*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