  15.974  -2.921  10.955
  957   3HG2  VAL 122          3HG2      VAL 122  14.272  -2.591  11.272
  958    H    GLY 123           H        GLY 123  15.079   1.228   9.881
  959   1HA   GLY 123          2HA       GLY 123  15.874   3.575  11.478
  960   2HA   GLY 123          1HA       GLY 123  16.732   3.062  10.025
  961    H    CYS 124           H        CYS 124  13.334   2.936  10.500
  962    HA   CYS 124           HA       CYS 124  12.501   4.006   8.090
  963   1HB   CYS 124          1HB       CYS 124  10.299   4.142   9.201
  964   2HB   CYS 124          1HB       CYS 124  11.155   2.647   9.567
  965    H    GLU 125           H        GLU 125  14.152   5.907   8.226
  966    HA   GLU 125           HA       GLU 125  12.656   8.246   9.156
  967   1HB   GLU 125          1HB       GLU 125  15.307   9.051   9.247
  968   2HB   GLU 125          1HB       GLU 125  14.259   8.706  10.616
  969   1HG   GLU 125          1HG       GLU 125  14.995   6.256  10.258
  970   2HG   GLU 125          1HG       GLU 125  16.320   6.971   9.335
  971    H    GLU 126           H        GLU 126  12.060   7.683   6.745
  972    HA   GLU 126           HA       GLU 126  13.880   9.204   5.044
  973   1HB   GLU 126          1HB       GLU 126  12.127   6.896   4.563
  974   2HB   GLU 126          1HB       GLU 126  12.153   8.107   3.283
  975   1HG   GLU 126          1HG       GLU 126  14.657   6.972   4.457
  976   2HG   GLU 126          1HG       GLU 126  13.811   6.221   3.108
  Start of MODEL   29
    1   1H    CYS   1          1HT       CYS   1  -9.162  14.656   3.857
    2   2H    CYS   1          2HT       CYS   1  -9.154  14.613   2.142
    3   3H    CYS   1          3HT       CYS   1  -7.852  15.343   2.990
    4    HA   CYS   1           HA       CYS   1  -7.306  13.225   3.966
    5   1HB   CYS   1          1HB       CYS   1  -9.831  12.568   2.629
    6   2HB   CYS   1          1HB       CYS   1  -8.562  11.395   2.344
    7    H    THR   2           H        THR   2  -8.027  14.327   0.721
    8    HA   THR   2           HA       THR   2  -6.130  12.705  -0.632
    9    HB   THR   2           HB       THR   2  -6.398  14.333  -2.484
   10    HG1  THR   2          1HG       THR   2  -7.228  16.230  -2.147
   11   1HG2  THR   2          1HG2      THR   2  -9.114  14.297  -2.237
   12   2HG2  THR   2          2HG2      THR   2  -8.622  12.950  -1.211
   13   3HG2  THR   2          3HG2      THR   2  -8.127  12.996  -2.903
   14    H    CYS   3           H        CYS   3  -4.423  12.959   0.968
   15    HA   CYS   3           HA       CYS   3  -3.021  15.487   1.080
   16   1HB   CYS   3          1HB       CYS   3  -2.280  12.795   2.213
   17   2HB   CYS   3          1HB       CYS   3  -1.531  14.317   2.633
   18    H    VAL   4           H        VAL   4  -0.525  15.154   1.065
   19    HA   VAL   4           HA       VAL   4   0.206  14.046  -1.557
   20    HB   VAL   4           HB       VAL   4   0.737  16.349  -1.512
   21   1HG1  VAL   4          1HG1      VAL   4   1.683  17.565   0.237
   22   2HG1  VAL   4          2HG1      VAL   4   2.300  16.119   1.034
   23   3HG1  VAL   4          3HG1      VAL   4   0.572  16.463   1.045
   24   1HG2  VAL   4          1HG2      VAL   4   2.558  15.376  -2.535
   25   2HG2  VAL   4          2HG2      VAL   4   3.141  14.640  -1.040
   26   3HG2  VAL   4          3HG2      VAL   4   3.311  16.375  -1.295
   27    HA   PRO   5           HA       PRO   5   2.377  10.617   0.111
   28   1HB   PRO   5          1HB       PRO   5   4.764  11.847  -1.241
   29   2HB   PRO   5          1HB       PRO   5   4.261  10.150  -1.184
   30   1HG   PRO   5          1HG       PRO   5   3.709  11.591  -3.331
   31   2HG   PRO   5          1HG       PRO   5   2.483  10.493  -2.667
   32   1HD   PRO   5          1HD       PRO   5   2.636  13.453  -2.543
   33   2HD   PRO   5          1HD       PRO   5   1.204  12.419  -2.586
   34    HA   PRO   6           HA       PRO   6   4.184  12.775   3.692
   35   1HB   PRO   6          1HB       PRO   6   3.243  11.140   5.554
   36   2HB   PRO   6          1HB       PRO   6   2.164  12.270   4.723
   37   1HG   PRO   6          1HG       PRO   6   2.562   9.341   4.257
   38   2HG   PRO   6          1HG       PRO   6   1.055  10.272   4.299
   39   1HD   PRO   6          1HD       PRO   6   2.372   9.537   1.990
   40   2HD   PRO   6          1HD       PRO   6   1.251  10.907   2.117
   41    H    HIS   7           H        HIS   7   6.074  12.518   4.640
   42    HA   HIS   7           HA       HIS   7   8.073  11.052   3.939
   43   1HB   HIS   7          1HB       HIS   7   7.219  12.109   6.547
   44   2HB   HIS   7          1HB       HIS   7   8.529  10.945   6.590
   45    HD1  HIS   7          1HD       HIS   7   8.408  14.260   6.938
   46    HD2  HIS   7          2HD       HIS   7  10.231  11.962   3.994
   47    HE1  HIS   7          1HE       HIS   7  10.216  15.717   5.972
   48    HE2  HIS   7          2HE       HIS   7  11.260  14.331   4.145
   49    HA   PRO   8           HA       PRO   8   7.202   6.713   4.539
   50   1HB   PRO   8          1HB       PRO   8   9.568   5.809   3.746
   51   2HB   PRO   8          1HB       PRO   8   8.473   6.571   2.576
   52   1HG   PRO   8          1HG       PRO   8  10.661   7.852   4.171
   53   2HG   PRO   8          1HG       PRO   8  10.497   7.832   2.401
   54   1HD   PRO   8          1HD       PRO   8   9.637   9.926   3.794
   55   2HD   PRO   8          1HD       PRO   8   8.632   9.271   2.478
   56    H    GLN   9           H        GLN   9   9.274   8.758   6.169
   57    HA   GLN   9           HA       GLN   9  10.557   6.819   7.854
   58   1HB   GLN   9          1HB       GLN   9  11.117   8.788   9.293
   59   2HB   GLN   9          1HB       GLN   9  11.620   9.009   7.631
   60   1HG   GLN   9          1HG       GLN   9   9.832  10.485   7.200
   61   2HG   GLN   9          1HG       GLN   9   9.079  10.126   8.751
   62   1HE2  GLN   9          1HE2      GLN   9  10.650  12.437   7.187
   63   2HE2  GLN   9          2HE2      GLN   9  11.491  13.203   8.482
   64    H    THR  10           H        THR  10   7.660   8.795   7.838
   65    HA   THR  10           HA       THR  10   6.822   7.845  10.428
   66    HB   THR  10           HB       THR  10   6.234  10.052   8.558
   67    HG1  THR  10          1HG       THR  10   6.599  11.139  10.272
   68   1HG2  THR  10          1HG2      THR  10   3.978  10.105  10.206
   69   2HG2  THR  10          2HG2      THR  10   3.986   8.527   9.422
   70   3HG2  THR  10          3HG2      THR  10   4.049   9.999   8.443
   71    H    ALA  11           H        ALA  11   5.935   7.851   6.976
   72    HA   ALA  11           HA       ALA  11   3.602   6.336   7.114
   73   1HB   ALA  11          1HB       ALA  11   4.558   7.567   5.132
   74   2HB   ALA  11          2HB       ALA  11   3.787   6.008   4.827
   75   3HB   ALA  11          3HB       ALA  11   5.544   6.130   4.860
   76    H    PHE  12           H        PHE  12   6.993   5.220   6.764
   77    HA   PHE  12           HA       PHE  12   6.243   2.507   6.476
   78   1HB   PHE  12          1HB       PHE  12   8.598   3.682   6.107
   79   2HB   PHE  12          1HB       PHE  12   8.852   3.173   7.774
   80    HD1  PHE  12          1HD       PHE  12   7.730   1.830   4.485
   81    HD2  PHE  12          2HD       PHE  12   9.609   1.048   8.210
   82    HE1  PHE  12          1HE       PHE  12   8.291  -0.440   3.722
   83    HE2  PHE  12          2HE       PHE  12  10.194  -1.217   7.453
   84    HZ   PHE  12           HZ       PHE  12   9.532  -1.963   5.205
   85    H    CYS  13           H        CYS  13   7.774   4.072   9.313
   86    HA   CYS  13           HA       CYS  13   7.313   1.947  10.997
   87   1HB   CYS  13          1HB       CYS  13   8.452   4.582  11.093
   88   2HB   CYS  13          1HB       CYS  13   7.559   4.241  12.570
   89    H    ASN  14           H        ASN  14   4.898   4.432  10.119
   90    HA   ASN  14           HA       ASN  14   3.599   3.996  12.643
   91   1HB   ASN  14          1HB       ASN  14   3.708   6.240  11.380
   92   2HB   ASN  14          1HB       ASN  14   2.599   5.510  10.224
   93   1HD2  ASN  14          1HD2      ASN  14   2.961   5.954  13.724
   94   2HD2  ASN  14          2HD2      ASN  14   1.297   6.311  14.021
   95    H    SER  15           H        SER  15   3.304   3.302   9.155
   96    HA   SER  15           HA       SER  15   0.887   1.932   9.333
   97   1HB   SER  15          1HB       SER  15   2.562   2.718   7.269
   98   2HB   SER  15          1HB       SER  15   2.506   0.974   7.179
   99    HG   SER  15           HG       SER  15   0.803   2.308   6.065
  100    H    ASP  16           H        ASP  16   0.480   0.054   9.470
  101    HA   ASP  16           HA       ASP  16   2.270  -1.855  10.655
  102   1HB   ASP  16          1HB       ASP  16  -0.653  -1.641  10.337
  103   2HB   ASP  16          1HB       ASP  16   0.101  -3.019  11.138
  104    H    LEU  17           H        LEU  17   1.868  -1.279   7.675
  105    HA   LEU  17           HA       LEU  17   2.664  -3.798   6.898
  106   1HB   LEU  17          1HB       LEU  17  -0.215  -3.480   6.658
  107   2HB   LEU  17          1HB       LEU  17   0.561  -4.019   5.174
  108    HG   LEU  17           HG       LEU  17   1.743  -5.508   7.238
  109   1HD1  LEU  17          1HD1      LEU  17   0.164  -5.275   8.855
  110   2HD1  LEU  17          2HD1      LEU  17  -0.511  -6.632   7.969
  111   3HD1  LEU  17          3HD1      LEU  17  -1.134  -5.005   7.702
  112   1HD2  LEU  17          1HD2      LEU  17  -0.455  -6.529   5.486
  113   2HD2  LEU  17          2HD2      LEU  17   1.005  -7.335   6.036
  114   3HD2  LEU  17          3HD2      LEU  17   1.108  -6.066   4.821
  115    H    VAL  18           H        VAL  18   4.016  -3.621   5.286
  116    HA   VAL  18           HA       VAL  18   3.501  -1.641   3.211
  117    HB   VAL  18           HB       VAL  18   6.220  -1.815   4.493
  118   1HG1  VAL  18          1HG1      VAL  18   4.942  -0.180   2.365
  119   2HG1  VAL  18          2HG1      VAL  18   6.568  -0.858   2.451
  120   3HG1  VAL  18          3HG1      VAL  18   6.165   0.586   3.379
  121   1HG2  VAL  18          1HG2      VAL  18   5.747   0.200   5.725
  122   2HG2  VAL  18          2HG2      VAL  18   4.534  -1.011   6.139
  123   3HG2  VAL  18          3HG2      VAL  18   4.131   0.298   5.027
  124    H    ILE  19           H        ILE  19   3.982  -2.390   1.249
  125    HA   ILE  19           HA       ILE  19   5.863  -4.573   0.871
  126    HB   ILE  19           HB       ILE  19   4.245  -5.955  -0.269
  127   1HG1  ILE  19          1HG1      ILE  19   2.830  -3.969  -1.014
  128   2HG1  ILE  19          1HG1      ILE  19   1.953  -5.415  -0.544
  129   1HG2  ILE  19          1HG2      ILE  19   3.439  -6.939   1.585
  130   2HG2  ILE  19          2HG2      ILE  19   2.729  -5.451   2.208
  131   3HG2  ILE  19          3HG2      ILE  19   4.451  -5.750   2.392
  132   1HD1  ILE  19          1HD1      ILE  19   1.601  -4.368   1.699
  133   2HD1  ILE  19          2HD1      ILE  19   0.814  -3.539   0.356
  134   3HD1  ILE  19          3HD1      ILE  19   2.298  -2.891   1.042
  135    H    ARG  20           H        ARG  20   5.133  -5.211  -1.732
  136    HA   ARG  20           HA       ARG  20   4.988  -2.721  -3.156
  137   1HB   ARG  20          1HB       ARG  20   6.865  -2.959  -4.471
  138   2HB   ARG  20          1HB       ARG  20   7.471  -3.624  -2.971
  139   1HG   ARG  20          1HG       ARG  20   7.402  -5.793  -3.769
  140   2HG   ARG  20          1HG       ARG  20   6.258  -5.387  -5.034
  141   1HD   ARG  20          1HD       ARG  20   7.852  -4.645  -6.450
  142   2HD   ARG  20          1HD       ARG  20   8.855  -4.004  -5.150
  143    HE   ARG  20           HE       ARG  20   8.737  -6.899  -5.395
  144   1HH1  ARG  20          1HH1      ARG  20  10.495  -3.958  -6.065
  145   2HH1  ARG  20          2HH1      ARG  20  11.988  -4.778  -6.372
  146   1HH2  ARG  20          1HH2      ARG  20  10.696  -7.973  -5.805
  147   2HH2  ARG  20          2HH2      ARG  20  12.103  -7.056  -6.227
  148    H    ALA  21           H        ALA  21   3.665  -2.924  -4.764
  149    HA   ALA  21           HA       ALA  21   2.905  -5.557  -5.827
  150   1HB   ALA  21          1HB       ALA  21   1.457  -5.574  -4.012
  151   2HB   ALA  21          2HB       ALA  21   0.450  -5.124  -5.388
  152   3HB   ALA  21          3HB       ALA  21   0.991  -3.891  -4.250
  153    H    LYS  22           H        LYS  22   1.111  -5.521  -7.312
  154    HA   LYS  22           HA       LYS  22   1.187  -3.234  -9.185
  155   1HB   LYS  22          1HB       LYS  22   1.318  -6.165  -9.537
  156   2HB   LYS  22          1HB       LYS  22   0.304  -5.322 -10.687
  157   1HG   LYS  22          1HG       LYS  22   2.162  -4.080 -11.481
  158   2HG   LYS  22          1HG       LYS  22   3.180  -4.632 -10.149
  159   1HD   LYS  22          1HD       LYS  22   2.100  -6.903 -11.493
  160   2HD   LYS  22          1HD       LYS  22   2.797  -5.817 -12.682
  161   1HE   LYS  22          1HE       LYS  22   4.868  -5.747 -11.310
  162   2HE   LYS  22          1HE       LYS  22   4.166  -7.008 -10.295
  163   1HZ   LYS  22          1HZ       LYS  22   5.208  -8.353 -11.743
  164   2HZ   LYS  22          2HZ       LYS  22   5.285  -7.186 -12.965
  165   3HZ   LYS  22          3HZ       LYS  22   3.861  -8.066 -12.726
  166    H    PHE  23           H        PHE  23  -0.865  -2.569 -10.066
  167    HA   PHE  23           HA       PHE  23  -3.177  -3.555  -8.538
  168   1HB   PHE  23          1HB       PHE  23  -3.101  -1.213 -10.457
  169   2HB   PHE  23          1HB       PHE  23  -4.363  -1.594  -9.292
  170    HD1  PHE  23          1HD       PHE  23  -1.241   0.071  -9.860
  171    HD2  PHE  23          2HD       PHE  23  -3.865  -1.392  -6.851
  172    HE1  PHE  23          1HE       PHE  23  -0.132   1.504  -8.199
  173    HE2  PHE  23          2HE       PHE  23  -2.754   0.032  -5.182
  174    HZ   PHE  23           HZ       PHE  23  -0.879   1.484  -5.862
  175    H    VAL  24           H        VAL  24  -4.357  -4.958  -9.207
  176    HA   VAL  24           HA       VAL  24  -4.595  -5.532 -12.060
  177    HB   VAL  24           HB       VAL  24  -5.633  -7.698 -10.843
  178   1HG1  VAL  24          1HG1      VAL  24  -3.818  -7.541 -12.558
  179   2HG1  VAL  24          2HG1      VAL  24  -3.644  -8.852 -11.390
  180   3HG1  VAL  24          3HG1      VAL  24  -2.689  -7.381 -11.213
  181   1HG2  VAL  24          1HG2      VAL  24  -3.748  -8.168  -9.058
  182   2HG2  VAL  24          2HG2      VAL  24  -5.326  -7.503  -8.636
  183   3HG2  VAL  24          3HG2      VAL  24  -3.945  -6.438  -8.827
  184    H    GLY  25           H        GLY  25  -6.889  -6.687  -9.632
  185   1HA   GLY  25          2HA       GLY  25  -9.116  -6.112 -11.093
  186   2HA   GLY  25          1HA       GLY  25  -9.122  -6.294  -9.363
  187    H    THR  26           H        THR  26 -11.057  -4.866 -10.164
  188    HA   THR  26           HA       THR  26 -10.346  -2.021 -10.192
  189    HB   THR  26           HB       THR  26 -13.090  -2.251 -10.573
  190    HG1  THR  26          1HG       THR  26 -13.439  -3.961 -11.801
  191   1HG2  THR  26          1HG2      THR  26 -10.828  -1.367 -12.031
  192   2HG2  THR  26          2HG2      THR  26 -12.525  -0.947 -12.261
  193   3HG2  THR  26          3HG2      THR  26 -11.838  -2.334 -13.105
  194    HA   PRO  27           HA       PRO  27 -12.076  -1.011  -6.268
  195   1HB   PRO  27          1HB       PRO  27 -13.447   1.256  -6.710
  196   2HB   PRO  27          1HB       PRO  27 -11.694   1.168  -6.876
  197   1HG   PRO  27          1HG       PRO  27 -13.805   1.089  -8.995
  198   2HG   PRO  27          1HG       PRO  27 -12.259   1.955  -8.990
  199   1HD   PRO  27          1HD       PRO  27 -12.655  -0.426 -10.276
  200   2HD   PRO  27          1HD       PRO  27 -11.087   0.107  -9.665
  201    H    GLU  28           H        GLU  28 -13.521  -2.290  -5.288
  202    HA   GLU  28           HA       GLU  28 -16.298  -2.244  -6.232
  203   1HB   GLU  28          1HB       GLU  28 -14.605  -4.274  -5.113
  204   2HB   GLU  28          1HB       GLU  28 -16.079  -4.123  -4.164
  205   1HG   GLU  28          1HG       GLU  28 -17.016  -4.041  -6.728
  206   2HG   GLU  28          1HG       GLU  28 -15.677  -5.178  -6.847
  207    H    VAL  29           H        VAL  29 -17.583  -0.851  -5.343
  208    HA   VAL  29           HA       VAL  29 -17.045   0.018  -2.599
  209    HB   VAL  29           HB       VAL  29 -19.018   1.389  -4.359
  210   1HG1  VAL  29          1HG1      VAL  29 -17.521   3.199  -2.862
  211   2HG1  VAL  29          2HG1      VAL  29 -17.820   1.838  -1.781
  212   3HG1  VAL  29          3HG1      VAL  29 -19.173   2.664  -2.553
  213   1HG2  VAL  29          1HG2      VAL  29 -16.342   1.012  -5.085
  214   2HG2  VAL  29          2HG2      VAL  29 -16.424   2.638  -4.415
  215   3HG2  VAL  29          3HG2      VAL  29 -17.474   2.186  -5.754
  216    H    ASN  30           H        ASN  30 -18.166  -1.360  -1.101
  217    HA   ASN  30           HA       ASN  30 -20.901  -2.073  -1.592
  218   1HB   ASN  30          1HB       ASN  30 -19.133  -3.028   0.205
  219   2HB   ASN  30          1HB       ASN  30 -19.981  -1.869   1.223
  220   1HD2  ASN  30          1HD2      ASN  30 -21.429  -2.837   2.409
  221   2HD2  ASN  30          2HD2      ASN  30 -22.516  -4.072   1.887
  222    H    GLN  31           H        GLN  31 -22.692  -1.241  -0.573
  223    HA   GLN  31           HA       GLN  31 -22.724   1.645  -0.260
  224   1HB   GLN  31          1HB       GLN  31 -25.018  -0.260   0.164
  225   2HB   GLN  31          1HB       GLN  31 -25.113   1.442  -0.279
  226   1HG   GLN  31          1HG       GLN  31 -23.826  -0.553  -2.094
  227   2HG   GLN  31          1HG       GLN  31 -25.578  -0.372  -2.053
  228   1HE2  GLN  31          1HE2      GLN  31 -22.586   1.464  -2.455
  229   2HE2  GLN  31          2HE2      GLN  31 -23.237   2.630  -3.552
  230    H    THR  32           H        THR  32 -22.412  -1.111   1.664
  231    HA   THR  32           HA       THR  32 -22.834   0.429   4.084
  232    HB   THR  32           HB       THR  32 -24.030  -2.211   3.250
  233    HG1  THR  32          1HG       THR  32 -25.872  -1.195   4.254
  234   1HG2  THR  32          1HG2      THR  32 -24.526  -2.923   5.387
  235   2HG2  THR  32          2HG2      THR  32 -24.168  -1.357   6.110
  236   3HG2  THR  32          3HG2      THR  32 -22.857  -2.392   5.557
  237    H    THR  33           H        THR  33 -20.668   0.626   3.750
  238    HA   THR  33           HA       THR  33 -19.127  -1.487   4.983
  239    HB   THR  33           HB       THR  33 -18.273  -2.002   2.929
  240    HG1  THR  33          1HG       THR  33 -16.331  -0.982   2.654
  241   1HG2  THR  33          1HG2      THR  33 -18.057   0.666   1.735
  242   2HG2  THR  33          2HG2      THR  33 -19.676  -0.018   1.835
  243   3HG2  THR  33          3HG2      THR  33 -18.405  -0.877   0.966
  244    H    LEU  34           H        LEU  34 -18.785   1.511   3.233
  245    HA   LEU  34           HA       LEU  34 -18.248   3.628   4.114
  246   1HB   LEU  34          1HB       LEU  34 -17.703   1.997   6.488
  247   2HB   LEU  34          1HB       LEU  34 -16.601   3.293   6.203
  248    HG   LEU  34           HG       LEU  34 -19.586   3.596   6.386
  249   1HD1  LEU  34          1HD1      LEU  34 -19.410   3.830   8.609
  250   2HD1  LEU  34          2HD1      LEU  34 -17.899   4.735   8.484
  251   3HD1  LEU  34          3HD1      LEU  34 -17.881   2.972   8.425
  252   1HD2  LEU  34          1HD2      LEU  34 -19.288   5.815   5.985
  253   2HD2  LEU  34          2HD2      LEU  34 -17.852   5.239   5.127
  254   3HD2  LEU  34          3HD2      LEU  34 -17.717   5.850   6.780
  255    H    TYR  35           H        TYR  35 -16.790   0.877   3.253
  256    HA   TYR  35           HA       TYR  35 -14.439   2.282   2.294
  257   1HB   TYR  35          1HB       TYR  35 -13.133   0.066   2.849
  258   2HB   TYR  35          1HB       TYR  35 -13.259   1.399   3.977
  259    HD1  TYR  35          1HD       TYR  35 -14.867   1.329   5.791
  260    HD2  TYR  35          2HD       TYR  35 -14.025  -2.058   3.384
  261    HE1  TYR  35          1HE       TYR  35 -15.796  -0.095   7.523
  262    HE2  TYR  35          2HE       TYR  35 -14.976  -3.532   5.122
  263    HH   TYR  35           HH       TYR  35 -15.732  -3.635   7.250
  264    H    GLN  36           H        GLN  36 -13.168   1.078   0.756
  265    HA   GLN  36           HA       GLN  36 -14.854  -0.621  -0.952
  266   1HB   GLN  36          1HB       GLN  36 -13.075   1.703  -1.677
  267   2HB   GLN  36          1HB       GLN  36 -13.801   0.617  -2.864
  268   1HG   GLN  36          1HG       GLN  36 -15.919   1.424  -2.474
  269   2HG   GLN  36          1HG       GLN  36 -15.500   2.018  -0.869
  270   1HE2  GLN  36          1HE2      GLN  36 -14.286   2.524  -4.172
  271   2HE2  GLN  36          2HE2      GLN  36 -14.311   4.250  -4.095
  272    H    ARG  37           H        ARG  37 -13.432  -1.897  -2.599
  273    HA   ARG  37           HA       ARG  37 -10.763  -2.338  -1.485
  274   1HB   ARG  37          1HB       ARG  37 -11.043  -4.734  -1.388
  275   2HB   ARG  37          1HB       ARG  37 -12.229  -3.922  -0.378
  276   1HG   ARG  37          1HG       ARG  37 -13.766  -5.171  -1.370
  277   2HG   ARG  37          1HG       ARG  37 -13.505  -4.197  -2.818
  278   1HD   ARG  37          1HD       ARG  37 -11.463  -6.201  -2.609
  279   2HD   ARG  37          1HD       ARG  37 -13.049  -6.953  -2.480
  280    HE   ARG  37           HE       ARG  37 -11.983  -5.497  -4.776
  281   1HH1  ARG  37          1HH1      ARG  37 -14.652  -7.228  -3.329
  282   2HH1  ARG  37          2HH1      ARG  37 -15.448  -7.503  -4.840
  283   1HH2  ARG  37          1HH2      ARG  37 -13.038  -5.851  -6.754
  284   2HH2  ARG  37          2HH2      ARG  37 -14.531  -6.729  -6.784
  285    H    TYR  38           H        TYR  38  -9.451  -2.003  -2.975
  286    HA   TYR  38           HA       TYR  38  -9.859  -2.664  -5.786
  287   1HB   TYR  38          1HB       TYR  38  -7.730  -1.225  -4.240
  288   2HB   TYR  38          1HB       TYR  38  -7.297  -1.911  -5.788
  289    HD1  TYR  38          1HD       TYR  38  -9.120  -1.234  -7.712
  290    HD2  TYR  38          2HD       TYR  38  -8.218   1.009  -4.209
  291    HE1  TYR  38          1HE       TYR  38  -9.864   0.827  -8.828
  292    HE2  TYR  38          2HE       TYR  38  -8.976   3.059  -5.310
  293    HH   TYR  38           HH       TYR  38  -9.496   3.274  -8.633
  294    H    GLU  39           H        GLU  39  -8.551  -4.237  -6.915
  295    HA   GLU  39           HA       GLU  39  -7.394  -6.272  -5.156
  296   1HB   GLU  39          1HB       GLU  39  -8.001  -6.514  -8.099
  297   2HB   GLU  39          1HB       GLU  39  -7.691  -7.818  -6.972
  298   1HG   GLU  39          1HG       GLU  39  -9.803  -7.780  -6.138
  299   2HG   GLU  39          1HG       GLU  39  -9.998  -6.056  -6.390
  300    H    ILE  40           H        ILE  40  -5.205  -6.802  -5.295
  301    HA   ILE  40           HA       ILE  40  -3.732  -5.361  -7.392
  302    HB   ILE  40           HB       ILE  40  -1.952  -5.067  -5.501
  303   1HG1  ILE  40          1HG1      ILE  40  -4.320  -4.726  -3.735
  304   2HG1  ILE  40          1HG1      ILE  40  -3.676  -6.350  -3.958
  305   1HG2  ILE  40          1HG2      ILE  40  -3.042  -3.247  -6.738
  306   2HG2  ILE  40          2HG2      ILE  40  -2.814  -2.840  -5.040
  307   3HG2  ILE  40          3HG2      ILE  40  -4.407  -3.319  -5.627
  308   1HD1  ILE  40          1HD1      ILE  40  -1.755  -4.195  -3.298
  309   2HD1  ILE  40          2HD1      ILE  40  -1.766  -5.895  -2.824
  310   3HD1  ILE  40          3HD1      ILE  40  -2.845  -4.749  -2.026
  311    H    LYS  41           H        LYS  41  -2.211  -6.387  -8.350
  312    HA   LYS  41           HA       LYS  41  -1.606  -9.072  -7.782
  313   1HB   LYS  41          1HB       LYS  41  -1.068  -7.202  -9.894
  314   2HB   LYS  41          1HB       LYS  41   0.416  -8.050  -9.480
  315   1HG   LYS  41          1HG       LYS  41  -2.184  -9.426 -10.114
  316   2HG   LYS  41          1HG       LYS  41  -0.915  -9.108 -11.297
  317   1HD   LYS  41          1HD       LYS  41   0.293 -10.851 -10.600
  318   2HD   LYS  41          1HD       LYS  41   0.129 -10.379  -8.908
  319   1HE   LYS  41          1HE       LYS  41  -1.348 -12.002  -8.564
  320   2HE   LYS  41          1HE       LYS  41  -2.377 -11.378  -9.852
  321   1HZ   LYS  41          1HZ       LYS  41  -0.564 -12.594 -11.313
  322   2HZ   LYS  41          2HZ       LYS  41  -1.915 -13.410 -10.703
  323   3HZ   LYS  41          3HZ       LYS  41  -0.422 -13.542  -9.919
  324    H    MET  42           H        MET  42  -0.842  -8.940  -5.589
  325    HA   MET  42           HA       MET  42   1.176  -7.308  -4.638
  326   1HB   MET  42          1HB       MET  42  -0.314  -8.737  -3.243
  327   2HB   MET  42          1HB       MET  42   0.645 -10.134  -3.722
  328   1HG   MET  42          1HG       MET  42   2.553  -8.395  -2.825
  329   2HG   MET  42          1HG       MET  42   1.202  -8.060  -1.753
  330   1HE   MET  42          1HE       MET  42   4.330 -10.866  -1.635
  331   2HE   MET  42          2HE       MET  42   3.718 -10.157  -3.130
  332   3HE   MET  42          3HE       MET  42   3.316 -11.823  -2.716
  333    H    THR  43           H        THR  43   3.316  -7.230  -4.809
  334    HA   THR  43           HA       THR  43   4.558  -9.249  -6.474
  335    HB   THR  43           HB       THR  43   5.863  -6.740  -5.478
  336    HG1  THR  43          1HG       THR  43   3.787  -6.519  -6.749
  337   1HG2  THR  43          1HG2      THR  43   6.722  -8.850  -7.175
  338   2HG2  THR  43          2HG2      THR  43   7.594  -7.408  -6.665
  339   3HG2  THR  43          3HG2      THR  43   6.592  -7.363  -8.112
  340    H    LYS  44           H        LYS  44   5.578  -7.490  -3.497
  341    HA   LYS  44           HA       LYS  44   6.289  -9.950  -2.175
  342   1HB   LYS  44          1HB       LYS  44   8.638  -9.418  -1.798
  343   2HB   LYS  44          1HB       LYS  44   8.321  -9.552  -3.523
  344   1HG   LYS  44          1HG       LYS  44   8.220  -7.117  -3.674
  345   2HG   LYS  44          1HG       LYS  44   8.578  -7.005  -1.955
  346   1HD   LYS  44          1HD       LYS  44  10.411  -8.491  -3.792
  347   2HD   LYS  44          1HD       LYS  44  10.495  -6.734  -3.675
  348   1HE   LYS  44          1HE       LYS  44  10.524  -7.261  -1.090
  349   2HE   LYS  44          1HE       LYS  44  11.162  -8.805  -1.655
  350   1HZ   LYS  44          1HZ       LYS  44  13.109  -7.726  -1.584
  351   2HZ   LYS  44          2HZ       LYS  44  12.401  -6.191  -1.638
  352   3HZ   LYS  44          3HZ       LYS  44  12.630  -7.067  -3.066
  353    H    MET  45           H        MET  45   6.900  -9.561   0.140
  354    HA   MET  45           HA       MET  45   5.410  -7.334   1.240
  355   1HB   MET  45          1HB       MET  45   6.207  -9.997   1.969
  356   2HB   MET  45          1HB       MET  45   6.670  -8.884   3.242
  357   1HG   MET  45          1HG       MET  45   4.319  -8.081   3.291
  358   2HG   MET  45          1HG       MET  45   3.919  -9.378   2.159
  359   1HE   MET  45          1HE       MET  45   5.410 -11.623   2.641
  360   2HE   MET  45          2HE       MET  45   3.782 -12.144   3.070
  361   3HE   MET  45          3HE       MET  45   5.134 -12.504   4.142
  362    H    TYR  46           H        TYR  46   6.280  -5.615   2.413
  363    HA   TYR  46           HA       TYR  46   9.197  -5.541   2.846
  364   1HB   TYR  46          1HB       TYR  46   7.282  -3.406   1.932
  365   2HB   TYR  46          1HB       TYR  46   8.837  -3.006   2.629
  366    HD1  TYR  46          1HD       TYR  46   7.289  -4.973  -0.100
  367    HD2  TYR  46          2HD       TYR  46  10.735  -2.892   1.267
  368    HE1  TYR  46          1HE       TYR  46   8.314  -5.230  -2.305
  369    HE2  TYR  46          2HE       TYR  46  11.774  -3.157  -0.943
  370    HH   TYR  46           HH       TYR  46  11.279  -3.638  -3.171
  371    H    LYS  47           H        LYS  47   6.447  -5.970   4.458
  372    HA   LYS  47           HA       LYS  47   7.327  -5.497   7.008
  373   1HB   LYS  47          1HB       LYS  47   6.791  -3.024   5.885
  374   2HB   LYS  47          1HB       LYS  47   5.293  -3.396   6.727
  375   1HG   LYS  47          1HG       LYS  47   6.565  -3.761   8.796
  376   2HG   LYS  47          1HG       LYS  47   8.047  -3.323   7.945
  377   1HD   LYS  47          1HD       LYS  47   7.571  -1.118   7.994
  378   2HD   LYS  47          1HD       LYS  47   5.848  -1.380   7.715
  379   1HE   LYS  47          1HE       LYS  47   5.789  -0.603   9.864
  380   2HE   LYS  47          1HE       LYS  47   5.939  -2.333  10.167
  381   1HZ   LYS  47          1HZ       LYS  47   8.237  -0.454  10.084
  382   2HZ   LYS  47          2HZ       LYS  47   8.269  -2.081  10.549
  383   3HZ   LYS  47          3HZ       LYS  47   7.463  -0.944  11.507
  384    H    GLY  48           H        GLY  48   6.168  -7.128   7.850
  385   1HA   GLY  48          2HA       GLY  48   3.527  -7.230   8.468
  386   2HA   GLY  48          1HA       GLY  48   3.566  -7.849   6.822
  387    H    PHE  49           H        PHE  49   6.473  -8.758   8.075
  388    HA   PHE  49           HA       PHE  49   5.693 -11.476   8.457
  389   1HB   PHE  49          1HB       PHE  49   8.344 -10.272   9.246
  390   2HB   PHE  49          1HB       PHE  49   8.014 -11.915   8.706
  391    HD1  PHE  49          1HD       PHE  49   8.945  -8.593   7.726
  392    HD2  PHE  49          2HD       PHE  49   7.367 -12.275   6.290
  393    HE1  PHE  49          1HE       PHE  49   9.534  -7.946   5.426
  394    HE2  PHE  49          2HE       PHE  49   7.956 -11.636   3.990
  395    HZ   PHE  49           HZ       PHE  49   9.041  -9.469   3.556
  396    H    GLN  50           H        GLN  50   5.138  -8.921  10.237
  397    HA   GLN  50           HA       GLN  50   5.729 -10.116  12.844
  398   1HB   GLN  50          1HB       GLN  50   4.710  -7.966  13.747
  399   2HB   GLN  50          1HB       GLN  50   6.240  -7.787  12.903
  400   1HG   GLN  50          1HG       GLN  50   4.387  -7.415  10.907
  401   2HG   GLN  50          1HG       GLN  50   3.629  -6.662  12.306
  402   1HE2  GLN  50          1HE2      GLN  50   5.963  -6.383   9.874
  403   2HE2  GLN  50          2HE2      GLN  50   6.675  -4.896  10.391
  404    H    ALA  51           H        ALA  51   3.079  -8.680  10.969
  405    HA   ALA  51           HA       ALA  51   0.951  -9.704  12.484
  406   1HB   ALA  51          1HB       ALA  51   1.197  -8.102  10.250
  407   2HB   ALA  51          2HB       ALA  51  -0.319  -8.642  10.973
  408   3HB   ALA  51          3HB       ALA  51   0.390  -9.544   9.633
  409    H    LEU  52           H        LEU  52   2.518 -10.890   9.535
  410    HA   LEU  52           HA       LEU  52   2.171 -13.643  10.294
  411   1HB   LEU  52          1HB       LEU  52   1.186 -13.927   7.801
  412   2HB   LEU  52          1HB       LEU  52   0.194 -13.854   9.240
  413    HG   LEU  52           HG       LEU  52  -0.314 -11.531   8.859
  414   1HD1  LEU  52          1HD1      LEU  52   0.672 -10.154   7.323
  415   2HD1  LEU  52          2HD1      LEU  52   1.134 -11.484   6.262
  416   3HD1  LEU  52          3HD1      LEU  52   2.040 -11.184   7.742
  417   1HD2  LEU  52          1HD2      LEU  52  -1.465 -11.709   6.664
  418   2HD2  LEU  52          2HD2      LEU  52  -1.741 -13.090   7.726
  419   3HD2  LEU  52          3HD2      LEU  52  -0.604 -13.222   6.383
  420    H    GLY  53           H        GLY  53   2.420 -12.968   6.905
  421   1HA   GLY  53          2HA       GLY  53   4.380 -12.408   5.718
  422   2HA   GLY  53          1HA       GLY  53   5.332 -12.870   7.107
  423    H    ASP  54           H        ASP  54   2.803 -14.618   5.371
  424    HA   ASP  54           HA       ASP  54   4.488 -16.953   5.198
  425   1HB   ASP  54          1HB       ASP  54   2.426 -17.925   4.021
  426   2HB   ASP  54          1HB       ASP  54   2.282 -17.522   5.727
  427    H    ALA  55           H        ALA  55   2.405 -15.698   2.701
  428    HA   ALA  55           HA       ALA  55   4.633 -15.351   0.872
  429   1HB   ALA  55          1HB       ALA  55   3.318 -17.748   0.853
  430   2HB   ALA  55          2HB       ALA  55   4.142 -17.041  -0.536
  431   3HB   ALA  55          3HB       ALA  55   2.404 -16.822  -0.337
  432    H    ALA  56           H        ALA  56   1.183 -15.318   1.473
  433    HA   ALA  56           HA       ALA  56   0.976 -12.858  -0.155
  434   1HB   ALA  56          1HB       ALA  56  -1.052 -15.034   0.205
  435   2HB   ALA  56          2HB       ALA  56  -0.320 -14.451  -1.292
  436   3HB   ALA  56          3HB       ALA  56  -1.448 -13.425  -0.401
  437    H    ASP  57           H        ASP  57   1.443 -11.582   1.575
  438    HA   ASP  57           HA       ASP  57  -0.409 -11.602   3.825
  439   1HB   ASP  57          1HB       ASP  57   1.870 -11.349   4.458
  440   2HB   ASP  57          1HB       ASP  57   2.159 -10.160   3.194
  441    H    ILE  58           H        ILE  58   0.213 -10.041   0.826
  442    HA   ILE  58           HA       ILE  58  -1.856  -8.008   1.384
  443    HB   ILE  58           HB       ILE  58   0.166  -7.627  -0.782
  444   1HG1  ILE  58          1HG1      ILE  58   1.770  -7.850   0.864
  445   2HG1  ILE  58          1HG1      ILE  58   1.373  -6.151   1.006
  446   1HG2  ILE  58          1HG2      ILE  58  -1.998  -6.221  -0.098
  447   2HG2  ILE  58          2HG2      ILE  58  -0.570  -5.499  -0.841
  448   3HG2  ILE  58          3HG2      ILE  58  -0.791  -5.417   0.906
  449   1HD1  ILE  58          1HD1      ILE  58   1.527  -6.975   3.182
  450   2HD1  ILE  58          2HD1      ILE  58   0.560  -8.388   2.791
  451   3HD1  ILE  58          3HD1      ILE  58  -0.197  -6.798   2.860
  452    H    ARG  59           H        ARG  59  -3.503  -7.897  -0.102
  453    HA   ARG  59           HA       ARG  59  -3.145  -9.219  -2.646
  454   1HB   ARG  59          1HB       ARG  59  -5.109 -10.318  -0.655
  455   2HB   ARG  59          1HB       ARG  59  -5.219 -10.647  -2.378
  456   1HG   ARG  59          1HG       ARG  59  -2.584 -11.147  -1.181
  457   2HG   ARG  59          1HG       ARG  59  -3.878 -12.180  -0.604
  458   1HD   ARG  59          1HD       ARG  59  -3.711 -13.404  -2.448
  459   2HD   ARG  59          1HD       ARG  59  -4.107 -11.994  -3.426
  460    HE   ARG  59           HE       ARG  59  -1.593 -11.524  -3.228
  461   1HH1  ARG  59          1HH1      ARG  59  -2.973 -14.738  -3.374
  462   2HH1  ARG  59          2HH1      ARG  59  -1.561 -15.440  -4.087
  463   1HH2  ARG  59          1HH2      ARG  59   0.255 -12.462  -4.173
  464   2HH2  ARG  59          2HH2      ARG  59   0.264 -14.155  -4.541
  465    H    PHE  60           H        PHE  60  -5.262  -7.359  -0.611
  466    HA   PHE  60           HA       PHE  60  -6.229  -5.832  -2.848
  467   1HB   PHE  60          1HB       PHE  60  -8.126  -7.052  -0.834
  468   2HB   PHE  60          1HB       PHE  60  -8.554  -6.073  -2.225
  469    HD1  PHE  60          1HD       PHE  60  -7.216  -9.357  -1.179
  470    HD2  PHE  60          2HD       PHE  60  -8.950  -7.037  -4.300
  471    HE1  PHE  60          1HE       PHE  60  -7.549 -11.408  -2.498
  472    HE2  PHE  60          2HE       PHE  60  -9.275  -9.100  -5.632
  473    HZ   PHE  60           HZ       PHE  60  -8.580 -11.277  -4.729
  474    H    VAL  61           H        VAL  61  -6.958  -3.881  -2.256
  475    HA   VAL  61           HA       VAL  61  -5.963  -3.028   0.359
  476    HB   VAL  61           HB       VAL  61  -5.231  -1.108  -0.594
  477   1HG1  VAL  61          1HG1      VAL  61  -3.679  -1.961  -1.872
  478   2HG1  VAL  61          2HG1      VAL  61  -4.831  -2.164  -3.192
  479   3HG1  VAL  61          3HG1      VAL  61  -4.642  -3.432  -1.982
  480   1HG2  VAL  61          1HG2      VAL  61  -6.092  -0.564  -3.070
  481   2HG2  VAL  61          2HG2      VAL  61  -6.867   0.062  -1.617
  482   3HG2  VAL  61          3HG2      VAL  61  -7.515  -1.368  -2.410
  483    H    TYR  62           H        TYR  62  -7.361  -2.348   1.820
  484    HA   TYR  62           HA       TYR  62 -10.028  -1.546   0.963
  485   1HB   TYR  62          1HB       TYR  62  -9.103  -2.639   3.612
  486   2HB   TYR  62          1HB       TYR  62 -10.751  -2.152   3.247
  487    HD1  TYR  62          1HD       TYR  62 -12.194  -3.877   2.808
  488    HD2  TYR  62          2HD       TYR  62  -8.121  -4.293   1.636
  489    HE1  TYR  62          1HE       TYR  62 -12.679  -6.121   1.930
  490    HE2  TYR  62          2HE       TYR  62  -8.594  -6.533   0.780
  491    HH   TYR  62           HH       TYR  62 -10.157  -8.268   0.844
  492    H    THR  63           H        THR  63 -10.230   0.508   0.798
  493    HA   THR  63           HA       THR  63  -9.348   2.293   2.990
  494    HB   THR  63           HB       THR  63  -8.323   3.357   1.186
  495    HG1  THR  63          1HG       THR  63  -9.567   4.935   1.737
  496   1HG2  THR  63          1HG2      THR  63  -9.143   3.398  -1.092
  497   2HG2  THR  63          2HG2      THR  63 -10.587   2.506  -0.611
  498   3HG2  THR  63          3HG2      THR  63  -9.008   1.730  -0.537
  499    HA   PRO  64           HA       PRO  64 -13.591   3.213   3.874
  500   1HB   PRO  64          1HB       PRO  64 -13.070   6.102   3.886
  501   2HB   PRO  64          1HB       PRO  64 -13.544   5.044   5.213
  502   1HG   PRO  64          1HG       PRO  64 -11.062   6.152   4.942
  503   2HG   PRO  64          1HG       PRO  64 -11.387   4.654   5.830
  504   1HD   PRO  64          1HD       PRO  64 -10.137   5.059   3.189
  505   2HD   PRO  64          1HD       PRO  64  -9.919   3.740   4.348
  506    H    ALA  65           H        ALA  65 -15.397   3.677   2.842
  507    HA   ALA  65           HA       ALA  65 -15.347   4.733   0.187
  508   1HB   ALA  65          1HB       ALA  65 -17.676   3.736   0.095
  509   2HB   ALA  65          2HB       ALA  65 -17.295   3.018   1.659
  510   3HB   ALA  65          3HB       ALA  65 -16.333   2.607   0.246
  511    H    MET  66           H        MET  66 -15.058   6.798   1.782
  512    HA   MET  66           HA       MET  66 -17.723   7.933   2.247
  513   1HB   MET  66          1HB       MET  66 -15.151   8.172   3.569
  514   2HB   MET  66          1HB       MET  66 -15.825   9.750   3.180
  515   1HG   MET  66          1HG       MET  66 -17.736   9.370   4.482
  516   2HG   MET  66          1HG       MET  66 -17.415   7.640   4.595
  517   1HE   MET  66          1HE       MET  66 -16.273   6.725   7.069
  518   2HE   MET  66          2HE       MET  66 -14.599   7.267   7.046
  519   3HE   MET  66          3HE       MET  66 -15.357   6.684   5.564
  520    H    GLU  67           H        GLU  67 -17.814  10.375   1.816
  521    HA   GLU  67           HA       GLU  67 -17.620  10.822  -0.910
  522   1HB   GLU  67          1HB       GLU  67 -17.902  13.282  -0.286
  523   2HB   GLU  67          1HB       GLU  67 -19.148  12.169   0.250
  524   1HG   GLU  67          1HG       GLU  67 -16.905  12.835   2.097
  525   2HG   GLU  67          1HG       GLU  67 -18.203  13.996   1.854
  526    H    SER  68           H        SER  68 -15.851  13.119   1.127
  527    HA   SER  68           HA       SER  68 -13.624  12.979  -0.747
  528   1HB   SER  68          1HB       SER  68 -14.172  14.983   1.459
  529   2HB   SER  68          1HB       SER  68 -12.921  15.110   0.222
  530    HG   SER  68           HG       SER  68 -15.559  14.778  -0.632
  531    H    VAL  69           H        VAL  69 -13.755  10.776   0.801
  532    HA   VAL  69           HA       VAL  69 -12.118  11.036   3.162
  533    HB   VAL  69           HB       VAL  69 -13.989   9.409   2.907
  534   1HG1  VAL  69          1HG1      VAL  69 -12.936   7.188   1.786
  535   2HG1  VAL  69          2HG1      VAL  69 -12.281   8.442   0.736
  536   3HG1  VAL  69          3HG1      VAL  69 -14.021   8.305   0.965
  537   1HG2  VAL  69          1HG2      VAL  69 -13.092   7.947   4.392
  538   2HG2  VAL  69          2HG2      VAL  69 -11.865   9.212   4.453
  539   3HG2  VAL  69          3HG2      VAL  69 -11.596   7.764   3.478
  540    H    CYS  70           H        CYS  70 -10.261   9.281   3.319
  541    HA   CYS  70           HA       CYS  70  -8.500   9.847   1.068
  542   1HB   CYS  70          1HB       CYS  70  -6.970   8.534   2.985
  543   2HB   CYS  70          1HB       CYS  70  -7.013  10.261   2.695
  544    H    GLY  71           H        GLY  71 -10.202   8.243   0.252
  545   1HA   GLY  71          2HA       GLY  71 -10.110   5.561   0.468
  546   2HA   GLY  71          1HA       GLY  71 -10.374   6.383  -1.049
  547    H    TYR  72           H        TYR  72  -8.996   6.090  -2.551
  548    HA   TYR  72           HA       TYR  72  -6.203   5.854  -2.235
  549   1HB   TYR  72          1HB       TYR  72  -7.012   3.609  -1.489
  550   2HB   TYR  72          1HB       TYR  72  -7.638   3.357  -3.113
  551    HD1  TYR  72          1HD       TYR  72  -6.133   2.929  -4.967
  552    HD2  TYR  72          2HD       TYR  72  -4.652   3.606  -1.048
  553    HE1  TYR  72          1HE       TYR  72  -3.963   1.989  -5.636
  554    HE2  TYR  72          2HE       TYR  72  -2.482   2.668  -1.691
  555    HH   TYR  72           HH       TYR  72  -1.171   2.291  -3.822
  556    H    PHE  73           H        PHE  73  -6.532   7.598  -3.788
  557    HA   PHE  73           HA       PHE  73  -7.783   7.186  -6.242
  558   1HB   PHE  73          1HB       PHE  73  -5.965   9.218  -5.122
  559   2HB   PHE  73          1HB       PHE  73  -5.959   9.103  -6.878
  560    HD1  PHE  73          1HD       PHE  73  -8.254   9.459  -3.976
  561    HD2  PHE  73          2HD       PHE  73  -7.597  10.168  -8.120
  562    HE1  PHE  73          1HE       PHE  73 -10.306  10.814  -4.065
  563    HE2  PHE  73          2HE       PHE  73  -9.646  11.523  -8.218
  564    HZ   PHE  73           HZ       PHE  73 -11.004  11.849  -6.188
  565    H    HIS  74           H        HIS  74  -7.222   5.287  -7.116
  566    HA   HIS  74           HA       HIS  74  -4.455   4.905  -7.993
  567   1HB   HIS  74          1HB       HIS  74  -5.184   2.961  -6.950
  568   2HB   HIS  74          1HB       HIS  74  -6.807   3.087  -7.611
  569    HD1  HIS  74          1HD       HIS  74  -7.169   1.147  -9.105
  570    HD2  HIS  74          2HD       HIS  74  -3.317   2.661  -9.463
  571    HE1  HIS  74          1HE       HIS  74  -6.065  -0.240 -10.889
  572    HE2  HIS  74          2HE       HIS  74  -3.750   0.726 -11.125
  573    H    ARG  75           H        ARG  75  -4.121   6.021  -9.770
  574    HA   ARG  75           HA       ARG  75  -5.987   5.777 -12.026
  575   1HB   ARG  75          1HB       ARG  75  -4.896   7.921 -12.810
  576   2HB   ARG  75          1HB       ARG  75  -5.876   8.056 -11.357
  577   1HG   ARG  75          1HG       ARG  75  -2.979   7.539 -10.998
  578   2HG   ARG  75          1HG       ARG  75  -3.462   9.142 -11.555
  579   1HD   ARG  75          1HD       ARG  75  -4.782   9.519  -9.630
  580   2HD   ARG  75          1HD       ARG  75  -4.701   7.825  -9.152
  581    HE   ARG  75           HE       ARG  75  -2.814   9.868  -8.539
  582   1HH1  ARG  75          1HH1      ARG  75  -3.046   6.459  -9.226
  583   2HH1  ARG  75          2HH1      ARG  75  -1.654   6.043  -8.298
  584   1HH2  ARG  75          1HH2      ARG  75  -0.967   9.316  -7.317
  585   2HH2  ARG  75          2HH2      ARG  75  -0.473   7.658  -7.221
  586    H    SER  76           H        SER  76  -4.101   3.747 -11.566
  587    HA   SER  76           HA       SER  76  -2.181   4.219 -13.751
  588   1HB   SER  76          1HB       SER  76  -1.858   2.584 -11.229
  589   2HB   SER  76          1HB       SER  76  -0.771   2.434 -12.609
  590    HG   SER  76           HG       SER  76  -0.239   4.000 -10.844
  591    H    HIS  77           H        HIS  77  -3.255   3.385 -15.457
  592    HA   HIS  77           HA       HIS  77  -4.881   1.089 -15.454
  593   1HB   HIS  77          1HB       HIS  77  -3.361   2.385 -17.727
  594   2HB   HIS  77          1HB       HIS  77  -4.628   1.178 -17.924
  595    HD1  HIS  77          1HD       HIS  77  -7.062   1.944 -17.548
  596    HD2  HIS  77          2HD       HIS  77  -4.246   4.963 -17.084
  597    HE1  HIS  77          1HE       HIS  77  -8.376   4.088 -17.511
  598    HE2  HIS  77          2HE       HIS  77  -6.654   5.900 -17.189
  599    H    ASN  78           H        ASN  78  -1.481   1.522 -15.688
  600    HA   ASN  78           HA       ASN  78  -0.738  -0.879 -16.932
  601   1HB   ASN  78          1HB       ASN  78   0.616   1.295 -16.145
  602   2HB   ASN  78          1HB       ASN  78   1.031   0.222 -14.814
  603   1HD2  ASN  78          1HD2      ASN  78   1.522  -2.112 -15.752
  604   2HD2  ASN  78          2HD2      ASN  78   2.711  -2.118 -17.001
  605    H    ARG  79           H        ARG  79  -1.599  -2.785 -16.198
  606    HA   ARG  79           HA       ARG  79  -1.852  -3.372 -13.399
  607   1HB   ARG  79          1HB       ARG  79  -2.386  -4.978 -15.898
  608   2HB   ARG  79          1HB       ARG  79  -2.653  -5.606 -14.278
  609   1HG   ARG  79          1HG       ARG  79  -4.732  -4.822 -14.552
  610   2HG   ARG  79          1HG       ARG  79  -4.015  -3.258 -14.160
  611   1HD   ARG  79          1HD       ARG  79  -4.766  -2.540 -16.128
  612   2HD   ARG  79          1HD       ARG  79  -3.547  -3.563 -16.879
  613    HE   ARG  79           HE       ARG  79  -5.254  -5.289 -17.073
  614   1HH1  ARG  79          1HH1      ARG  79  -6.387  -2.039 -16.417
  615   2HH1  ARG  79          2HH1      ARG  79  -7.966  -2.336 -17.057
  616   1HH2  ARG  79          1HH2      ARG  79  -7.333  -5.660 -17.913
  617   2HH2  ARG  79          2HH2      ARG  79  -8.503  -4.382 -17.903
  618    H    SER  80           H        SER  80   0.610  -3.664 -15.654
  619    HA   SER  80           HA       SER  80   1.965  -5.834 -14.206
  620   1HB   SER  80          1HB       SER  80   3.574  -5.705 -16.178
  621   2HB   SER  80          1HB       SER  80   1.935  -6.227 -16.567
  622    HG   SER  80           HG       SER  80   1.963  -4.643 -17.942
  623    H    GLU  81           H        GLU  81   1.719  -2.562 -14.029
  624    HA   GLU  81           HA       GLU  81   4.559  -2.066 -13.599
  625   1HB   GLU  81          1HB       GLU  81   2.783  -0.353 -14.497
  626   2HB   GLU  81          1HB       GLU  81   2.492  -0.065 -12.787
  627   1HG   GLU  81          1HG       GLU  81   4.077   1.540 -13.527
  628   2HG   GLU  81          1HG       GLU  81   4.936   0.369 -12.526
  629    H    GLU  82           H        GLU  82   5.578  -2.293 -11.706
  630    HA   GLU  82           HA       GLU  82   4.292  -3.364  -9.432
  631   1HB   GLU  82          1HB       GLU  82   7.098  -2.339  -9.861
  632   2HB   GLU  82          1HB       GLU  82   6.556  -3.110  -8.373
  633   1HG   GLU  82          1HG       GLU  82   6.299  -5.180  -9.384
  634   2HG   GLU  82          1HG       GLU  82   6.210  -4.485 -11.001
  635    H    PHE  83           H        PHE  83   4.776  -2.326  -7.144
  636    HA   PHE  83           HA       PHE  83   4.704   0.519  -7.128
  637   1HB   PHE  83          1HB       PHE  83   2.182  -0.995  -6.931
  638   2HB   PHE  83          1HB       PHE  83   2.411   0.272  -5.737
  639    HD1  PHE  83          1HD       PHE  83   1.991  -0.451  -9.318
  640    HD2  PHE  83          2HD       PHE  83   2.467   2.566  -6.356
  641    HE1  PHE  83          1HE       PHE  83   1.326   1.254 -10.952
  642    HE2  PHE  83          2HE       PHE  83   1.788   4.271  -7.984
  643    HZ   PHE  83           HZ       PHE  83   1.231   3.619 -10.285
  644    H    LEU  84           H        LEU  84   4.005   1.269  -4.926
  645    HA   LEU  84           HA       LEU  84   5.227  -0.411  -2.814
  646   1HB   LEU  84          1HB       LEU  84   6.735   1.455  -3.540
  647   2HB   LEU  84          1HB       LEU  84   5.520   2.595  -3.000
  648    HG   LEU  84           HG       LEU  84   7.498   2.155  -1.453
  649   1HD1  LEU  84          1HD1      LEU  84   5.435   3.322  -0.802
  650   2HD1  LEU  84          2HD1      LEU  84   6.142   2.398   0.524
  651   3HD1  LEU  84          3HD1      LEU  84   4.731   1.776  -0.328
  652   1HD2  LEU  84          1HD2      LEU  84   5.925  -0.297  -0.713
  653   2HD2  LEU  84          2HD2      LEU  84   7.473   0.236  -0.065
  654   3HD2  LEU  84          3HD2      LEU  84   7.367  -0.344  -1.727
  655    H    ILE  85           H        ILE  85   3.929  -0.766  -1.110
  656    HA   ILE  85           HA       ILE  85   1.680   1.118  -0.736
  657    HB   ILE  85           HB       ILE  85   1.549  -1.891  -0.527
  658   1HG1  ILE  85          1HG1      ILE  85   1.769  -1.015  -2.844
  659   2HG1  ILE  85          1HG1      ILE  85   0.235  -1.826  -2.552
  660   1HG2  ILE  85          1HG2      ILE  85  -0.664  -1.741   0.066
  661   2HG2  ILE  85          2HG2      ILE  85  -0.840  -0.101  -0.552
  662   3HG2  ILE  85          3HG2      ILE  85   0.028  -0.388   0.956
  663   1HD1  ILE  85          1HD1      ILE  85   0.804   1.004  -3.146
  664   2HD1  ILE  85          2HD1      ILE  85  -0.505   0.676  -2.010
  665   3HD1  ILE  85          3HD1      ILE  85  -0.550  -0.014  -3.632
  666    H    ALA  86           H        ALA  86   1.908   2.077   1.068
  667    HA   ALA  86           HA       ALA  86   2.819   0.712   3.559
  668   1HB   ALA  86          1HB       ALA  86   3.490   2.733   4.450
  669   2HB   ALA  86          2HB       ALA  86   2.301   3.656   3.531
  670   3HB   ALA  86          3HB       ALA  86   3.760   3.059   2.739
  671    H    GLY  87           H        GLY  87   1.181  -0.072   4.737
  672   1HA   GLY  87          2HA       GLY  87  -1.090   1.452   5.539
  673   2HA   GLY  87          1HA       GLY  87  -1.550   0.272   4.323
  674    H    LYS  88           H        LYS  88  -2.384   0.409   7.140
  675    HA   LYS  88           HA       LYS  88  -1.148  -1.861   8.475
  676   1HB   LYS  88          1HB       LYS  88  -1.563  -0.071   9.930
  677   2HB   LYS  88          1HB       LYS  88  -3.101   0.300   9.191
  678   1HG   LYS  88          1HG       LYS  88  -2.902  -0.732  11.595
  679   2HG   LYS  88          1HG       LYS  88  -4.246  -1.119  10.530
  680   1HD   LYS  88          1HD       LYS  88  -3.572  -3.270  10.269
  681   2HD   LYS  88          1HD       LYS  88  -1.865  -2.887  10.434
  682   1HE   LYS  88          1HE       LYS  88  -2.219  -3.957  12.426
  683   2HE   LYS  88          1HE       LYS  88  -2.605  -2.304  12.904
  684   1HZ   LYS  88          1HZ       LYS  88  -4.395  -4.585  12.488
  685   2HZ   LYS  88          2HZ       LYS  88  -4.987  -3.040  12.140
  686   3HZ   LYS  88          3HZ       LYS  88  -4.423  -3.398  13.694
  687    H    LEU  89           H        LEU  89  -2.124  -3.847   8.793
  688    HA   LEU  89           HA       LEU  89  -4.370  -4.491   7.045
  689   1HB   LEU  89          1HB       LEU  89  -2.411  -6.086   8.614
  690   2HB   LEU  89          1HB       LEU  89  -3.944  -6.835   8.236
  691    HG   LEU  89           HG       LEU  89  -1.905  -5.827   6.255
  692   1HD1  LEU  89          1HD1      LEU  89  -2.982  -8.601   6.714
  693   2HD1  LEU  89          2HD1      LEU  89  -1.457  -8.011   7.372
  694   3HD1  LEU  89          3HD1      LEU  89  -1.681  -8.123   5.629
  695   1HD2  LEU  89          1HD2      LEU  89  -4.668  -5.946   5.930
  696   2HD2  LEU  89          2HD2      LEU  89  -4.021  -7.353   5.100
  697   3HD2  LEU  89          3HD2      LEU  89  -3.445  -5.746   4.683
  698    H    GLN  90           H        GLN  90  -6.376  -4.770   7.579
  699    HA   GLN  90           HA       GLN  90  -7.150  -4.831  10.417
  700   1HB   GLN  90          1HB       GLN  90  -8.117  -3.192   8.449
  701   2HB   GLN  90          1HB       GLN  90  -9.356  -4.438   8.548
  702   1HG   GLN  90          1HG       GLN  90 -10.122  -2.918  10.082
  703   2HG   GLN  90          1HG       GLN  90  -9.185  -3.999  11.112
  704   1HE2  GLN  90          1HE2      GLN  90  -7.033  -3.328  11.712
  705   2HE2  GLN  90          2HE2      GLN  90  -6.662  -1.645  11.830
  706    H    ASP  91           H        ASP  91  -7.658  -6.718  11.268
  707    HA   ASP  91           HA       ASP  91  -7.989  -9.000  11.321
  708   1HB   ASP  91          1HB       ASP  91 -10.417  -7.627  10.324
  709   2HB   ASP  91          1HB       ASP  91 -10.410  -9.385  10.211
  710    H    GLY  92           H        GLY  92  -6.509  -8.160   8.929
  711   1HA   GLY  92          2HA       GLY  92  -5.747 -10.121   7.543
  712   2HA   GLY  92          1HA       GLY  92  -7.435 -10.253   7.073
  713    H    LEU  93           H        LEU  93  -8.287  -7.924   6.450
  714    HA   LEU  93           HA       LEU  93  -7.159  -7.421   3.949
  715   1HB   LEU  93          1HB       LEU  93  -9.238  -5.832   5.442
  716   2HB   LEU  93          1HB       LEU  93  -8.961  -5.805   3.718
  717    HG   LEU  93           HG       LEU  93 -10.861  -7.121   3.943
  718   1HD1  LEU  93          1HD1      LEU  93  -9.914  -9.584   3.783
  719   2HD1  LEU  93          2HD1      LEU  93  -8.390  -8.724   3.603
  720   3HD1  LEU  93          3HD1      LEU  93  -9.709  -8.417   2.484
  721   1HD2  LEU  93          1HD2      LEU  93 -11.448  -8.392   5.719
  722   2HD2  LEU  93          2HD2      LEU  93 -10.258  -7.373   6.527
  723   3HD2  LEU  93          3HD2      LEU  93  -9.809  -8.988   5.979
  724    H    LEU  94           H        LEU  94  -6.104  -5.833   3.079
  725    HA   LEU  94           HA       LEU  94  -4.470  -4.162   4.692
  726   1HB   LEU  94          1HB       LEU  94  -3.717  -5.107   2.547
  727   2HB   LEU  94          1HB       LEU  94  -4.907  -4.127   1.714
  728    HG   LEU  94           HG       LEU  94  -3.764  -2.086   2.489
  729   1HD1  LEU  94          1HD1      LEU  94  -1.249  -2.924   3.230
  730   2HD1  LEU  94          2HD1      LEU  94  -2.314  -4.021   4.108
  731   3HD1  LEU  94          3HD1      LEU  94  -2.486  -2.279   4.307
  732   1HD2  LEU  94          1HD2      LEU  94  -1.818  -3.936   1.142
  733   2HD2  LEU  94          2HD2      LEU  94  -1.978  -2.193   0.954
  734   3HD2  LEU  94          3HD2      LEU  94  -3.229  -3.263   0.327
  735    H    HIS  95           H        HIS  95  -4.336  -1.907   4.580
  736    HA   HIS  95           HA       HIS  95  -6.777  -0.522   3.755
  737   1HB   HIS  95          1HB       HIS  95  -5.539  -0.418   6.502
  738   2HB   HIS  95          1HB       HIS  95  -6.547   0.890   5.888
  739    HD1  HIS  95          1HD       HIS  95  -8.771   0.678   6.946
  740    HD2  HIS  95          2HD       HIS  95  -7.223  -3.024   5.867
  741    HE1  HIS  95          1HE       HIS  95 -10.577  -0.991   7.472
  742    HE2  HIS  95          2HE       HIS  95  -9.572  -3.229   6.912
  743    H    ILE  96           H        ILE  96  -6.471   1.363   2.848
  744    HA   ILE  96           HA       ILE  96  -3.820   2.599   3.029
  745    HB   ILE  96           HB       ILE  96  -4.101   2.997   0.442
  746   1HG1  ILE  96          1HG1      ILE  96  -5.108   1.279  -0.796
  747   2HG1  ILE  96          1HG1      ILE  96  -5.160   0.191   0.584
  748   1HG2  ILE  96          1HG2      ILE  96  -2.502   1.302   0.072
  749   2HG2  ILE  96          2HG2      ILE  96  -3.085   0.367   1.447
  750   3HG2  ILE  96          3HG2      ILE  96  -2.255   1.900   1.712
  751   1HD1  ILE  96          1HD1      ILE  96  -6.775   2.669   0.607
  752   2HD1  ILE  96          2HD1      ILE  96  -7.079   1.119   1.402
  753   3HD1  ILE  96          3HD1      ILE  96  -7.311   1.289  -0.338
  754    H    THR  97           H        THR  97  -3.715   4.775   2.292
  755    HA   THR  97           HA       THR  97  -6.250   6.090   1.779
  756    HB   THR  97           HB       THR  97  -5.502   7.770   3.669
  757    HG1  THR  97          1HG       THR  97  -4.499   6.596   5.390
  758   1HG2  THR  97          1HG2      THR  97  -7.581   6.656   3.923
  759   2HG2  THR  97          2HG2      THR  97  -6.674   6.418   5.416
  760   3HG2  THR  97          3HG2      THR  97  -6.785   5.113   4.236
  761    H    THR  98           H        THR  98  -6.072   8.164   0.925
  762    HA   THR  98           HA       THR  98  -3.787   8.625  -0.662
  763    HB   THR  98           HB       THR  98  -4.897  10.666  -1.363
  764    HG1  THR  98          1HG       THR  98  -6.743  10.168   0.726
  765   1HG2  THR  98          1HG2      THR  98  -6.404   9.563  -2.549
  766   2HG2  THR  98          2HG2      THR  98  -7.351   9.178  -1.111
  767   3HG2  THR  98          3HG2      THR  98  -6.003   8.141  -1.585
  768    H    CYS  99           H        CYS  99  -4.151   9.075   2.566
  769    HA   CYS  99           HA       CYS  99  -2.234  11.301   2.680
  770   1HB   CYS  99          1HB       CYS  99  -4.609  11.269   3.929
  771   2HB   CYS  99          1HB       CYS  99  -3.668  10.386   5.117
  772    H    SER 100           H        SER 100  -1.898   8.380   2.170
  773    HA   SER 100           HA       SER 100  -0.016   7.790   4.352
  774   1HB   SER 100          1HB       SER 100  -2.047   6.275   4.289
  775   2HB   SER 100          1HB       SER 100  -1.504   5.732   2.701
  776    HG   SER 100           HG       SER 100  -0.206   5.422   5.196
  777    H    PHE 101           H        PHE 101   1.876   6.530   3.630
  778    HA   PHE 101           HA       PHE 101   2.851   7.556   1.148
  779   1HB   PHE 101          1HB       PHE 101   4.295   7.087   3.155
  780   2HB   PHE 101          1HB       PHE 101   4.179   5.377   2.745
  781    HD1  PHE 101          1HD       PHE 101   6.061   8.294   2.341
  782    HD2  PHE 101          2HD       PHE 101   4.782   4.834   0.228
  783    HE1  PHE 101          1HE       PHE 101   7.918   8.585   0.758
  784    HE2  PHE 101          2HE       PHE 101   6.642   5.114  -1.361
  785    HZ   PHE 101           HZ       PHE 101   8.212   6.993  -1.097
  786    H    VAL 102           H        VAL 102   2.015   6.802  -0.706
  787    HA   VAL 102           HA       VAL 102   2.192   3.936  -1.232
  788    HB   VAL 102           HB       VAL 102  -0.381   5.343  -1.886
  789   1HG1  VAL 102          1HG1      VAL 102   0.713   2.868  -2.553
  790   2HG1  VAL 102          2HG1      VAL 102  -0.933   3.435  -2.824
  791   3HG1  VAL 102          3HG1      VAL 102  -0.546   2.530  -1.362
  792   1HG2  VAL 102          1HG2      VAL 102  -0.911   5.412   0.284
  793   2HG2  VAL 102          2HG2      VAL 102   0.463   4.412   0.744
  794   3HG2  VAL 102          3HG2      VAL 102  -1.022   3.657   0.189
  795    H    ALA 103           H        ALA 103   3.552   4.045  -2.956
  796    HA   ALA 103           HA       ALA 103   2.542   5.193  -5.419
  797   1HB   ALA 103          1HB       ALA 103   4.929   6.399  -4.045
  798   2HB   ALA 103          2HB       ALA 103   3.437   7.198  -4.533
  799   3HB   ALA 103          3HB       ALA 103   4.576   6.641  -5.753
  800    HA   PRO 104           HA       PRO 104   4.945   2.240  -7.689
  801   1HB   PRO 104          1HB       PRO 104   6.604   4.425  -8.834
  802   2HB   PRO 104          1HB       PRO 104   5.781   3.092  -9.653
  803   1HG   PRO 104          1HG       PRO 104   4.738   5.527  -9.734
  804   2HG   PRO 104          1HG       PRO 104   3.679   4.131  -9.464
  805   1HD   PRO 104          1HD       PRO 104   4.703   6.145  -7.500
  806   2HD   PRO 104          1HD       PRO 104   3.101   5.393  -7.592
  807    H    TRP 105           H        TRP 105   6.447   0.939  -6.903
  808    HA   TRP 105           HA       TRP 105   8.542   1.667  -5.234
  809   1HB   TRP 105          1HB       TRP 105   7.790  -0.659  -5.685
  810   2HB   TRP 105          1HB       TRP 105   8.501  -0.570  -7.265
  811    HD1  TRP 105           HD       TRP 105  10.843  -1.452  -7.454
  812    HE1  TRP 105          1HE       TRP 105  12.718  -2.044  -5.826
  813    HE3  TRP 105          3HE       TRP 105   8.729   0.228  -3.098
  814    HZ2  TRP 105          2HZ       TRP 105  13.246  -1.841  -3.068
  815    HZ3  TRP 105          3HZ       TRP 105  10.010  -0.016  -1.002
  816    HH2  TRP 105           HH       TRP 105  12.226  -1.033  -1.007
  817    H    ASN 106           H        ASN 106   8.267   1.097  -8.627
  818    HA   ASN 106           HA       ASN 106  10.773   1.608  -9.442
  819   1HB   ASN 106          1HB       ASN 106   8.202   1.912 -10.929
  820   2HB   ASN 106          1HB       ASN 106   9.775   2.049 -11.709
  821   1HD2  ASN 106          1HD2      ASN 106  11.284   0.149 -11.046
  822   2HD2  ASN 106          2HD2      ASN 106  10.573  -1.419 -11.189
  823    H    SER 107           H        SER 107   9.535   3.773  -7.715
  824    HA   SER 107           HA       SER 107  10.589   6.017  -9.263
  825   1HB   SER 107          1HB       SER 107   8.055   5.929  -7.665
  826   2HB   SER 107          1HB       SER 107   8.943   7.447  -7.804
  827    HG   SER 107           HG       SER 107   7.617   7.481  -9.517
  828    H    LEU 108           H        LEU 108  10.813   4.095  -6.711
  829    HA   LEU 108           HA       LEU 108  11.718   5.758  -4.625
  830   1HB   LEU 108          1HB       LEU 108  11.684   2.894  -5.265
  831   2HB   LEU 108          1HB       LEU 108  12.898   3.386  -4.108
  832    HG   LEU 108           HG       LEU 108  11.218   2.766  -2.706
  833   1HD1  LEU 108          1HD1      LEU 108  11.514   4.847  -1.850
  834   2HD1  LEU 108          2HD1      LEU 108   9.781   4.862  -2.163
  835   3HD1  LEU 108          3HD1      LEU 108  10.882   5.661  -3.275
  836   1HD2  LEU 108          1HD2      LEU 108   9.431   3.490  -4.948
  837   2HD2  LEU 108          2HD2      LEU 108   8.767   3.452  -3.314
  838   3HD2  LEU 108          3HD2      LEU 108   9.532   2.014  -3.989
  839    H    SER 109           H        SER 109  13.740   5.786  -3.741
  840    HA   SER 109           HA       SER 109  15.934   6.237  -5.588
  841   1HB   SER 109          1HB       SER 109  16.218   5.985  -2.604
  842   2HB   SER 109          1HB       SER 109  17.141   6.986  -3.718
  843    HG   SER 109           HG       SER 109  14.644   7.425  -2.557
  844    H    LEU 110           H        LEU 110  17.777   5.129  -5.584
  845    HA   LEU 110           HA       LEU 110  17.479   2.342  -5.726
  846   1HB   LEU 110          1HB       LEU 110  20.058   2.537  -5.916
  847   2HB   LEU 110          1HB       LEU 110  19.012   3.129  -7.165
  848    HG   LEU 110           HG       LEU 110  21.046   4.510  -6.222
  849   1HD1  LEU 110          1HD1      LEU 110  19.654   6.571  -7.003
  850   2HD1  LEU 110          2HD1      LEU 110  18.507   5.315  -7.471
  851   3HD1  LEU 110          3HD1      LEU 110  20.140   5.312  -8.139
  852   1HD2  LEU 110          1HD2      LEU 110  18.781   5.595  -4.631
  853   2HD2  LEU 110          2HD2      LEU 110  20.356   6.343  -4.837
  854   3HD2  LEU 110          3HD2      LEU 110  20.225   4.806  -3.987
  855    H    ALA 111           H        ALA 111  18.589   4.494  -3.321
  856    HA   ALA 111           HA       ALA 111  19.641   2.435  -1.665
  857   1HB   ALA 111          1HB       ALA 111  20.646   4.098  -0.488
  858   2HB   ALA 111          2HB       ALA 111  19.244   5.164  -0.619
  859   3HB   ALA 111          3HB       ALA 111  20.349   4.984  -1.988
  860    H    GLN 112           H        GLN 112  16.819   4.460  -2.037
  861    HA   GLN 112           HA       GLN 112  15.621   3.547   0.405
  862   1HB   GLN 112          1HB       GLN 112  15.385   5.884  -0.424
  863   2HB   GLN 112          1HB       GLN 112  14.563   5.266  -1.847
  864   1HG   GLN 112          1HG       GLN 112  12.747   4.449  -0.472
  865   2HG   GLN 112          1HG       GLN 112  13.584   4.995   0.977
  866   1HE2  GLN 112          1HE2      GLN 112  10.963   5.778  -0.247
  867   2HE2  GLN 112          2HE2      GLN 112  11.036   7.491  -0.383
  868    H    ARG 113           H        ARG 113  16.216   2.276  -2.478
  869    HA   ARG 113           HA       ARG 113  13.715   0.858  -2.794
  870   1HB   ARG 113          1HB       ARG 113  15.769   1.460  -4.578
  871   2HB   ARG 113          1HB       ARG 113  16.065  -0.223  -4.169
  872   1HG   ARG 113          1HG       ARG 113  14.625  -0.637  -5.830
  873   2HG   ARG 113          1HG       ARG 113  13.420  -0.267  -4.610
  874   1HD   ARG 113          1HD       ARG 113  12.671   1.423  -5.788
  875   2HD   ARG 113          1HD       ARG 113  14.282   2.175  -5.766
  876    HE   ARG 113           HE       ARG 113  13.035   0.922  -7.971
  877   1HH1  ARG 113          1HH1      ARG 113  16.146   1.193  -6.422
  878   2HH1  ARG 113          2HH1      ARG 113  17.038   0.890  -7.873
  879   1HH2  ARG 113          1HH2      ARG 113  14.206   0.514  -9.882
  880   2HH2  ARG 113          2HH2      ARG 113  15.937   0.503  -9.837
  881    H    ARG 114           H        ARG 114  17.060   0.610  -1.635
  882    HA   ARG 114           HA       ARG 114  16.588  -2.071  -0.656
  883   1HB   ARG 114          1HB       ARG 114  18.787  -2.179  -0.007
  884   2HB   ARG 114          1HB       ARG 114  18.905  -1.019  -1.318
  885   1HG   ARG 114          1HG       ARG 114  20.244  -0.142   0.355
  886   2HG   ARG 114          1HG       ARG 114  18.742   0.749   0.543
  887   1HD   ARG 114          1HD       ARG 114  18.100  -0.530   2.418
  888   2HD   ARG 114          1HD       ARG 114  19.293  -1.758   2.074
  889    HE   ARG 114           HE       ARG 114  19.706   0.682   3.522
  890   1HH1  ARG 114          1HH1      ARG 114  21.274  -1.762   1.595
  891   2HH1  ARG 114          2HH1      ARG 114  22.835  -1.475   2.285
  892   1HH2  ARG 114          1HH2      ARG 114  21.740   1.057   4.435
  893   2HH2  ARG 114          2HH2      ARG 114  23.102   0.129   3.901
  894    H    GLY 115           H        GLY 115  17.028   1.140   0.754
  895   1HA   GLY 115          2HA       GLY 115  16.843   0.645   3.390
  896   2HA   GLY 115          1HA       GLY 115  16.118   2.054   2.659
  897    H    PHE 116           H        PHE 116  14.062   0.521   1.128
  898    HA   PHE 116           HA       PHE 116  12.396   0.150   3.453
  899   1HB   PHE 116          1HB       PHE 116  11.899  -0.078   0.487
  900   2HB   PHE 116          1HB       PHE 116  10.720  -0.727   1.615
  901    HD1  PHE 116          1HD       PHE 116   9.940   0.941   3.457
  902    HD2  PHE 116          2HD       PHE 116  11.695   2.083  -0.224
  903    HE1  PHE 116          1HE       PHE 116   8.905   3.163   3.673
  904    HE2  PHE 116          2HE       PHE 116  10.681   4.305  -0.026
  905    HZ   PHE 116           HZ       PHE 116   9.284   4.856   1.925
  906    H    THR 117           H        THR 117  13.375  -1.863   0.758
  907    HA   THR 117           HA       THR 117  12.507  -4.275   1.629
  908    HB   THR 117           HB       THR 117  13.701  -3.639  -0.560
  909    HG1  THR 117          1HG       THR 117  13.215  -5.958   0.596
  910   1HG2  THR 117          1HG2      THR 117  15.962  -4.140  -0.823
  911   2HG2  THR 117          2HG2      THR 117  16.076  -4.879   0.775
  912   3HG2  THR 117          3HG2      THR 117  15.885  -3.140   0.621
  913    H    LYS 118           H        LYS 118  15.093  -2.492   3.050
  914    HA   LYS 118           HA       LYS 118  15.598  -4.809   4.785
  915   1HB   LYS 118          1HB       LYS 118  17.575  -5.080   3.798
  916   2HB   LYS 118          1HB       LYS 118  17.354  -3.625   2.848
  917   1HG   LYS 118          1HG       LYS 118  18.548  -2.326   4.320
  918   2HG   LYS 118          1HG       LYS 118  18.279  -3.421   5.680
  919   1HD   LYS 118          1HD       LYS 118  20.561  -3.644   5.026
  920   2HD   LYS 118          1HD       LYS 118  19.714  -5.102   4.504
  921   1HE   LYS 118          1HE       LYS 118  19.729  -2.973   2.510
  922   2HE   LYS 118          1HE       LYS 118  21.337  -3.545   2.933
  923   1HZ   LYS 118          1HZ       LYS 118  20.950  -5.564   2.027
  924   2HZ   LYS 118          2HZ       LYS 118  19.856  -4.688   1.081
  925   3HZ   LYS 118          3HZ       LYS 118  19.302  -5.567   2.416
  926    H    THR 119           H        THR 119  16.157  -1.364   4.402
  927    HA   THR 119           HA       THR 119  17.099  -1.129   7.112
  928    HB   THR 119           HB       THR 119  16.924   1.335   5.682
  929    HG1  THR 119          1HG       THR 119  18.176   0.633   3.906
  930   1HG2  THR 119          1HG2      THR 119  18.786   0.012   7.240
  931   2HG2  THR 119          2HG2      THR 119  19.066   1.502   6.334
  932   3HG2  THR 119          3HG2      THR 119  19.478  -0.065   5.617
  933    H    TYR 120           H        TYR 120  13.983  -0.240   5.748
  934    HA   TYR 120           HA       TYR 120  13.883   1.928   7.661
  935   1HB   TYR 120          1HB       TYR 120  11.848   1.145   5.601
  936   2HB   TYR 120          1HB       TYR 120  11.900   2.622   6.546
  937    HD1  TYR 120          1HD       TYR 120  11.937   2.264   3.486
  938    HD2  TYR 120          2HD       TYR 120  14.967   2.941   6.366
  939    HE1  TYR 120          1HE       TYR 120  13.297   3.359   1.765
  940    HE2  TYR 120          2HE       TYR 120  16.348   4.046   4.663
  941    HH   TYR 120           HH       TYR 120  15.231   5.181   1.844
  942    H    THR 121           H        THR 121  13.495  -1.034   8.524
  943    HA   THR 121           HA       THR 121  10.851  -0.671   9.727
  944    HB   THR 121           HB       THR 121  10.569  -2.849   9.572
  945    HG1  THR 121          1HG       THR 121  12.788  -3.991  10.517
  946   1HG2  THR 121          1HG2      THR 121  12.410  -2.380   7.708
  947   2HG2  THR 121          2HG2      THR 121  11.687  -3.964   7.993
  948   3HG2  THR 121          3HG2      THR 121  13.266  -3.576   8.682
  949    H    VAL 122           H        VAL 122  13.920  -0.338  10.258
  950    HA   VAL 122           HA       VAL 122  13.717   0.009  13.174
  951    HB   VAL 122           HB       VAL 122  16.382  -0.684  12.002
  952   1HG1  VAL 122          1HG1      VAL 122  16.961  -1.241  14.209
  953   2HG1  VAL 122          2HG1      VAL 122  15.274  -1.325  14.719
  954   3HG1  VAL 122          3HG1      VAL 122  16.006   0.235  14.347
  955   1HG2  VAL 122          1HG2      VAL 122  14.546  -2.782  13.125
  956   2HG2  VAL 122          2HG2      VAL 122  16.060  -2.997  12.246
  957   3HG2  VAL 122          3HG2      VAL 122  14.620  -2.439  11.396
  958    H    GLY 123           H        GLY 123  14.936   1.154  10.124
  959   1HA   GLY 123          2HA       GLY 123  15.854   3.637  11.426
  960   2HA   GLY 123          1HA       GLY 123  16.556   2.979   9.951
  961    H    CYS 124           H        CYS 124  13.197   2.891  10.574
  962    HA   CYS 124           HA       CYS 124  12.269   3.920   8.196
  963   1HB   CYS 124          1HB       CYS 124  10.146   4.273   9.514
  964   2HB   CYS 124          1HB       CYS 124  10.888   2.679   9.690
  965    H    GLU 125           H        GLU 125  14.084   5.776   8.328
  966    HA   GLU 125           HA       GLU 125  12.648   8.194   9.147
  967   1HB   GLU 125          1HB       GLU 125  15.365   8.862   9.227
  968   2HB   GLU 125          1HB       GLU 125  14.262   8.700  10.587
  969   1HG   GLU 125          1HG       GLU 125  14.827   6.187  10.445
  970   2HG   GLU 125          1HG       GLU 125  16.218   6.731   9.501
  971    H    GLU 126           H        GLU 126  12.134   7.450   6.706
  972    HA   GLU 126           HA       GLU 126  14.014   8.887   5.000
  973   1HB   GLU 126          1HB       GLU 126  12.210   6.596   4.543
  974   2HB   GLU 126          1HB       GLU 126  12.423   7.717   3.205
  975   1HG   GLU 126          1HG       GLU 126  14.681   6.393   4.676
  976   2HG   GLU 126          1HG       GLU 126  13.966   5.791   3.182